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 1bvu_1_B DATA FIRST_RESID 3 DATA SEQUENCE QDPFEIAVKQ LERAAQYMDI SEEALEFLKR PQRIVEVSIP VEMDDGSVKV DATA SEQUENCE FTGFRVQYNW ARGPTKGGIR WHPEETLSTV KALAAWMTWK TAVMDLPYGG DATA SEQUENCE GKGGVICNPK EMSDREKERL ARGYVRAIYD VISPYTDIPA PDVYTNPQIM DATA SEQUENCE AWMMDEYETI SRRKDPSFGV ITGKPPSVGG IVARMDATAR GASYTVREAA DATA SEQUENCE KALGMDLKGK TIAIQGYGNA GYYMAKIMSE EYGMKVVAVS DTKGGIYNPD DATA SEQUENCE GLNADEVLAW KKKTGSVKDF PGATNITNEE LLELEVDVLA PSAIEEVITK DATA SEQUENCE KNADNIKAKI VAELANGPTT PEADEILYEK GILIIPDFLC NAGGVTVSYF DATA SEQUENCE EWVQNITGDY WTVEETRAKL DKKMTKAFWD VYNTHKEKNI NMRDAAYVVA DATA SEQUENCE VSRVYQAMKD RGWIKK 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 176.065 176.000 0.108 0.000 1.003 3 Q CA 0.000 55.884 55.803 0.136 0.000 1.022 3 Q CB 0.000 28.783 28.738 0.075 0.000 1.108 4 D N 0.530 120.960 120.400 0.050 0.000 2.958 4 D HA -0.233 4.407 4.640 -0.000 0.000 0.309 4 D C -1.100 175.217 176.300 0.029 0.000 1.093 4 D CA 3.514 57.529 54.000 0.025 0.000 1.071 4 D CB -0.655 40.149 40.800 0.006 0.000 1.220 4 D HN 0.458 nan 8.370 nan 0.000 0.496 5 P HA -0.136 nan 4.420 nan 0.000 0.218 5 P C 1.590 178.956 177.300 0.110 0.000 1.148 5 P CA 1.157 64.263 63.100 0.010 0.000 0.822 5 P CB -0.216 31.465 31.700 -0.033 0.000 0.784 6 F N 1.816 121.750 119.950 -0.028 0.000 2.039 6 F HA -0.083 4.444 4.527 -0.000 0.000 0.294 6 F C 2.209 178.035 175.800 0.043 0.000 1.130 6 F CA 1.152 59.160 58.000 0.014 0.000 1.189 6 F CB -1.180 37.829 39.000 0.015 0.000 0.983 6 F HN -0.112 nan 8.300 nan 0.000 0.471 7 E N 0.304 120.470 120.200 -0.056 0.000 2.136 7 E HA -0.287 4.063 4.350 -0.000 0.000 0.202 7 E C 2.385 178.928 176.600 -0.095 0.000 1.019 7 E CA 2.049 58.369 56.400 -0.133 0.000 0.819 7 E CB -0.373 29.299 29.700 -0.046 0.000 0.739 7 E HN 0.452 nan 8.360 nan 0.000 0.458 8 I N 0.707 121.260 120.570 -0.029 0.000 2.179 8 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 8 I C 2.622 178.767 176.117 0.045 0.000 1.088 8 I CA 0.948 62.245 61.300 -0.004 0.000 1.357 8 I CB -0.633 37.363 38.000 -0.007 0.000 1.051 8 I HN 0.123 nan 8.210 nan 0.000 0.409 9 A N 1.161 124.038 122.820 0.095 0.000 1.859 9 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 9 A C 2.428 180.115 177.584 0.172 0.000 1.198 9 A CA 2.543 54.757 52.037 0.294 0.000 0.629 9 A CB -1.228 17.990 19.000 0.364 0.000 0.830 9 A HN 0.248 nan 8.150 nan 0.000 0.446 10 V N 0.614 120.481 119.914 -0.079 0.000 2.250 10 V HA -0.398 3.722 4.120 -0.000 0.000 0.250 10 V C 2.449 178.504 176.094 -0.065 0.000 1.060 10 V CA 2.651 64.878 62.300 -0.121 0.000 1.030 10 V CB -1.068 30.570 31.823 -0.308 0.000 0.643 10 V HN 0.613 nan 8.190 nan 0.000 0.445 11 K N -0.334 120.025 120.400 -0.069 0.000 2.020 11 K HA -0.263 4.057 4.320 -0.000 0.000 0.212 11 K C 2.290 178.838 176.600 -0.087 0.000 1.050 11 K CA 1.807 58.054 56.287 -0.067 0.000 0.929 11 K CB -0.425 32.044 32.500 -0.051 0.000 0.714 11 K HN 0.506 nan 8.250 nan 0.000 0.443 12 Q N 0.822 120.589 119.800 -0.056 0.000 2.082 12 Q HA -0.245 4.095 4.340 -0.000 0.000 0.211 12 Q C 2.319 178.116 176.000 -0.338 0.000 1.002 12 Q CA 1.692 57.384 55.803 -0.184 0.000 0.868 12 Q CB -0.616 28.121 28.738 -0.003 0.000 0.931 12 Q HN 0.273 nan 8.270 nan 0.000 0.414 13 L N 1.354 122.451 121.223 -0.209 0.000 1.933 13 L HA -0.236 4.103 4.340 -0.000 0.000 0.220 13 L C 2.145 178.893 176.870 -0.203 0.000 1.078 13 L CA 2.101 56.796 54.840 -0.242 0.000 0.773 13 L CB -0.873 41.134 42.059 -0.086 0.000 0.890 13 L HN 0.224 nan 8.230 nan 0.000 0.434 14 E N -0.445 119.675 120.200 -0.135 0.000 2.136 14 E HA -0.392 3.958 4.350 -0.000 0.000 0.208 14 E C 2.211 178.729 176.600 -0.138 0.000 1.035 14 E CA 1.992 58.319 56.400 -0.121 0.000 0.838 14 E CB -0.495 29.147 29.700 -0.096 0.000 0.748 14 E HN 0.567 nan 8.360 nan 0.000 0.459 15 R N 1.206 121.621 120.500 -0.141 0.000 2.103 15 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 15 R C 2.368 178.624 176.300 -0.073 0.000 1.132 15 R CA 2.036 58.066 56.100 -0.116 0.000 0.925 15 R CB -0.544 29.698 30.300 -0.097 0.000 0.842 15 R HN 0.161 nan 8.270 nan 0.000 0.430 16 A N 0.668 123.433 122.820 -0.092 0.000 1.978 16 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 16 A C 2.455 180.057 177.584 0.029 0.000 1.170 16 A CA 1.782 53.854 52.037 0.058 0.000 0.636 16 A CB -0.977 17.960 19.000 -0.105 0.000 0.810 16 A HN 0.683 nan 8.150 nan 0.000 0.448 17 A N 0.543 123.302 122.820 -0.101 0.000 1.859 17 A HA -0.346 3.974 4.320 -0.000 0.000 0.218 17 A C 2.188 179.689 177.584 -0.137 0.000 1.209 17 A CA 2.342 54.303 52.037 -0.127 0.000 0.639 17 A CB -0.994 17.918 19.000 -0.148 0.000 0.835 17 A HN 0.806 nan 8.150 nan 0.000 0.450 18 Q N -1.804 117.868 119.800 -0.213 0.000 2.404 18 Q HA -0.256 4.084 4.340 -0.000 0.000 0.214 18 Q C 1.087 176.835 176.000 -0.419 0.000 0.992 18 Q CA 2.247 57.854 55.803 -0.326 0.000 0.899 18 Q CB -0.519 27.959 28.738 -0.433 0.000 0.921 18 Q HN 0.760 nan 8.270 nan 0.000 0.453 19 Y N 0.869 121.120 120.300 -0.081 0.000 2.461 19 Y HA 0.327 4.877 4.550 -0.000 0.000 0.277 19 Y C 0.877 176.742 175.900 -0.059 0.000 1.182 19 Y CA 0.014 58.075 58.100 -0.065 0.000 1.276 19 Y CB 0.303 38.722 38.460 -0.068 0.000 1.087 19 Y HN 0.284 nan 8.280 nan 0.000 0.519 20 M N -2.776 116.829 119.600 0.008 0.000 2.622 20 M HA 0.498 4.978 4.480 -0.000 0.000 0.276 20 M C -1.924 174.346 176.300 -0.050 0.000 1.265 20 M CA -0.972 54.325 55.300 -0.006 0.000 0.850 20 M CB 2.264 34.861 32.600 -0.005 0.000 1.720 20 M HN -0.349 nan 8.290 nan 0.000 0.465 21 D N 2.618 123.003 120.400 -0.026 0.000 2.313 21 D HA 0.648 5.288 4.640 -0.000 0.000 0.239 21 D C -1.242 175.019 176.300 -0.065 0.000 1.142 21 D CA 0.153 54.139 54.000 -0.023 0.000 0.847 21 D CB 1.114 41.931 40.800 0.029 0.000 1.082 21 D HN 0.678 nan 8.370 nan 0.000 0.480 22 I N 1.082 121.561 120.570 -0.151 0.000 2.828 22 I HA 0.160 4.330 4.170 -0.000 0.000 0.295 22 I C -0.582 175.406 176.117 -0.215 0.000 1.459 22 I CA -0.534 60.532 61.300 -0.391 0.000 1.015 22 I CB 1.922 39.454 38.000 -0.780 0.000 1.345 22 I HN 0.323 nan 8.210 nan 0.000 0.449 23 S N 4.439 120.072 115.700 -0.112 0.000 2.596 23 S HA 0.209 4.679 4.470 -0.000 0.000 0.260 23 S C 0.620 175.205 174.600 -0.026 0.000 1.336 23 S CA -0.246 57.966 58.200 0.020 0.000 0.993 23 S CB 1.420 64.715 63.200 0.158 0.000 0.923 23 S HN 0.789 nan 8.310 nan 0.000 0.567 24 E N -0.010 120.197 120.200 0.011 0.000 2.385 24 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 24 E C 1.766 178.397 176.600 0.052 0.000 1.013 24 E CA 0.165 56.572 56.400 0.012 0.000 0.866 24 E CB 0.046 29.751 29.700 0.009 0.000 0.832 24 E HN 0.733 nan 8.360 nan 0.000 0.500 25 E N 0.659 120.904 120.200 0.076 0.000 2.023 25 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 25 E C 2.073 178.768 176.600 0.158 0.000 1.003 25 E CA 1.090 57.554 56.400 0.107 0.000 0.809 25 E CB -0.105 29.656 29.700 0.102 0.000 0.755 25 E HN 0.188 nan 8.360 nan 0.000 0.449 26 A N 1.977 124.896 122.820 0.165 0.000 1.841 26 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 26 A C 2.205 179.893 177.584 0.173 0.000 1.199 26 A CA 1.067 53.231 52.037 0.212 0.000 0.621 26 A CB -0.866 18.244 19.000 0.183 0.000 0.835 26 A HN 0.190 nan 8.150 nan 0.000 0.445 27 L N -0.316 120.935 121.223 0.047 0.000 1.991 27 L HA -0.237 4.103 4.340 -0.000 0.000 0.221 27 L C 2.463 179.394 176.870 0.100 0.000 1.079 27 L CA 2.625 57.486 54.840 0.036 0.000 0.778 27 L CB -1.366 40.681 42.059 -0.020 0.000 0.893 27 L HN 0.412 nan 8.230 nan 0.000 0.437 28 E N -1.104 119.157 120.200 0.103 0.000 2.160 28 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 28 E C 1.973 178.655 176.600 0.136 0.000 0.991 28 E CA 0.903 57.361 56.400 0.097 0.000 0.810 28 E CB -0.436 29.316 29.700 0.087 0.000 0.742 28 E HN 0.471 nan 8.360 nan 0.000 0.466 29 F N 0.167 120.144 119.950 0.046 0.000 2.128 29 F HA -0.038 4.489 4.527 -0.000 0.000 0.295 29 F C 1.724 177.553 175.800 0.049 0.000 1.100 29 F CA 0.922 58.942 58.000 0.033 0.000 1.260 29 F CB -0.010 39.034 39.000 0.073 0.000 1.009 29 F HN -0.052 nan 8.300 nan 0.000 0.476 30 L N 0.193 121.590 121.223 0.291 0.000 2.675 30 L HA -0.060 4.280 4.340 -0.000 0.000 0.238 30 L C 1.373 178.441 176.870 0.330 0.000 1.155 30 L CA 0.716 55.755 54.840 0.332 0.000 0.881 30 L CB -0.508 41.823 42.059 0.454 0.000 1.008 30 L HN 0.011 nan 8.230 nan 0.000 0.443 31 K N 1.031 121.530 120.400 0.165 0.000 2.397 31 K HA 0.220 4.539 4.320 -0.000 0.000 0.202 31 K C -0.366 176.339 176.600 0.175 0.000 1.022 31 K CA -0.012 56.375 56.287 0.167 0.000 1.141 31 K CB 0.397 32.934 32.500 0.062 0.000 0.857 31 K HN 0.317 nan 8.250 nan 0.000 0.514 32 R N 0.438 120.944 120.500 0.010 0.000 2.604 32 R HA 0.287 4.627 4.340 -0.000 0.000 0.261 32 R C -3.237 172.644 176.300 -0.698 0.000 1.080 32 R CA -1.803 54.215 56.100 -0.138 0.000 0.917 32 R CB 0.870 31.096 30.300 -0.124 0.000 1.252 32 R HN -0.188 nan 8.270 nan 0.000 0.456 33 P HA 0.060 nan 4.420 nan 0.000 0.275 33 P C -0.134 176.814 177.300 -0.586 0.000 1.227 33 P CA -0.221 62.323 63.100 -0.928 0.000 0.781 33 P CB 1.269 32.722 31.700 -0.411 0.000 0.906 34 Q N 1.559 120.985 119.800 -0.623 0.000 2.061 34 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 34 Q C 0.953 176.820 176.000 -0.221 0.000 0.984 34 Q CA 1.459 56.936 55.803 -0.544 0.000 0.846 34 Q CB 0.034 28.243 28.738 -0.881 0.000 0.902 34 Q HN 0.473 nan 8.270 nan 0.000 0.421 35 R N -0.170 120.300 120.500 -0.051 0.000 2.621 35 R HA 0.541 4.881 4.340 -0.000 0.000 0.284 35 R C -1.777 174.551 176.300 0.047 0.000 0.998 35 R CA -0.288 55.854 56.100 0.069 0.000 0.895 35 R CB 1.329 31.777 30.300 0.248 0.000 1.195 35 R HN -0.019 nan 8.270 nan 0.000 0.450 36 I N 4.142 124.725 120.570 0.022 0.000 2.545 36 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 36 I C -0.941 175.209 176.117 0.056 0.000 1.040 36 I CA -1.001 60.316 61.300 0.028 0.000 1.068 36 I CB 2.384 40.375 38.000 -0.015 0.000 1.251 36 I HN 0.277 nan 8.210 nan 0.000 0.424 37 V N 4.965 124.933 119.914 0.090 0.000 2.588 37 V HA 0.478 4.597 4.120 -0.000 0.000 0.304 37 V C -0.573 175.618 176.094 0.161 0.000 1.042 37 V CA -0.659 61.694 62.300 0.090 0.000 0.877 37 V CB 1.895 33.748 31.823 0.050 0.000 0.996 37 V HN 0.786 nan 8.190 nan 0.000 0.425 38 E N 3.802 124.091 120.200 0.148 0.000 2.218 38 E HA 0.716 5.066 4.350 -0.000 0.000 0.263 38 E C -1.366 175.280 176.600 0.076 0.000 0.879 38 E CA -0.604 55.915 56.400 0.198 0.000 0.762 38 E CB 2.182 32.041 29.700 0.266 0.000 1.166 38 E HN 0.631 nan 8.360 nan 0.000 0.415 39 V N 1.431 121.350 119.914 0.008 0.000 2.864 39 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 39 V C -0.238 175.839 176.094 -0.029 0.000 1.073 39 V CA -0.792 61.502 62.300 -0.010 0.000 0.956 39 V CB 1.584 33.398 31.823 -0.014 0.000 1.023 39 V HN 0.676 nan 8.190 nan 0.000 0.435 40 S N 3.544 119.242 115.700 -0.003 0.000 2.420 40 S HA 0.679 5.149 4.470 -0.000 0.000 0.313 40 S C -0.571 174.047 174.600 0.029 0.000 1.079 40 S CA -0.501 57.701 58.200 0.003 0.000 1.104 40 S CB 0.098 63.298 63.200 -0.000 0.000 0.969 40 S HN 0.678 nan 8.310 nan 0.000 0.471 41 I N 6.265 126.875 120.570 0.065 0.000 2.347 41 I HA 0.341 4.511 4.170 -0.000 0.000 0.283 41 I C -2.182 174.015 176.117 0.132 0.000 1.058 41 I CA -2.479 58.878 61.300 0.096 0.000 1.202 41 I CB 1.346 39.414 38.000 0.112 0.000 1.386 41 I HN 0.472 nan 8.210 nan 0.000 0.475 42 P HA 0.081 nan 4.420 nan 0.000 0.267 42 P C -0.565 176.792 177.300 0.096 0.000 1.205 42 P CA 0.138 63.287 63.100 0.081 0.000 0.765 42 P CB 1.247 32.969 31.700 0.038 0.000 0.828 43 V N 3.442 123.443 119.914 0.145 0.000 2.604 43 V HA 0.285 4.405 4.120 -0.000 0.000 0.305 43 V C 0.373 176.511 176.094 0.074 0.000 1.043 43 V CA -0.773 61.587 62.300 0.099 0.000 0.888 43 V CB 1.989 33.877 31.823 0.110 0.000 0.995 43 V HN 0.517 nan 8.190 nan 0.000 0.429 44 E N 4.180 124.393 120.200 0.023 0.000 2.152 44 E HA 0.332 4.682 4.350 -0.000 0.000 0.285 44 E C -0.572 176.033 176.600 0.008 0.000 1.043 44 E CA -0.723 55.683 56.400 0.010 0.000 0.839 44 E CB 0.711 30.405 29.700 -0.010 0.000 1.069 44 E HN 0.442 nan 8.360 nan 0.000 0.399 45 M N 2.620 122.232 119.600 0.021 0.000 2.197 45 M HA 0.094 4.574 4.480 -0.000 0.000 0.305 45 M C 0.807 177.107 176.300 0.000 0.000 1.162 45 M CA -0.183 55.128 55.300 0.019 0.000 1.099 45 M CB 0.208 32.826 32.600 0.030 0.000 1.430 45 M HN 0.435 nan 8.290 nan 0.000 0.481 46 D N 0.773 121.172 120.400 -0.002 0.000 2.264 46 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 46 D C 0.774 177.070 176.300 -0.006 0.000 0.966 46 D CA 1.083 55.078 54.000 -0.008 0.000 0.864 46 D CB -0.239 40.556 40.800 -0.007 0.000 0.933 46 D HN 0.713 nan 8.370 nan 0.000 0.499 47 D N -1.495 118.903 120.400 -0.003 0.000 2.325 47 D HA 0.212 4.852 4.640 -0.000 0.000 0.234 47 D C 1.409 177.706 176.300 -0.006 0.000 1.122 47 D CA 0.473 54.470 54.000 -0.004 0.000 0.850 47 D CB 0.101 40.899 40.800 -0.004 0.000 0.921 47 D HN 0.074 nan 8.370 nan 0.000 0.513 48 G N 0.127 108.924 108.800 -0.006 0.000 2.205 48 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.261 48 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.261 48 G C 0.449 175.345 174.900 -0.006 0.000 0.980 48 G CA 0.456 45.552 45.100 -0.007 0.000 0.632 48 G HN 0.862 nan 8.290 nan 0.000 0.533 49 S N -0.567 115.130 115.700 -0.004 0.000 2.585 49 S HA 0.739 5.208 4.470 -0.000 0.000 0.277 49 S C 0.081 174.682 174.600 0.001 0.000 1.241 49 S CA -0.422 57.774 58.200 -0.005 0.000 1.041 49 S CB 2.678 65.872 63.200 -0.010 0.000 0.987 49 S HN 0.899 nan 8.310 nan 0.000 0.512 50 V N 2.791 122.704 119.914 -0.002 0.000 2.465 50 V HA 0.480 4.600 4.120 -0.000 0.000 0.279 50 V C 0.241 176.334 176.094 -0.001 0.000 1.045 50 V CA -0.429 61.876 62.300 0.008 0.000 0.938 50 V CB 1.147 32.972 31.823 0.003 0.000 0.986 50 V HN 0.988 nan 8.190 nan 0.000 0.467 51 K N 4.111 124.528 120.400 0.028 0.000 2.397 51 K HA 0.612 4.932 4.320 -0.000 0.000 0.253 51 K C -1.400 175.173 176.600 -0.045 0.000 0.932 51 K CA -0.623 55.635 56.287 -0.049 0.000 0.795 51 K CB 2.078 34.528 32.500 -0.082 0.000 1.159 51 K HN 0.422 nan 8.250 nan 0.000 0.424 52 V N 5.759 125.584 119.914 -0.150 0.000 2.455 52 V HA 0.259 4.379 4.120 -0.000 0.000 0.273 52 V C -0.280 175.634 176.094 -0.299 0.000 1.045 52 V CA -0.037 62.197 62.300 -0.109 0.000 0.976 52 V CB -0.107 31.660 31.823 -0.094 0.000 0.993 52 V HN 0.608 nan 8.190 nan 0.000 0.475 53 F N 2.159 122.059 119.950 -0.084 0.000 0.000 53 F HA 0.644 5.171 4.527 -0.000 0.000 0.000 53 F C 0.732 176.459 175.800 -0.122 0.000 0.000 53 F CA -0.604 57.326 58.000 -0.116 0.000 0.000 53 F CB 1.712 40.616 39.000 -0.159 0.000 0.000 53 F HN 0.247 nan 8.300 nan 0.000 0.000 54 T N 0.202 114.770 114.554 0.023 0.000 2.937 54 T HA 0.622 4.972 4.350 -0.000 0.000 0.297 54 T C -0.363 174.122 174.700 -0.359 0.000 0.991 54 T CA -0.726 61.288 62.100 -0.143 0.000 0.990 54 T CB 1.184 69.964 68.868 -0.146 0.000 0.991 54 T HN 0.862 nan 8.240 nan 0.000 0.440 55 G N 1.956 110.518 108.800 -0.396 0.000 2.714 55 G HA2 0.871 4.831 3.960 -0.000 0.000 0.292 55 G HA3 0.871 4.831 3.960 -0.000 0.000 0.292 55 G C -1.732 172.789 174.900 -0.632 0.000 1.308 55 G CA -0.764 44.056 45.100 -0.467 0.000 0.964 55 G HN 0.528 nan 8.290 nan 0.000 0.484 56 F N -1.374 118.733 119.950 0.261 0.000 2.645 56 F HA 0.826 5.353 4.527 -0.000 0.000 0.310 56 F C -0.120 175.818 175.800 0.229 0.000 1.102 56 F CA -1.113 56.992 58.000 0.175 0.000 0.952 56 F CB 2.659 41.720 39.000 0.103 0.000 1.326 56 F HN 0.551 nan 8.300 nan 0.000 0.456 57 R N 0.592 121.296 120.500 0.341 0.000 2.621 57 R HA 0.871 5.211 4.340 -0.000 0.000 0.284 57 R C -2.415 173.981 176.300 0.160 0.000 0.998 57 R CA -0.629 55.610 56.100 0.231 0.000 0.895 57 R CB 2.177 32.551 30.300 0.124 0.000 1.195 57 R HN 0.596 nan 8.270 nan 0.000 0.450 58 V N 4.543 124.533 119.914 0.126 0.000 2.577 58 V HA 0.433 4.553 4.120 -0.000 0.000 0.303 58 V C -0.956 175.208 176.094 0.116 0.000 1.042 58 V CA -0.657 61.696 62.300 0.090 0.000 0.872 58 V CB 1.962 33.809 31.823 0.038 0.000 0.998 58 V HN 0.746 nan 8.190 nan 0.000 0.423 59 Q N 2.865 122.755 119.800 0.150 0.000 2.381 59 Q HA 0.364 4.704 4.340 -0.000 0.000 0.263 59 Q C -0.276 175.858 176.000 0.225 0.000 1.030 59 Q CA -0.491 55.453 55.803 0.235 0.000 0.772 59 Q CB 1.933 30.861 28.738 0.317 0.000 1.232 59 Q HN 0.797 nan 8.270 nan 0.000 0.476 60 Y N 2.531 122.859 120.300 0.047 0.000 2.176 60 Y HA 0.053 4.603 4.550 -0.000 0.000 0.291 60 Y C 0.388 176.228 175.900 -0.101 0.000 1.122 60 Y CA 1.118 59.184 58.100 -0.056 0.000 1.128 60 Y CB 0.800 39.193 38.460 -0.111 0.000 1.005 60 Y HN 0.495 nan 8.280 nan 0.000 0.509 61 N N -0.964 117.800 118.700 0.105 0.000 2.537 61 N HA 0.032 4.772 4.740 -0.000 0.000 0.281 61 N C -1.538 174.119 175.510 0.244 0.000 1.097 61 N CA -0.301 52.767 53.050 0.029 0.000 0.964 61 N CB 0.426 39.016 38.487 0.171 0.000 1.588 61 N HN 0.344 nan 8.380 nan 0.000 0.511 62 W N 3.562 125.056 121.300 0.323 0.000 2.926 62 W HA 0.562 5.222 4.660 -0.000 0.000 0.419 62 W C 0.921 177.645 176.519 0.342 0.000 0.993 62 W CA -0.289 57.232 57.345 0.293 0.000 2.025 62 W CB -0.370 29.228 29.460 0.230 0.000 1.152 62 W HN 0.520 nan 8.180 nan 0.000 0.659 63 A N 1.759 124.808 122.820 0.380 0.000 1.940 63 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 63 A C 2.130 179.711 177.584 -0.005 0.000 1.176 63 A CA 1.281 53.278 52.037 -0.066 0.000 0.631 63 A CB -0.341 18.388 19.000 -0.452 0.000 0.814 63 A HN 0.374 nan 8.150 nan 0.000 0.446 64 R N -0.977 119.580 120.500 0.095 0.000 2.297 64 R HA 0.265 4.605 4.340 -0.000 0.000 0.197 64 R C 0.797 177.161 176.300 0.106 0.000 0.943 64 R CA 0.731 56.872 56.100 0.068 0.000 1.038 64 R CB 0.118 30.457 30.300 0.065 0.000 0.957 64 R HN 0.585 nan 8.270 nan 0.000 0.484 65 G N 0.925 109.843 108.800 0.196 0.000 2.345 65 G HA2 0.017 3.977 3.960 -0.000 0.000 0.285 65 G HA3 0.017 3.977 3.960 -0.000 0.000 0.285 65 G C -3.170 171.900 174.900 0.283 0.000 1.297 65 G CA -1.038 44.190 45.100 0.212 0.000 0.875 65 G HN -0.223 nan 8.290 nan 0.000 0.506 66 P HA 0.339 nan 4.420 nan 0.000 0.277 66 P C 0.415 177.789 177.300 0.124 0.000 1.240 66 P CA 0.107 63.306 63.100 0.165 0.000 0.798 66 P CB 0.762 32.532 31.700 0.116 0.000 0.979 67 T N -0.317 114.283 114.554 0.076 0.000 2.907 67 T HA 0.399 4.749 4.350 -0.000 0.000 0.298 67 T C -0.030 174.560 174.700 -0.183 0.000 1.017 67 T CA -0.425 61.692 62.100 0.028 0.000 1.118 67 T CB 0.395 69.337 68.868 0.123 0.000 0.948 67 T HN 0.103 nan 8.240 nan 0.000 0.531 68 K N 1.075 121.316 120.400 -0.265 0.000 2.426 68 K HA 0.781 5.101 4.320 -0.000 0.000 0.254 68 K C -0.283 176.188 176.600 -0.216 0.000 0.936 68 K CA -0.593 55.447 56.287 -0.412 0.000 0.801 68 K CB 1.606 33.664 32.500 -0.737 0.000 1.139 68 K HN 1.180 nan 8.250 nan 0.000 0.424 69 G N 1.018 109.717 108.800 -0.168 0.000 2.498 69 G HA2 0.439 4.399 3.960 -0.000 0.000 0.301 69 G HA3 0.439 4.399 3.960 -0.000 0.000 0.301 69 G C -0.395 174.464 174.900 -0.069 0.000 1.577 69 G CA -0.325 44.716 45.100 -0.098 0.000 0.868 69 G HN 0.640 nan 8.290 nan 0.000 0.599 70 G N -0.772 107.992 108.800 -0.060 0.000 2.716 70 G HA2 0.507 4.467 3.960 -0.000 0.000 0.251 70 G HA3 0.507 4.467 3.960 -0.000 0.000 0.251 70 G C -0.080 174.803 174.900 -0.029 0.000 1.224 70 G CA -0.358 44.708 45.100 -0.057 0.000 0.891 70 G HN 0.791 nan 8.290 nan 0.000 0.561 71 I N -0.236 120.301 120.570 -0.055 0.000 2.466 71 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 71 I C -0.087 175.996 176.117 -0.057 0.000 1.026 71 I CA -0.630 60.645 61.300 -0.042 0.000 1.078 71 I CB 2.310 40.236 38.000 -0.124 0.000 1.249 71 I HN 0.340 nan 8.210 nan 0.000 0.429 72 R N 4.406 124.941 120.500 0.058 0.000 2.407 72 R HA 0.432 4.772 4.340 -0.000 0.000 0.303 72 R C -1.628 174.894 176.300 0.369 0.000 0.981 72 R CA -0.570 55.599 56.100 0.115 0.000 0.905 72 R CB 1.759 32.102 30.300 0.072 0.000 1.099 72 R HN 0.428 nan 8.270 nan 0.000 0.459 73 W N 3.648 124.974 121.300 0.044 0.000 2.336 73 W HA 0.339 4.999 4.660 -0.000 0.000 0.315 73 W C -0.122 176.502 176.519 0.175 0.000 1.016 73 W CA -0.255 57.144 57.345 0.090 0.000 1.318 73 W CB 0.565 30.084 29.460 0.098 0.000 1.247 73 W HN 0.394 nan 8.180 nan 0.000 0.414 74 H N 4.076 123.256 119.070 0.183 0.000 3.046 74 H HA 0.201 4.757 4.556 -0.000 0.000 0.363 74 H C -1.879 173.506 175.328 0.096 0.000 1.203 74 H CA -1.586 54.529 56.048 0.111 0.000 1.169 74 H CB 3.261 33.025 29.762 0.003 0.000 1.851 74 H HN -0.023 nan 8.280 nan 0.000 0.546 75 P HA 0.054 nan 4.420 nan 0.000 0.235 75 P C 0.309 177.703 177.300 0.155 0.000 1.177 75 P CA 0.773 63.911 63.100 0.063 0.000 0.785 75 P CB 0.643 32.332 31.700 -0.019 0.000 0.885 76 E N -0.484 119.912 120.200 0.328 0.000 2.609 76 E HA 0.128 4.478 4.350 -0.000 0.000 0.208 76 E C -0.133 176.568 176.600 0.168 0.000 1.013 76 E CA -0.207 56.331 56.400 0.230 0.000 1.093 76 E CB -0.052 29.784 29.700 0.227 0.000 1.129 76 E HN 0.100 nan 8.360 nan 0.000 0.450 77 E N 0.670 120.986 120.200 0.193 0.000 2.319 77 E HA 0.269 4.618 4.350 -0.000 0.000 0.268 77 E C -0.479 176.211 176.600 0.150 0.000 1.050 77 E CA -0.187 56.304 56.400 0.153 0.000 0.878 77 E CB 0.842 30.676 29.700 0.224 0.000 1.066 77 E HN 0.115 nan 8.360 nan 0.000 0.406 78 T N 1.178 115.769 114.554 0.062 0.000 2.883 78 T HA 0.224 4.574 4.350 -0.000 0.000 0.301 78 T C 0.488 175.028 174.700 -0.268 0.000 1.158 78 T CA -0.873 61.212 62.100 -0.026 0.000 1.007 78 T CB 0.835 69.679 68.868 -0.041 0.000 1.186 78 T HN 0.345 nan 8.240 nan 0.000 0.499 79 L N 1.696 122.599 121.223 -0.533 0.000 2.043 79 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 79 L C 2.603 179.223 176.870 -0.417 0.000 1.075 79 L CA 2.112 56.493 54.840 -0.765 0.000 0.752 79 L CB -1.403 40.250 42.059 -0.676 0.000 0.891 79 L HN 0.888 nan 8.230 nan 0.000 0.432 80 S N -1.203 114.341 115.700 -0.260 0.000 2.359 80 S HA -0.235 4.235 4.470 -0.000 0.000 0.223 80 S C 1.807 176.318 174.600 -0.147 0.000 1.039 80 S CA 1.948 60.048 58.200 -0.167 0.000 1.042 80 S CB -0.463 62.713 63.200 -0.039 0.000 0.915 80 S HN 0.655 nan 8.310 nan 0.000 0.439 81 T N 1.630 116.105 114.554 -0.132 0.000 2.720 81 T HA -0.082 4.268 4.350 -0.000 0.000 0.268 81 T C 1.868 176.486 174.700 -0.136 0.000 1.037 81 T CA 1.402 63.431 62.100 -0.117 0.000 1.144 81 T CB -0.438 68.365 68.868 -0.108 0.000 0.864 81 T HN 0.199 nan 8.240 nan 0.000 0.444 82 V N 1.276 121.089 119.914 -0.169 0.000 2.244 82 V HA -0.159 3.961 4.120 -0.000 0.000 0.244 82 V C 2.515 178.503 176.094 -0.177 0.000 1.042 82 V CA 1.534 63.746 62.300 -0.146 0.000 1.006 82 V CB -0.509 31.212 31.823 -0.171 0.000 0.641 82 V HN 0.423 nan 8.190 nan 0.000 0.446 83 K N 0.224 120.453 120.400 -0.284 0.000 2.032 83 K HA -0.291 4.029 4.320 -0.000 0.000 0.218 83 K C 2.301 178.732 176.600 -0.282 0.000 1.054 83 K CA 1.916 57.962 56.287 -0.402 0.000 0.941 83 K CB -0.619 31.330 32.500 -0.918 0.000 0.720 83 K HN 0.474 nan 8.250 nan 0.000 0.449 84 A N 1.156 123.894 122.820 -0.137 0.000 1.917 84 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 84 A C 2.128 179.708 177.584 -0.006 0.000 1.182 84 A CA 1.658 53.752 52.037 0.093 0.000 0.633 84 A CB -0.670 18.382 19.000 0.087 0.000 0.819 84 A HN 0.228 nan 8.150 nan 0.000 0.448 85 L N -1.109 120.059 121.223 -0.092 0.000 2.240 85 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 85 L C 2.913 179.736 176.870 -0.078 0.000 1.106 85 L CA 0.745 55.540 54.840 -0.076 0.000 0.793 85 L CB -0.492 41.504 42.059 -0.105 0.000 0.927 85 L HN 0.363 nan 8.230 nan 0.000 0.446 86 A N 0.592 123.326 122.820 -0.143 0.000 1.877 86 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 86 A C 2.599 179.910 177.584 -0.455 0.000 1.186 86 A CA 1.726 53.656 52.037 -0.179 0.000 0.620 86 A CB -0.798 18.168 19.000 -0.058 0.000 0.822 86 A HN 0.354 nan 8.150 nan 0.000 0.443 87 A N -1.645 120.690 122.820 -0.809 0.000 1.940 87 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 87 A C 2.133 179.074 177.584 -1.072 0.000 1.176 87 A CA 1.340 52.592 52.037 -1.308 0.000 0.631 87 A CB -0.854 17.632 19.000 -0.857 0.000 0.814 87 A HN 0.812 nan 8.150 nan 0.000 0.446 88 W N -0.895 119.993 121.300 -0.685 0.000 2.388 88 W HA -0.121 4.539 4.660 0.000 0.000 0.294 88 W C 2.095 178.319 176.519 -0.491 0.000 1.212 88 W CA 1.359 58.382 57.345 -0.538 0.000 1.271 88 W CB -0.180 29.120 29.460 -0.268 0.000 1.126 88 W HN 0.262 nan 8.180 nan 0.000 0.535 89 M N 0.136 119.619 119.600 -0.195 0.000 2.202 89 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 89 M C 1.822 177.975 176.300 -0.244 0.000 1.063 89 M CA 1.583 56.791 55.300 -0.153 0.000 1.097 89 M CB -1.636 30.894 32.600 -0.117 0.000 1.382 89 M HN -0.171 nan 8.290 nan 0.000 0.413 90 T N -0.761 113.497 114.554 -0.493 0.000 2.737 90 T HA -0.187 4.163 4.350 -0.000 0.000 0.265 90 T C 1.464 175.967 174.700 -0.330 0.000 1.038 90 T CA 1.705 63.507 62.100 -0.496 0.000 1.144 90 T CB -0.470 67.916 68.868 -0.802 0.000 0.866 90 T HN 0.590 nan 8.240 nan 0.000 0.434 91 W N 1.513 122.684 121.300 -0.216 0.000 2.425 91 W HA 0.142 4.802 4.660 0.000 0.000 0.277 91 W C 2.474 178.957 176.519 -0.059 0.000 1.231 91 W CA -0.012 57.186 57.345 -0.245 0.000 1.248 91 W CB -0.171 28.903 29.460 -0.644 0.000 1.117 91 W HN 0.149 nan 8.180 nan 0.000 0.568 92 K N 0.944 121.394 120.400 0.083 0.000 2.057 92 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 92 K C 2.138 178.797 176.600 0.099 0.000 1.050 92 K CA 2.285 58.677 56.287 0.176 0.000 0.935 92 K CB -0.364 32.210 32.500 0.123 0.000 0.715 92 K HN 0.118 nan 8.250 nan 0.000 0.439 93 T N -0.915 113.675 114.554 0.059 0.000 2.777 93 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 93 T C 2.032 176.759 174.700 0.044 0.000 1.040 93 T CA 0.952 63.085 62.100 0.056 0.000 1.141 93 T CB -0.491 68.430 68.868 0.090 0.000 0.868 93 T HN 0.230 nan 8.240 nan 0.000 0.444 94 A N 1.120 123.988 122.820 0.080 0.000 1.865 94 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 94 A C 2.633 180.253 177.584 0.061 0.000 1.191 94 A CA 1.672 53.761 52.037 0.087 0.000 0.623 94 A CB -1.309 17.784 19.000 0.155 0.000 0.826 94 A HN 0.370 nan 8.150 nan 0.000 0.444 95 V N -0.742 119.214 119.914 0.071 0.000 2.626 95 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 95 V C 2.167 178.263 176.094 0.004 0.000 1.067 95 V CA 2.035 64.347 62.300 0.020 0.000 1.081 95 V CB -0.403 31.398 31.823 -0.036 0.000 0.686 95 V HN 0.511 nan 8.190 nan 0.000 0.468 96 M N -0.563 119.043 119.600 0.009 0.000 2.595 96 M HA 0.176 4.656 4.480 -0.000 0.000 0.248 96 M C 0.957 177.240 176.300 -0.028 0.000 1.119 96 M CA 0.385 55.681 55.300 -0.006 0.000 1.079 96 M CB -1.190 31.404 32.600 -0.009 0.000 1.472 96 M HN 0.472 nan 8.290 nan 0.000 0.501 97 D N 1.165 121.551 120.400 -0.023 0.000 2.718 97 D HA -0.176 4.464 4.640 -0.000 0.000 0.242 97 D C -0.975 175.251 176.300 -0.123 0.000 1.123 97 D CA 0.372 54.348 54.000 -0.040 0.000 0.690 97 D CB -1.056 39.736 40.800 -0.013 0.000 1.059 97 D HN 0.302 nan 8.370 nan 0.000 0.429 98 L N -0.139 120.980 121.223 -0.173 0.000 2.352 98 L HA 0.506 4.845 4.340 -0.000 0.000 0.269 98 L C -1.202 175.469 176.870 -0.331 0.000 1.034 98 L CA -1.967 52.632 54.840 -0.401 0.000 0.806 98 L CB 1.007 42.801 42.059 -0.443 0.000 1.244 98 L HN -0.158 nan 8.230 nan 0.000 0.447 99 P HA 0.051 nan 4.420 nan 0.000 0.271 99 P C -1.159 175.993 177.300 -0.246 0.000 1.535 99 P CA 0.510 63.427 63.100 -0.304 0.000 0.820 99 P CB -0.293 31.255 31.700 -0.253 0.000 1.606 100 Y N -0.521 119.718 120.300 -0.101 0.000 2.524 100 Y HA 0.604 5.154 4.550 -0.000 0.000 0.344 100 Y C 1.338 177.235 175.900 -0.005 0.000 1.012 100 Y CA -1.145 56.902 58.100 -0.090 0.000 1.068 100 Y CB 1.115 39.479 38.460 -0.159 0.000 1.249 100 Y HN -0.103 nan 8.280 nan 0.000 0.468 101 G N -0.247 108.698 108.800 0.242 0.000 2.574 101 G HA2 0.552 4.512 3.960 -0.000 0.000 0.248 101 G HA3 0.552 4.512 3.960 -0.000 0.000 0.248 101 G C -0.603 174.362 174.900 0.108 0.000 1.422 101 G CA -0.481 44.745 45.100 0.211 0.000 1.051 101 G HN 0.862 nan 8.290 nan 0.000 0.560 102 G N -1.857 106.996 108.800 0.088 0.000 2.662 102 G HA2 0.678 4.638 3.960 -0.000 0.000 0.302 102 G HA3 0.678 4.638 3.960 -0.000 0.000 0.302 102 G C -0.585 174.339 174.900 0.041 0.000 1.389 102 G CA 0.220 45.316 45.100 -0.007 0.000 0.998 102 G HN 1.113 nan 8.290 nan 0.000 0.502 103 G N -0.003 108.793 108.800 -0.006 0.000 2.695 103 G HA2 0.695 4.655 3.960 -0.000 0.000 0.290 103 G HA3 0.695 4.655 3.960 -0.000 0.000 0.290 103 G C -1.719 173.177 174.900 -0.006 0.000 1.410 103 G CA -0.753 44.364 45.100 0.029 0.000 0.844 103 G HN 0.664 nan 8.290 nan 0.000 0.478 104 K N -1.334 119.080 120.400 0.023 0.000 2.556 104 K HA 0.756 5.076 4.320 -0.000 0.000 0.274 104 K C -0.290 176.364 176.600 0.089 0.000 0.966 104 K CA -0.062 56.239 56.287 0.024 0.000 0.865 104 K CB 2.197 34.692 32.500 -0.009 0.000 1.444 104 K HN 1.126 nan 8.250 nan 0.000 0.433 105 G N -0.517 108.357 108.800 0.124 0.000 2.694 105 G HA2 0.766 4.726 3.960 -0.000 0.000 0.290 105 G HA3 0.766 4.726 3.960 -0.000 0.000 0.290 105 G C -1.152 173.886 174.900 0.230 0.000 1.386 105 G CA -0.566 44.681 45.100 0.244 0.000 0.872 105 G HN 0.746 nan 8.290 nan 0.000 0.475 106 G N -1.694 107.306 108.800 0.335 0.000 2.616 106 G HA2 0.612 4.572 3.960 -0.000 0.000 0.294 106 G HA3 0.612 4.572 3.960 -0.000 0.000 0.294 106 G C -1.955 173.063 174.900 0.196 0.000 1.489 106 G CA -0.345 44.936 45.100 0.303 0.000 0.836 106 G HN 1.135 nan 8.290 nan 0.000 0.527 107 V N 1.592 121.553 119.914 0.079 0.000 2.638 107 V HA 0.466 4.586 4.120 -0.000 0.000 0.306 107 V C -0.136 175.923 176.094 -0.059 0.000 1.052 107 V CA -0.663 61.560 62.300 -0.129 0.000 0.885 107 V CB 1.866 33.472 31.823 -0.361 0.000 0.999 107 V HN 0.702 nan 8.190 nan 0.000 0.424 108 I N 5.505 126.056 120.570 -0.032 0.000 2.322 108 I HA 0.512 4.682 4.170 -0.000 0.000 0.292 108 I C 0.246 176.415 176.117 0.086 0.000 1.060 108 I CA 0.193 61.530 61.300 0.063 0.000 1.309 108 I CB 0.220 38.270 38.000 0.084 0.000 1.415 108 I HN 0.915 nan 8.210 nan 0.000 0.492 109 C N 3.190 122.521 119.300 0.053 0.000 3.284 109 C HA 0.510 4.970 4.460 -0.000 0.000 0.348 109 C C -0.949 174.064 174.990 0.039 0.000 1.448 109 C CA -1.013 58.063 59.018 0.096 0.000 1.223 109 C CB 1.854 29.535 27.740 -0.098 0.000 1.588 109 C HN 0.647 nan 8.230 nan 0.000 0.451 110 N N 1.461 120.189 118.700 0.046 0.000 2.706 110 N HA 0.464 5.204 4.740 -0.000 0.000 0.240 110 N C -1.816 173.700 175.510 0.011 0.000 1.039 110 N CA -1.950 51.115 53.050 0.024 0.000 0.888 110 N CB 1.351 39.849 38.487 0.018 0.000 1.128 110 N HN 0.554 nan 8.380 nan 0.000 0.512 111 P HA -0.133 nan 4.420 nan 0.000 0.221 111 P C 0.779 178.068 177.300 -0.018 0.000 1.145 111 P CA 1.193 64.333 63.100 0.067 0.000 0.795 111 P CB 0.491 32.317 31.700 0.210 0.000 0.775 112 K N 0.065 120.424 120.400 -0.067 0.000 2.155 112 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 112 K C 1.343 177.922 176.600 -0.035 0.000 1.052 112 K CA 1.060 57.297 56.287 -0.083 0.000 0.948 112 K CB -0.147 32.294 32.500 -0.098 0.000 0.728 112 K HN 0.358 nan 8.250 nan 0.000 0.448 113 E N 0.230 120.422 120.200 -0.014 0.000 2.419 113 E HA 0.128 4.478 4.350 -0.000 0.000 0.190 113 E C -0.114 176.490 176.600 0.006 0.000 1.040 113 E CA -0.155 56.244 56.400 -0.002 0.000 0.900 113 E CB 0.254 29.958 29.700 0.006 0.000 1.054 113 E HN 0.150 nan 8.360 nan 0.000 0.462 114 M N 1.532 121.135 119.600 0.005 0.000 2.238 114 M HA 0.175 4.655 4.480 -0.000 0.000 0.350 114 M C 0.152 176.466 176.300 0.023 0.000 1.138 114 M CA -0.578 54.728 55.300 0.010 0.000 1.040 114 M CB 1.625 34.225 32.600 -0.000 0.000 1.639 114 M HN -0.027 nan 8.290 nan 0.000 0.451 115 S N 1.123 116.833 115.700 0.017 0.000 2.600 115 S HA 0.107 4.577 4.470 -0.000 0.000 0.265 115 S C 0.536 175.168 174.600 0.053 0.000 1.325 115 S CA -0.562 57.653 58.200 0.025 0.000 1.002 115 S CB 0.727 63.931 63.200 0.008 0.000 0.921 115 S HN 0.700 nan 8.310 nan 0.000 0.554 116 D N 0.643 121.089 120.400 0.075 0.000 2.149 116 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 116 D C 2.035 178.367 176.300 0.053 0.000 0.990 116 D CA 1.217 55.308 54.000 0.152 0.000 0.839 116 D CB -0.181 40.719 40.800 0.166 0.000 0.948 116 D HN 0.570 nan 8.370 nan 0.000 0.460 117 R N 0.417 120.898 120.500 -0.032 0.000 2.115 117 R HA 0.018 4.358 4.340 -0.000 0.000 0.226 117 R C 2.049 178.263 176.300 -0.144 0.000 1.100 117 R CA 0.866 56.884 56.100 -0.136 0.000 0.980 117 R CB 0.054 30.295 30.300 -0.098 0.000 0.875 117 R HN 0.203 nan 8.270 nan 0.000 0.445 118 E N -0.114 120.043 120.200 -0.070 0.000 2.047 118 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 118 E C 1.709 178.258 176.600 -0.085 0.000 0.987 118 E CA 1.412 57.767 56.400 -0.075 0.000 0.799 118 E CB 0.089 29.762 29.700 -0.044 0.000 0.752 118 E HN 0.188 nan 8.360 nan 0.000 0.449 119 K N 0.841 121.253 120.400 0.019 0.000 2.103 119 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 119 K C 2.090 178.820 176.600 0.217 0.000 1.048 119 K CA 1.419 57.834 56.287 0.213 0.000 0.930 119 K CB -0.054 32.735 32.500 0.482 0.000 0.716 119 K HN 0.132 nan 8.250 nan 0.000 0.444 120 E N 1.089 121.149 120.200 -0.232 0.000 2.047 120 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 120 E C 1.872 178.294 176.600 -0.297 0.000 0.987 120 E CA 0.954 56.899 56.400 -0.760 0.000 0.799 120 E CB 0.139 28.898 29.700 -1.567 0.000 0.752 120 E HN 0.204 nan 8.360 nan 0.000 0.449 121 R N 0.020 120.380 120.500 -0.232 0.000 2.193 121 R HA -0.124 4.216 4.340 -0.000 0.000 0.229 121 R C 2.335 178.595 176.300 -0.067 0.000 1.110 121 R CA 0.682 56.704 56.100 -0.131 0.000 0.988 121 R CB -0.142 30.088 30.300 -0.117 0.000 0.871 121 R HN 0.236 nan 8.270 nan 0.000 0.458 122 L N 0.105 121.288 121.223 -0.066 0.000 2.145 122 L HA 0.133 4.473 4.340 -0.000 0.000 0.201 122 L C 2.213 179.162 176.870 0.132 0.000 1.075 122 L CA 1.537 56.302 54.840 -0.124 0.000 0.773 122 L CB -0.603 41.185 42.059 -0.451 0.000 0.936 122 L HN 0.025 nan 8.230 nan 0.000 0.451 123 A N 0.162 123.189 122.820 0.347 0.000 1.892 123 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 123 A C 2.401 180.177 177.584 0.320 0.000 1.188 123 A CA 2.111 54.416 52.037 0.448 0.000 0.631 123 A CB -0.643 18.666 19.000 0.515 0.000 0.822 123 A HN 0.523 nan 8.150 nan 0.000 0.447 124 R N -1.094 119.524 120.500 0.197 0.000 2.115 124 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 124 R C 2.339 178.719 176.300 0.134 0.000 1.111 124 R CA 1.015 57.201 56.100 0.143 0.000 0.976 124 R CB -0.543 29.786 30.300 0.048 0.000 0.870 124 R HN 0.548 nan 8.270 nan 0.000 0.445 125 G N 0.176 109.049 108.800 0.121 0.000 2.403 125 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.216 125 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.216 125 G C 1.169 176.159 174.900 0.151 0.000 1.154 125 G CA 0.246 45.407 45.100 0.102 0.000 0.784 125 G HN 0.257 nan 8.290 nan 0.000 0.538 126 Y N 1.449 121.797 120.300 0.081 0.000 2.070 126 Y HA -0.173 4.377 4.550 -0.000 0.000 0.280 126 Y C 2.882 178.852 175.900 0.117 0.000 1.148 126 Y CA 1.613 59.772 58.100 0.098 0.000 1.125 126 Y CB -0.645 37.912 38.460 0.162 0.000 0.975 126 Y HN 0.031 nan 8.280 nan 0.000 0.492 127 V N 0.920 120.949 119.914 0.192 0.000 2.287 127 V HA -0.359 3.761 4.120 -0.000 0.000 0.248 127 V C 2.295 178.465 176.094 0.127 0.000 1.053 127 V CA 2.521 64.908 62.300 0.144 0.000 1.027 127 V CB -0.634 31.330 31.823 0.234 0.000 0.646 127 V HN 0.368 nan 8.190 nan 0.000 0.447 128 R N -0.040 120.522 120.500 0.102 0.000 2.341 128 R HA -0.014 4.326 4.340 -0.000 0.000 0.213 128 R C 2.031 178.370 176.300 0.065 0.000 1.082 128 R CA 1.053 57.193 56.100 0.067 0.000 1.017 128 R CB -0.351 29.968 30.300 0.031 0.000 0.860 128 R HN 0.579 nan 8.270 nan 0.000 0.473 129 A N 1.154 123.991 122.820 0.028 0.000 1.942 129 A HA 0.081 4.401 4.320 -0.000 0.000 0.209 129 A C 1.714 179.279 177.584 -0.032 0.000 1.214 129 A CA 0.254 52.287 52.037 -0.007 0.000 0.686 129 A CB 0.125 19.107 19.000 -0.029 0.000 0.871 129 A HN 0.338 nan 8.150 nan 0.000 0.460 130 I N -3.848 116.655 120.570 -0.111 0.000 3.856 130 I HA 0.357 4.527 4.170 -0.000 0.000 0.333 130 I C 1.357 177.448 176.117 -0.044 0.000 1.525 130 I CA -0.302 60.921 61.300 -0.129 0.000 1.173 130 I CB -0.086 37.724 38.000 -0.316 0.000 1.175 130 I HN 0.216 nan 8.210 nan 0.000 0.424 131 Y N 2.557 122.837 120.300 -0.034 0.000 2.200 131 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 131 Y C 1.944 177.877 175.900 0.056 0.000 1.137 131 Y CA 1.628 59.756 58.100 0.048 0.000 1.163 131 Y CB -0.160 38.345 38.460 0.076 0.000 0.988 131 Y HN 0.345 nan 8.280 nan 0.000 0.518 132 D N 0.003 120.324 120.400 -0.131 0.000 2.354 132 D HA -0.126 4.514 4.640 -0.000 0.000 0.216 132 D C 1.462 177.637 176.300 -0.209 0.000 0.970 132 D CA 1.597 55.485 54.000 -0.187 0.000 0.905 132 D CB -0.127 40.658 40.800 -0.024 0.000 0.903 132 D HN 0.468 nan 8.370 nan 0.000 0.508 133 V N -1.303 118.494 119.914 -0.196 0.000 3.159 133 V HA 0.295 4.415 4.120 -0.000 0.000 0.333 133 V C 0.155 176.138 176.094 -0.184 0.000 1.424 133 V CA -0.643 61.554 62.300 -0.172 0.000 1.125 133 V CB -0.589 31.163 31.823 -0.119 0.000 1.075 133 V HN 0.067 nan 8.190 nan 0.000 0.482 134 I N -1.134 119.301 120.570 -0.227 0.000 2.785 134 I HA 1.008 5.178 4.170 -0.000 0.000 0.302 134 I C -0.501 175.490 176.117 -0.210 0.000 1.069 134 I CA -0.420 60.761 61.300 -0.199 0.000 1.045 134 I CB 2.149 40.040 38.000 -0.181 0.000 1.236 134 I HN 0.227 nan 8.210 nan 0.000 0.429 135 S N 3.377 118.969 115.700 -0.181 0.000 2.645 135 S HA 0.484 4.954 4.470 -0.000 0.000 0.268 135 S C -2.773 171.758 174.600 -0.115 0.000 1.110 135 S CA -0.666 57.468 58.200 -0.110 0.000 0.823 135 S CB 1.333 64.551 63.200 0.031 0.000 1.091 135 S HN 0.517 nan 8.310 nan 0.000 0.466 136 P HA 0.219 nan 4.420 nan 0.000 0.245 136 P C 0.042 177.275 177.300 -0.110 0.000 1.212 136 P CA 0.684 63.705 63.100 -0.131 0.000 0.774 136 P CB -0.250 31.270 31.700 -0.300 0.000 0.999 137 Y N -2.112 118.317 120.300 0.216 0.000 2.426 137 Y HA 0.176 4.726 4.550 -0.000 0.000 0.249 137 Y C 1.956 177.909 175.900 0.089 0.000 1.103 137 Y CA 0.483 58.710 58.100 0.213 0.000 1.256 137 Y CB -0.542 38.011 38.460 0.156 0.000 1.208 137 Y HN -0.111 nan 8.280 nan 0.000 0.519 138 T N -1.714 112.907 114.554 0.111 0.000 3.146 138 T HA 0.103 4.453 4.350 -0.000 0.000 0.235 138 T C -0.267 174.381 174.700 -0.086 0.000 0.985 138 T CA 0.584 62.661 62.100 -0.039 0.000 1.265 138 T CB 0.283 69.088 68.868 -0.105 0.000 0.946 138 T HN -0.126 nan 8.240 nan 0.000 0.418 139 D N 0.128 120.465 120.400 -0.104 0.000 2.855 139 D HA 0.440 5.080 4.640 -0.000 0.000 0.241 139 D C -1.687 174.525 176.300 -0.146 0.000 1.277 139 D CA -0.528 53.399 54.000 -0.121 0.000 0.918 139 D CB 1.108 41.843 40.800 -0.109 0.000 1.462 139 D HN 0.155 nan 8.370 nan 0.000 0.559 140 I N 5.252 125.704 120.570 -0.197 0.000 2.460 140 I HA 0.319 4.489 4.170 -0.000 0.000 0.277 140 I C -2.122 173.883 176.117 -0.186 0.000 1.057 140 I CA -1.766 59.408 61.300 -0.210 0.000 1.179 140 I CB 1.526 39.336 38.000 -0.318 0.000 1.329 140 I HN 0.090 nan 8.210 nan 0.000 0.478 141 P HA 0.372 nan 4.420 nan 0.000 0.285 141 P C -0.345 176.899 177.300 -0.094 0.000 1.282 141 P CA -0.188 62.868 63.100 -0.073 0.000 0.778 141 P CB 0.703 32.404 31.700 0.002 0.000 1.222 142 A N -1.409 121.361 122.820 -0.084 0.000 2.493 142 A HA 0.683 5.003 4.320 -0.000 0.000 0.300 142 A C -2.929 174.588 177.584 -0.111 0.000 1.152 142 A CA -1.030 50.950 52.037 -0.095 0.000 0.643 142 A CB 0.534 19.477 19.000 -0.094 0.000 1.316 142 A HN 0.305 nan 8.150 nan 0.000 0.469 143 P HA 0.556 nan 4.420 nan 0.000 0.286 143 P C -0.855 176.374 177.300 -0.117 0.000 1.261 143 P CA 0.385 63.393 63.100 -0.153 0.000 0.821 143 P CB 1.912 33.520 31.700 -0.153 0.000 1.013 144 D N 0.765 121.089 120.400 -0.126 0.000 3.237 144 D HA 0.222 4.862 4.640 -0.000 0.000 0.227 144 D C -0.670 175.595 176.300 -0.059 0.000 1.378 144 D CA -0.452 53.499 54.000 -0.081 0.000 1.066 144 D CB 0.662 41.422 40.800 -0.067 0.000 1.237 144 D HN -0.030 nan 8.370 nan 0.000 0.629 145 V N 2.366 122.248 119.914 -0.053 0.000 2.485 145 V HA 0.037 4.157 4.120 -0.000 0.000 0.287 145 V C -0.304 175.828 176.094 0.063 0.000 1.022 145 V CA 0.524 62.785 62.300 -0.065 0.000 1.067 145 V CB -0.242 31.474 31.823 -0.178 0.000 0.967 145 V HN 0.603 nan 8.190 nan 0.000 0.479 146 Y N 2.197 122.512 120.300 0.025 0.000 4.668 146 Y HA -0.201 4.349 4.550 -0.000 0.000 0.234 146 Y C 0.850 176.660 175.900 -0.149 0.000 1.056 146 Y CA 0.759 58.876 58.100 0.028 0.000 2.025 146 Y CB -2.608 35.957 38.460 0.176 0.000 1.613 146 Y HN 0.864 nan 8.280 nan 0.000 0.653 147 T N -1.266 113.194 114.554 -0.156 0.000 2.901 147 T HA 0.813 5.163 4.350 -0.000 0.000 0.293 147 T C -0.048 174.481 174.700 -0.285 0.000 1.084 147 T CA -0.231 61.583 62.100 -0.477 0.000 1.008 147 T CB 3.369 71.792 68.868 -0.742 0.000 1.170 147 T HN 0.276 nan 8.240 nan 0.000 0.509 148 N N -0.971 117.534 118.700 -0.324 0.000 3.364 148 N HA 0.495 5.235 4.740 -0.000 0.000 0.294 148 N C -2.817 172.529 175.510 -0.274 0.000 1.562 148 N CA -1.816 51.091 53.050 -0.240 0.000 0.862 148 N CB 0.039 38.404 38.487 -0.203 0.000 1.691 148 N HN 0.238 nan 8.380 nan 0.000 0.572 149 P HA -0.245 nan 4.420 nan 0.000 0.215 149 P C 1.313 178.403 177.300 -0.350 0.000 1.163 149 P CA 2.110 65.066 63.100 -0.241 0.000 0.894 149 P CB 0.155 31.742 31.700 -0.190 0.000 0.791 150 Q N -0.213 119.328 119.800 -0.432 0.000 2.096 150 Q HA -0.192 4.148 4.340 -0.000 0.000 0.208 150 Q C 1.985 177.389 176.000 -0.993 0.000 0.993 150 Q CA 1.886 57.258 55.803 -0.719 0.000 0.862 150 Q CB -1.227 27.047 28.738 -0.773 0.000 0.915 150 Q HN 0.201 nan 8.270 nan 0.000 0.416 151 I N -0.368 119.769 120.570 -0.722 0.000 2.252 151 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 151 I C 2.071 178.019 176.117 -0.282 0.000 1.102 151 I CA 1.079 62.072 61.300 -0.510 0.000 1.385 151 I CB -0.640 37.051 38.000 -0.515 0.000 1.064 151 I HN 0.334 nan 8.210 nan 0.000 0.414 152 M N 0.667 120.101 119.600 -0.276 0.000 2.117 152 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 152 M C 2.616 178.853 176.300 -0.104 0.000 1.065 152 M CA 1.798 57.003 55.300 -0.158 0.000 1.114 152 M CB -1.371 31.134 32.600 -0.158 0.000 1.361 152 M HN 0.233 nan 8.290 nan 0.000 0.408 153 A N -0.069 122.640 122.820 -0.186 0.000 1.877 153 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 153 A C 1.898 179.518 177.584 0.060 0.000 1.186 153 A CA 1.282 53.248 52.037 -0.118 0.000 0.620 153 A CB -1.012 17.866 19.000 -0.204 0.000 0.822 153 A HN 0.585 nan 8.150 nan 0.000 0.443 154 W N -0.523 120.771 121.300 -0.009 0.000 2.374 154 W HA -0.068 4.592 4.660 0.000 0.000 0.288 154 W C 2.356 178.909 176.519 0.057 0.000 1.218 154 W CA 0.965 58.324 57.345 0.024 0.000 1.245 154 W CB -0.970 28.504 29.460 0.025 0.000 1.126 154 W HN 0.327 nan 8.180 nan 0.000 0.545 155 M N -0.878 118.881 119.600 0.264 0.000 2.098 155 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 155 M C 2.379 178.805 176.300 0.210 0.000 1.072 155 M CA 1.342 56.776 55.300 0.224 0.000 1.133 155 M CB -0.768 31.932 32.600 0.166 0.000 1.344 155 M HN -0.227 nan 8.290 nan 0.000 0.414 156 M N 0.549 120.242 119.600 0.155 0.000 2.143 156 M HA -0.279 4.201 4.480 -0.000 0.000 0.258 156 M C 1.299 177.756 176.300 0.262 0.000 1.071 156 M CA 2.215 57.626 55.300 0.185 0.000 1.088 156 M CB -0.893 31.765 32.600 0.095 0.000 1.360 156 M HN 0.242 nan 8.290 nan 0.000 0.404 157 D N -0.377 120.154 120.400 0.219 0.000 2.084 157 D HA -0.209 4.431 4.640 -0.000 0.000 0.196 157 D C 1.824 178.229 176.300 0.175 0.000 0.985 157 D CA 1.635 55.755 54.000 0.199 0.000 0.826 157 D CB -0.028 40.886 40.800 0.191 0.000 0.978 157 D HN 0.369 nan 8.370 nan 0.000 0.456 158 E N -0.817 119.490 120.200 0.179 0.000 2.097 158 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 158 E C 1.830 178.506 176.600 0.127 0.000 1.000 158 E CA 1.083 57.559 56.400 0.127 0.000 0.804 158 E CB -0.647 29.136 29.700 0.139 0.000 0.740 158 E HN 0.474 nan 8.360 nan 0.000 0.454 159 Y N 1.619 121.976 120.300 0.094 0.000 2.040 159 Y HA -0.269 4.281 4.550 -0.000 0.000 0.275 159 Y C 2.034 177.985 175.900 0.085 0.000 1.171 159 Y CA 2.473 60.648 58.100 0.124 0.000 1.123 159 Y CB -0.482 38.088 38.460 0.184 0.000 0.963 159 Y HN 0.139 nan 8.280 nan 0.000 0.493 160 E N -1.071 119.167 120.200 0.064 0.000 2.130 160 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 160 E C 1.965 178.497 176.600 -0.115 0.000 0.998 160 E CA 1.963 58.339 56.400 -0.040 0.000 0.806 160 E CB -0.230 29.531 29.700 0.102 0.000 0.738 160 E HN 0.553 nan 8.360 nan 0.000 0.459 161 T N 0.734 115.244 114.554 -0.074 0.000 2.867 161 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 161 T C 1.928 176.519 174.700 -0.182 0.000 1.057 161 T CA 0.782 62.829 62.100 -0.089 0.000 1.136 161 T CB 0.005 68.849 68.868 -0.040 0.000 0.874 161 T HN 0.112 nan 8.240 nan 0.000 0.466 162 I N 1.234 121.614 120.570 -0.316 0.000 2.556 162 I HA -0.057 4.112 4.170 -0.000 0.000 0.251 162 I C 2.698 178.557 176.117 -0.431 0.000 1.105 162 I CA 0.825 61.830 61.300 -0.492 0.000 1.436 162 I CB -0.224 37.200 38.000 -0.960 0.000 1.139 162 I HN 0.235 nan 8.210 nan 0.000 0.438 163 S N 0.786 116.195 115.700 -0.486 0.000 2.442 163 S HA -0.181 4.289 4.470 -0.000 0.000 0.236 163 S C 1.214 175.717 174.600 -0.161 0.000 1.007 163 S CA 0.398 58.419 58.200 -0.298 0.000 0.965 163 S CB -0.062 62.792 63.200 -0.578 0.000 0.773 163 S HN 0.360 nan 8.310 nan 0.000 0.504 164 R N 0.216 120.617 120.500 -0.165 0.000 3.875 164 R HA -0.154 4.186 4.340 -0.000 0.000 0.321 164 R C 0.450 176.714 176.300 -0.059 0.000 1.196 164 R CA 1.014 57.060 56.100 -0.090 0.000 0.868 164 R CB -2.758 27.505 30.300 -0.062 0.000 1.333 164 R HN 0.752 nan 8.270 nan 0.000 0.522 165 R N -1.193 119.268 120.500 -0.065 0.000 3.951 165 R HA -0.205 4.135 4.340 -0.000 0.000 0.352 165 R C 0.336 176.631 176.300 -0.009 0.000 1.178 165 R CA 1.712 57.796 56.100 -0.028 0.000 0.949 165 R CB -1.072 29.212 30.300 -0.027 0.000 1.452 165 R HN 0.383 nan 8.270 nan 0.000 0.540 166 K N 1.202 121.602 120.400 -0.000 0.000 2.546 166 K HA -0.014 4.306 4.320 -0.000 0.000 0.198 166 K C -0.076 176.562 176.600 0.062 0.000 1.028 166 K CA 0.757 57.059 56.287 0.025 0.000 1.150 166 K CB 0.130 32.646 32.500 0.026 0.000 0.876 166 K HN 0.340 nan 8.250 nan 0.000 0.508 167 D N -2.163 118.281 120.400 0.073 0.000 2.653 167 D HA 0.077 4.717 4.640 -0.000 0.000 0.258 167 D C -3.015 173.338 176.300 0.089 0.000 1.252 167 D CA -2.111 51.959 54.000 0.117 0.000 0.777 167 D CB 0.553 41.462 40.800 0.183 0.000 1.339 167 D HN -0.326 nan 8.370 nan 0.000 0.422 168 P HA 0.119 nan 4.420 nan 0.000 0.232 168 P C 0.744 178.087 177.300 0.071 0.000 1.606 168 P CA 0.162 63.269 63.100 0.012 0.000 1.105 168 P CB -0.208 31.467 31.700 -0.042 0.000 1.919 169 S N 0.723 116.505 115.700 0.138 0.000 2.380 169 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 169 S C 1.329 176.156 174.600 0.379 0.000 1.043 169 S CA 1.199 59.586 58.200 0.312 0.000 1.038 169 S CB -0.721 62.633 63.200 0.257 0.000 0.872 169 S HN 0.276 nan 8.310 nan 0.000 0.456 170 F N 1.333 121.349 119.950 0.109 0.000 2.408 170 F HA 0.061 4.588 4.527 -0.000 0.000 0.300 170 F C 2.343 178.181 175.800 0.062 0.000 1.090 170 F CA 0.346 58.399 58.000 0.087 0.000 1.427 170 F CB -1.199 37.858 39.000 0.094 0.000 1.070 170 F HN 0.284 nan 8.300 nan 0.000 0.549 171 G N -1.378 107.561 108.800 0.232 0.000 2.939 171 G HA2 0.008 3.968 3.960 -0.000 0.000 0.210 171 G HA3 0.008 3.968 3.960 -0.000 0.000 0.210 171 G C 1.704 176.693 174.900 0.148 0.000 1.160 171 G CA 0.570 45.769 45.100 0.166 0.000 0.770 171 G HN 0.266 nan 8.290 nan 0.000 0.543 172 V N -0.064 119.868 119.914 0.030 0.000 2.913 172 V HA 0.335 4.455 4.120 -0.000 0.000 0.260 172 V C 0.660 176.686 176.094 -0.114 0.000 1.098 172 V CA 1.013 63.224 62.300 -0.147 0.000 1.121 172 V CB -0.183 31.317 31.823 -0.538 0.000 0.714 172 V HN 0.254 nan 8.190 nan 0.000 0.487 173 I N -0.449 120.100 120.570 -0.034 0.000 2.722 173 I HA 0.405 4.575 4.170 -0.000 0.000 0.295 173 I C 0.178 176.284 176.117 -0.017 0.000 1.161 173 I CA -0.242 61.033 61.300 -0.042 0.000 1.032 173 I CB 2.379 40.352 38.000 -0.044 0.000 1.244 173 I HN 0.199 nan 8.210 nan 0.000 0.421 174 T N 1.746 116.276 114.554 -0.040 0.000 2.893 174 T HA 0.591 4.941 4.350 -0.000 0.000 0.279 174 T C 0.825 175.487 174.700 -0.064 0.000 0.991 174 T CA -0.088 61.993 62.100 -0.032 0.000 0.950 174 T CB 1.227 70.080 68.868 -0.024 0.000 1.223 174 T HN 1.239 nan 8.240 nan 0.000 0.585 175 G N 0.669 109.434 108.800 -0.059 0.000 2.221 175 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.265 175 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.265 175 G C -0.072 174.765 174.900 -0.104 0.000 1.041 175 G CA 0.321 45.374 45.100 -0.078 0.000 0.807 175 G HN 0.829 nan 8.290 nan 0.000 0.502 176 K N 0.328 120.665 120.400 -0.105 0.000 2.107 176 K HA 0.452 4.772 4.320 -0.000 0.000 0.251 176 K C -2.136 174.380 176.600 -0.141 0.000 1.012 176 K CA -1.691 54.509 56.287 -0.144 0.000 0.920 176 K CB 0.803 33.198 32.500 -0.175 0.000 1.033 176 K HN 0.042 nan 8.250 nan 0.000 0.478 177 P HA 0.107 nan 4.420 nan 0.000 0.274 177 P C -2.263 174.957 177.300 -0.135 0.000 1.237 177 P CA -1.637 61.379 63.100 -0.139 0.000 0.793 177 P CB 0.184 31.794 31.700 -0.150 0.000 0.977 178 P HA -0.139 nan 4.420 nan 0.000 0.222 178 P C 1.438 178.670 177.300 -0.113 0.000 1.147 178 P CA 1.389 64.434 63.100 -0.091 0.000 0.790 178 P CB -0.344 31.319 31.700 -0.062 0.000 0.780 179 S N -0.669 114.965 115.700 -0.111 0.000 2.500 179 S HA -0.064 4.406 4.470 -0.000 0.000 0.239 179 S C 1.056 175.573 174.600 -0.139 0.000 0.989 179 S CA 1.043 59.184 58.200 -0.099 0.000 0.951 179 S CB -1.241 61.913 63.200 -0.076 0.000 0.759 179 S HN 0.146 nan 8.310 nan 0.000 0.523 180 V N -4.070 115.688 119.914 -0.261 0.000 2.786 180 V HA 0.811 4.931 4.120 -0.000 0.000 0.326 180 V C 0.677 176.257 176.094 -0.858 0.000 1.185 180 V CA -0.237 61.705 62.300 -0.596 0.000 1.355 180 V CB -0.277 31.143 31.823 -0.671 0.000 1.275 180 V HN 0.686 nan 8.190 nan 0.000 0.611 181 G N 0.340 108.946 108.800 -0.324 0.000 2.213 181 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.236 181 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.236 181 G C 0.846 175.767 174.900 0.035 0.000 0.991 181 G CA 0.053 45.157 45.100 0.006 0.000 0.629 181 G HN 1.881 nan 8.290 nan 0.000 0.517 182 G N 0.318 109.065 108.800 -0.088 0.000 2.544 182 G HA2 0.631 4.591 3.960 -0.000 0.000 0.242 182 G HA3 0.631 4.591 3.960 -0.000 0.000 0.242 182 G C 0.352 175.250 174.900 -0.004 0.000 1.247 182 G CA 0.277 45.343 45.100 -0.056 0.000 0.840 182 G HN 1.506 nan 8.290 nan 0.000 0.578 183 I N -1.416 119.154 120.570 -0.000 0.000 3.067 183 I HA 0.591 4.761 4.170 -0.000 0.000 0.312 183 I C 0.167 176.285 176.117 0.003 0.000 1.073 183 I CA -1.198 60.111 61.300 0.014 0.000 1.016 183 I CB 1.988 39.987 38.000 -0.001 0.000 1.227 183 I HN 0.238 nan 8.210 nan 0.000 0.456 184 V N 1.556 121.478 119.914 0.014 0.000 3.263 184 V HA 0.123 4.243 4.120 -0.000 0.000 0.248 184 V C 2.302 178.402 176.094 0.009 0.000 1.145 184 V CA 1.300 63.605 62.300 0.008 0.000 1.107 184 V CB 0.432 32.262 31.823 0.011 0.000 0.797 184 V HN 0.942 nan 8.190 nan 0.000 0.467 185 A N 1.023 123.861 122.820 0.031 0.000 2.248 185 A HA -0.167 4.153 4.320 -0.000 0.000 0.210 185 A C 2.190 179.781 177.584 0.012 0.000 1.174 185 A CA 1.317 53.375 52.037 0.035 0.000 0.750 185 A CB -0.684 18.374 19.000 0.096 0.000 0.780 185 A HN 0.595 nan 8.150 nan 0.000 0.478 186 R N -0.869 119.635 120.500 0.005 0.000 2.285 186 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 186 R C 1.652 177.925 176.300 -0.044 0.000 1.068 186 R CA 1.317 57.411 56.100 -0.009 0.000 1.004 186 R CB -0.351 29.943 30.300 -0.010 0.000 0.873 186 R HN 0.497 nan 8.270 nan 0.000 0.467 187 M N 1.472 121.030 119.600 -0.070 0.000 2.156 187 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 187 M C 0.493 176.650 176.300 -0.238 0.000 1.067 187 M CA 1.984 57.225 55.300 -0.098 0.000 1.131 187 M CB 0.182 32.740 32.600 -0.070 0.000 1.368 187 M HN 0.242 nan 8.290 nan 0.000 0.416 188 D N -0.924 119.243 120.400 -0.388 0.000 2.462 188 D HA 0.193 4.833 4.640 -0.000 0.000 0.221 188 D C 1.221 177.367 176.300 -0.256 0.000 1.173 188 D CA 0.402 54.055 54.000 -0.578 0.000 0.831 188 D CB -0.387 39.870 40.800 -0.904 0.000 1.001 188 D HN 0.161 nan 8.370 nan 0.000 0.499 189 A N 0.954 123.691 122.820 -0.138 0.000 1.859 189 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 189 A C 2.241 179.789 177.584 -0.060 0.000 1.198 189 A CA 2.373 54.374 52.037 -0.061 0.000 0.629 189 A CB -1.290 17.698 19.000 -0.020 0.000 0.830 189 A HN 0.279 nan 8.150 nan 0.000 0.446 190 T N -0.015 114.510 114.554 -0.048 0.000 2.720 190 T HA -0.063 4.287 4.350 -0.000 0.000 0.268 190 T C 2.123 176.791 174.700 -0.052 0.000 1.037 190 T CA 1.874 63.955 62.100 -0.032 0.000 1.144 190 T CB -0.419 68.444 68.868 -0.009 0.000 0.864 190 T HN 0.631 nan 8.240 nan 0.000 0.444 191 A N 1.154 123.936 122.820 -0.064 0.000 1.898 191 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 191 A C 2.223 179.721 177.584 -0.144 0.000 1.183 191 A CA 1.588 53.582 52.037 -0.071 0.000 0.622 191 A CB -0.469 18.523 19.000 -0.013 0.000 0.824 191 A HN 0.436 nan 8.150 nan 0.000 0.444 192 R N -0.259 120.132 120.500 -0.182 0.000 2.070 192 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 192 R C 2.219 178.245 176.300 -0.456 0.000 1.138 192 R CA 1.957 57.882 56.100 -0.292 0.000 0.936 192 R CB -0.954 29.221 30.300 -0.209 0.000 0.839 192 R HN 0.367 nan 8.270 nan 0.000 0.429 193 G N -0.336 108.334 108.800 -0.218 0.000 2.450 193 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 193 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 193 G C 1.513 176.332 174.900 -0.134 0.000 1.130 193 G CA 0.793 45.843 45.100 -0.084 0.000 0.760 193 G HN 0.530 nan 8.290 nan 0.000 0.557 194 A N 1.192 123.917 122.820 -0.159 0.000 1.969 194 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 194 A C 2.734 180.182 177.584 -0.226 0.000 1.169 194 A CA 2.271 54.219 52.037 -0.148 0.000 0.635 194 A CB -0.586 18.350 19.000 -0.107 0.000 0.810 194 A HN 0.658 nan 8.150 nan 0.000 0.445 195 S N -0.847 114.662 115.700 -0.319 0.000 2.355 195 S HA -0.215 4.255 4.470 -0.000 0.000 0.222 195 S C 1.870 176.229 174.600 -0.402 0.000 1.031 195 S CA 1.422 59.385 58.200 -0.396 0.000 0.993 195 S CB -0.953 62.034 63.200 -0.354 0.000 0.859 195 S HN 0.485 nan 8.310 nan 0.000 0.453 196 Y N 3.409 123.603 120.300 -0.175 0.000 2.062 196 Y HA -0.211 4.339 4.550 -0.000 0.000 0.276 196 Y C 3.372 179.098 175.900 -0.291 0.000 1.189 196 Y CA 1.124 59.130 58.100 -0.158 0.000 1.130 196 Y CB -1.963 36.469 38.460 -0.046 0.000 0.959 196 Y HN 0.615 nan 8.280 nan 0.000 0.499 197 T N -2.548 111.908 114.554 -0.164 0.000 2.720 197 T HA -0.165 4.185 4.350 -0.000 0.000 0.268 197 T C 2.041 176.379 174.700 -0.603 0.000 1.037 197 T CA 1.640 63.464 62.100 -0.460 0.000 1.144 197 T CB -1.139 67.543 68.868 -0.310 0.000 0.864 197 T HN 0.139 nan 8.240 nan 0.000 0.444 198 V N 1.542 121.212 119.914 -0.406 0.000 2.407 198 V HA -0.098 4.022 4.120 -0.000 0.000 0.248 198 V C 3.021 178.879 176.094 -0.393 0.000 1.055 198 V CA 1.936 64.012 62.300 -0.372 0.000 1.049 198 V CB -0.797 30.838 31.823 -0.312 0.000 0.662 198 V HN 0.498 nan 8.190 nan 0.000 0.455 199 R N -0.079 120.173 120.500 -0.413 0.000 2.073 199 R HA -0.177 4.163 4.340 -0.000 0.000 0.234 199 R C 2.347 178.505 176.300 -0.237 0.000 1.134 199 R CA 1.714 57.626 56.100 -0.314 0.000 0.952 199 R CB -0.138 30.036 30.300 -0.211 0.000 0.850 199 R HN 0.436 nan 8.270 nan 0.000 0.433 200 E N 0.372 120.352 120.200 -0.367 0.000 2.077 200 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 200 E C 1.820 178.063 176.600 -0.594 0.000 0.989 200 E CA 1.340 57.476 56.400 -0.440 0.000 0.800 200 E CB -0.379 28.827 29.700 -0.823 0.000 0.746 200 E HN 0.448 nan 8.360 nan 0.000 0.452 201 A N 1.178 123.486 122.820 -0.854 0.000 1.972 201 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 201 A C 2.325 179.823 177.584 -0.144 0.000 1.169 201 A CA 1.820 53.599 52.037 -0.430 0.000 0.635 201 A CB -0.449 18.334 19.000 -0.362 0.000 0.810 201 A HN 0.243 nan 8.150 nan 0.000 0.446 202 A N -0.701 122.028 122.820 -0.153 0.000 2.119 202 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 202 A C 2.055 179.646 177.584 0.010 0.000 1.153 202 A CA 1.474 53.479 52.037 -0.054 0.000 0.692 202 A CB -0.232 18.727 19.000 -0.068 0.000 0.799 202 A HN 0.530 nan 8.150 nan 0.000 0.458 203 K N -0.522 119.896 120.400 0.031 0.000 2.067 203 K HA 0.124 4.444 4.320 -0.000 0.000 0.203 203 K C 2.333 179.032 176.600 0.166 0.000 1.048 203 K CA 0.780 57.141 56.287 0.123 0.000 0.954 203 K CB -0.256 32.377 32.500 0.223 0.000 0.737 203 K HN 0.365 nan 8.250 nan 0.000 0.444 204 A N 1.245 124.152 122.820 0.145 0.000 1.997 204 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 204 A C 1.711 179.411 177.584 0.194 0.000 1.172 204 A CA 1.523 53.630 52.037 0.118 0.000 0.645 204 A CB -0.312 18.603 19.000 -0.143 0.000 0.813 204 A HN 0.124 nan 8.150 nan 0.000 0.454 205 L N -1.171 120.135 121.223 0.138 0.000 2.607 205 L HA 0.263 4.603 4.340 -0.000 0.000 0.228 205 L C 1.454 178.382 176.870 0.097 0.000 1.123 205 L CA 0.700 55.615 54.840 0.125 0.000 0.890 205 L CB -1.238 40.877 42.059 0.092 0.000 1.103 205 L HN 0.611 nan 8.230 nan 0.000 0.468 206 G N 1.766 110.624 108.800 0.096 0.000 2.367 206 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.295 206 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.295 206 G C 0.086 175.020 174.900 0.058 0.000 1.019 206 G CA 0.826 45.971 45.100 0.076 0.000 1.224 206 G HN 0.446 nan 8.290 nan 0.000 0.510 207 M N -0.448 119.182 119.600 0.049 0.000 2.371 207 M HA 0.652 5.132 4.480 -0.000 0.000 0.287 207 M C -1.596 174.724 176.300 0.033 0.000 1.149 207 M CA -1.107 54.216 55.300 0.038 0.000 0.929 207 M CB 2.317 34.936 32.600 0.032 0.000 1.683 207 M HN 0.009 nan 8.290 nan 0.000 0.470 208 D N 3.870 124.291 120.400 0.035 0.000 2.347 208 D HA 0.342 4.982 4.640 -0.000 0.000 0.235 208 D C 0.684 177.007 176.300 0.037 0.000 1.149 208 D CA -0.311 53.713 54.000 0.040 0.000 0.850 208 D CB 0.985 41.810 40.800 0.042 0.000 1.061 208 D HN 0.837 nan 8.370 nan 0.000 0.487 209 L N 2.733 123.979 121.223 0.039 0.000 2.187 209 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 209 L C 1.465 178.365 176.870 0.051 0.000 1.100 209 L CA 0.716 55.577 54.840 0.035 0.000 0.765 209 L CB -0.509 41.565 42.059 0.025 0.000 0.904 209 L HN 0.345 nan 8.230 nan 0.000 0.437 210 K N 0.864 121.301 120.400 0.062 0.000 2.453 210 K HA 0.112 4.432 4.320 -0.000 0.000 0.280 210 K C 1.128 177.750 176.600 0.037 0.000 1.045 210 K CA 0.923 57.242 56.287 0.053 0.000 1.059 210 K CB 0.213 32.742 32.500 0.048 0.000 0.901 210 K HN 0.232 nan 8.250 nan 0.000 0.475 211 G N 2.756 111.575 108.800 0.032 0.000 2.199 211 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 211 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 211 G C -0.072 174.841 174.900 0.023 0.000 0.982 211 G CA 0.267 45.381 45.100 0.023 0.000 0.632 211 G HN 0.553 nan 8.290 nan 0.000 0.529 212 K N 1.077 121.493 120.400 0.026 0.000 2.118 212 K HA 0.611 4.931 4.320 -0.000 0.000 0.240 212 K C 0.915 177.527 176.600 0.020 0.000 1.035 212 K CA 0.491 56.791 56.287 0.022 0.000 0.899 212 K CB 0.259 32.770 32.500 0.019 0.000 1.085 212 K HN 0.612 nan 8.250 nan 0.000 0.498 213 T N -2.337 112.230 114.554 0.020 0.000 2.918 213 T HA 0.740 5.090 4.350 -0.000 0.000 0.286 213 T C -0.118 174.593 174.700 0.019 0.000 1.026 213 T CA -0.849 61.265 62.100 0.022 0.000 1.031 213 T CB 0.929 69.818 68.868 0.035 0.000 1.046 213 T HN 0.489 nan 8.240 nan 0.000 0.479 214 I N 1.155 121.736 120.570 0.020 0.000 2.656 214 I HA 0.710 4.880 4.170 -0.000 0.000 0.292 214 I C -1.433 174.701 176.117 0.029 0.000 1.144 214 I CA -0.954 60.356 61.300 0.018 0.000 1.038 214 I CB 1.804 39.808 38.000 0.005 0.000 1.244 214 I HN 1.067 nan 8.210 nan 0.000 0.420 215 A N 8.033 130.874 122.820 0.035 0.000 2.343 215 A HA 0.788 5.108 4.320 -0.000 0.000 0.308 215 A C -1.191 176.419 177.584 0.044 0.000 1.092 215 A CA -0.428 51.637 52.037 0.046 0.000 0.751 215 A CB 0.854 19.889 19.000 0.059 0.000 1.203 215 A HN 0.623 nan 8.150 nan 0.000 0.452 216 I N 1.998 122.600 120.570 0.053 0.000 2.339 216 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 216 I C 0.349 176.513 176.117 0.078 0.000 0.994 216 I CA -0.212 61.131 61.300 0.071 0.000 1.191 216 I CB 1.858 39.925 38.000 0.111 0.000 1.343 216 I HN 0.775 nan 8.210 nan 0.000 0.458 217 Q N 6.258 126.099 119.800 0.068 0.000 2.337 217 Q HA 0.541 4.881 4.340 -0.000 0.000 0.255 217 Q C -0.146 175.906 176.000 0.087 0.000 0.997 217 Q CA -0.184 55.659 55.803 0.067 0.000 0.925 217 Q CB 1.020 29.788 28.738 0.050 0.000 1.212 217 Q HN 0.930 nan 8.270 nan 0.000 0.436 218 G N 3.137 112.003 108.800 0.111 0.000 2.784 218 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.686 218 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.686 218 G C -1.742 173.302 174.900 0.240 0.000 1.156 218 G CA -0.709 44.472 45.100 0.135 0.000 0.757 218 G HN 0.579 nan 8.290 nan 0.000 0.642 219 Y N 2.325 122.649 120.300 0.040 0.000 2.490 219 Y HA 0.553 5.102 4.550 -0.000 0.000 0.346 219 Y C 0.968 176.899 175.900 0.051 0.000 1.023 219 Y CA 0.185 58.314 58.100 0.049 0.000 1.142 219 Y CB 0.428 38.911 38.460 0.038 0.000 1.126 219 Y HN 0.991 nan 8.280 nan 0.000 0.647 220 G N 0.732 109.519 108.800 -0.022 0.000 2.782 220 G HA2 0.018 3.978 3.960 -0.000 0.000 0.201 220 G HA3 0.018 3.978 3.960 -0.000 0.000 0.201 220 G C 0.592 175.433 174.900 -0.099 0.000 1.374 220 G CA -0.354 44.719 45.100 -0.044 0.000 1.039 220 G HN 0.356 nan 8.290 nan 0.000 0.576 221 N N -0.419 118.271 118.700 -0.016 0.000 2.084 221 N HA -0.076 4.664 4.740 -0.000 0.000 0.190 221 N C 2.421 177.998 175.510 0.111 0.000 1.030 221 N CA 1.960 55.048 53.050 0.064 0.000 0.849 221 N CB -0.300 38.263 38.487 0.127 0.000 1.012 221 N HN 0.446 nan 8.380 nan 0.000 0.423 222 A N -0.197 122.665 122.820 0.071 0.000 1.851 222 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 222 A C 2.341 179.932 177.584 0.012 0.000 1.195 222 A CA 2.061 54.133 52.037 0.059 0.000 0.622 222 A CB -1.573 17.448 19.000 0.036 0.000 0.831 222 A HN 0.439 nan 8.150 nan 0.000 0.444 223 G N -1.588 107.201 108.800 -0.019 0.000 2.459 223 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 223 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 223 G C 1.578 176.375 174.900 -0.173 0.000 1.183 223 G CA 1.442 46.531 45.100 -0.019 0.000 0.776 223 G HN 0.642 nan 8.290 nan 0.000 0.552 224 Y N 0.584 120.507 120.300 -0.629 0.000 2.114 224 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 224 Y C 2.543 178.216 175.900 -0.379 0.000 1.165 224 Y CA 1.578 59.129 58.100 -0.916 0.000 1.148 224 Y CB -0.633 37.205 38.460 -1.037 0.000 0.972 224 Y HN 0.248 nan 8.280 nan 0.000 0.504 225 Y N -0.779 119.177 120.300 -0.574 0.000 2.242 225 Y HA -0.227 4.323 4.550 -0.000 0.000 0.291 225 Y C 2.632 178.338 175.900 -0.323 0.000 1.137 225 Y CA 1.752 59.534 58.100 -0.531 0.000 1.181 225 Y CB -0.789 37.516 38.460 -0.257 0.000 0.989 225 Y HN 0.294 nan 8.280 nan 0.000 0.527 226 M N 0.086 119.651 119.600 -0.059 0.000 2.080 226 M HA -0.165 4.315 4.480 -0.000 0.000 0.260 226 M C 2.296 178.570 176.300 -0.044 0.000 1.068 226 M CA 1.992 57.267 55.300 -0.041 0.000 1.109 226 M CB -0.803 31.785 32.600 -0.021 0.000 1.342 226 M HN 0.165 nan 8.290 nan 0.000 0.405 227 A N -0.276 122.515 122.820 -0.049 0.000 1.883 227 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 227 A C 2.279 179.828 177.584 -0.058 0.000 1.186 227 A CA 2.306 54.345 52.037 0.004 0.000 0.624 227 A CB -0.904 18.194 19.000 0.162 0.000 0.822 227 A HN 0.615 nan 8.150 nan 0.000 0.444 228 K N -0.434 119.838 120.400 -0.214 0.000 2.026 228 K HA -0.105 4.215 4.320 -0.000 0.000 0.208 228 K C 1.847 178.412 176.600 -0.059 0.000 1.048 228 K CA 1.659 57.833 56.287 -0.189 0.000 0.929 228 K CB -0.326 31.909 32.500 -0.443 0.000 0.713 228 K HN 0.514 nan 8.250 nan 0.000 0.439 229 I N 0.685 121.237 120.570 -0.031 0.000 2.110 229 I HA -0.281 3.889 4.170 -0.000 0.000 0.236 229 I C 2.366 178.544 176.117 0.101 0.000 1.068 229 I CA 0.832 62.150 61.300 0.029 0.000 1.333 229 I CB -0.306 37.717 38.000 0.038 0.000 1.054 229 I HN 0.180 nan 8.210 nan 0.000 0.402 230 M N 0.898 120.570 119.600 0.121 0.000 2.146 230 M HA -0.241 4.239 4.480 -0.000 0.000 0.256 230 M C 2.568 178.956 176.300 0.146 0.000 1.075 230 M CA 2.349 57.753 55.300 0.174 0.000 1.082 230 M CB -1.671 30.957 32.600 0.047 0.000 1.355 230 M HN 0.507 nan 8.290 nan 0.000 0.402 231 S N -1.023 114.719 115.700 0.069 0.000 2.356 231 S HA -0.036 4.434 4.470 -0.000 0.000 0.219 231 S C 1.914 176.530 174.600 0.026 0.000 1.036 231 S CA 0.870 59.096 58.200 0.043 0.000 0.965 231 S CB -0.404 62.809 63.200 0.022 0.000 0.864 231 S HN 0.520 nan 8.310 nan 0.000 0.471 232 E N 1.025 121.231 120.200 0.010 0.000 2.072 232 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 232 E C 2.162 178.729 176.600 -0.056 0.000 0.985 232 E CA 1.295 57.688 56.400 -0.012 0.000 0.801 232 E CB -0.021 29.674 29.700 -0.009 0.000 0.750 232 E HN 0.702 nan 8.360 nan 0.000 0.452 233 E N -0.999 119.140 120.200 -0.102 0.000 2.201 233 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 233 E C 0.981 177.288 176.600 -0.488 0.000 0.957 233 E CA 0.389 56.604 56.400 -0.309 0.000 0.858 233 E CB 0.314 29.760 29.700 -0.424 0.000 0.816 233 E HN 0.259 nan 8.360 nan 0.000 0.475 234 Y N -0.435 119.863 120.300 -0.003 0.000 2.458 234 Y HA 0.288 4.838 4.550 -0.000 0.000 0.256 234 Y C 1.200 177.100 175.900 -0.000 0.000 1.159 234 Y CA 0.241 58.341 58.100 0.000 0.000 1.261 234 Y CB 1.230 39.685 38.460 -0.009 0.000 1.119 234 Y HN 0.035 nan 8.280 nan 0.000 0.524 235 G N 1.211 110.058 108.800 0.079 0.000 2.272 235 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.280 235 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.280 235 G C 0.020 174.954 174.900 0.057 0.000 1.067 235 G CA 0.135 45.265 45.100 0.050 0.000 0.902 235 G HN 0.258 nan 8.290 nan 0.000 0.500 236 M N -0.997 118.642 119.600 0.065 0.000 2.513 236 M HA 0.483 4.963 4.480 -0.000 0.000 0.291 236 M C 0.725 177.040 176.300 0.024 0.000 1.190 236 M CA -0.348 54.979 55.300 0.044 0.000 0.960 236 M CB 1.231 33.857 32.600 0.044 0.000 1.517 236 M HN 0.028 nan 8.290 nan 0.000 0.499 237 K N 1.093 121.501 120.400 0.013 0.000 2.307 237 K HA 0.447 4.767 4.320 -0.000 0.000 0.263 237 K C -1.504 175.092 176.600 -0.007 0.000 0.973 237 K CA -0.464 55.821 56.287 -0.003 0.000 0.846 237 K CB 1.571 34.066 32.500 -0.009 0.000 1.100 237 K HN 0.381 nan 8.250 nan 0.000 0.438 238 V N 5.215 125.118 119.914 -0.018 0.000 2.339 238 V HA 0.007 4.127 4.120 -0.000 0.000 0.261 238 V C 1.173 177.230 176.094 -0.062 0.000 1.058 238 V CA -0.303 61.983 62.300 -0.023 0.000 0.897 238 V CB 0.587 32.400 31.823 -0.018 0.000 1.052 238 V HN 0.695 nan 8.190 nan 0.000 0.480 239 V N 1.773 121.654 119.914 -0.054 0.000 3.406 239 V HA 0.656 4.776 4.120 -0.000 0.000 0.263 239 V C 0.738 176.762 176.094 -0.117 0.000 1.172 239 V CA 0.864 63.078 62.300 -0.142 0.000 1.140 239 V CB -0.083 31.675 31.823 -0.108 0.000 0.784 239 V HN 0.863 nan 8.190 nan 0.000 0.467 240 A N -0.871 121.943 122.820 -0.009 0.000 2.555 240 A HA 0.781 5.101 4.320 -0.000 0.000 0.297 240 A C -1.169 176.410 177.584 -0.009 0.000 1.060 240 A CA -0.252 51.806 52.037 0.035 0.000 0.710 240 A CB 1.949 21.059 19.000 0.182 0.000 1.282 240 A HN 0.305 nan 8.150 nan 0.000 0.399 241 V N 0.723 120.597 119.914 -0.066 0.000 3.158 241 V HA 0.968 5.087 4.120 -0.000 0.000 0.311 241 V C 0.112 176.165 176.094 -0.068 0.000 1.181 241 V CA 0.335 62.577 62.300 -0.097 0.000 1.054 241 V CB 2.448 34.062 31.823 -0.348 0.000 1.085 241 V HN 1.855 nan 8.190 nan 0.000 0.446 242 S N 0.977 116.664 115.700 -0.022 0.000 2.615 242 S HA 0.747 5.216 4.470 -0.000 0.000 0.269 242 S C -2.061 172.576 174.600 0.062 0.000 1.161 242 S CA -0.400 57.808 58.200 0.014 0.000 0.817 242 S CB 2.318 65.538 63.200 0.034 0.000 1.131 242 S HN 1.084 nan 8.310 nan 0.000 0.467 243 D N -0.377 120.060 120.400 0.063 0.000 2.752 243 D HA 0.341 4.981 4.640 -0.000 0.000 0.313 243 D C 1.012 177.353 176.300 0.068 0.000 1.225 243 D CA 0.125 54.175 54.000 0.085 0.000 0.976 243 D CB 0.330 41.193 40.800 0.105 0.000 1.443 243 D HN 0.502 nan 8.370 nan 0.000 0.515 244 T N 0.277 114.871 114.554 0.067 0.000 2.736 244 T HA -0.248 4.102 4.350 -0.000 0.000 0.265 244 T C 1.394 176.123 174.700 0.048 0.000 1.031 244 T CA 2.216 64.349 62.100 0.054 0.000 1.155 244 T CB -0.225 68.674 68.868 0.052 0.000 0.849 244 T HN 0.474 nan 8.240 nan 0.000 0.471 245 K N 0.139 120.571 120.400 0.053 0.000 2.365 245 K HA 0.438 4.758 4.320 -0.000 0.000 0.195 245 K C 1.043 177.673 176.600 0.051 0.000 1.079 245 K CA 0.317 56.634 56.287 0.049 0.000 0.979 245 K CB 1.007 33.537 32.500 0.050 0.000 0.929 245 K HN 0.427 nan 8.250 nan 0.000 0.523 246 G N -0.378 108.456 108.800 0.055 0.000 2.320 246 G HA2 0.430 4.390 3.960 -0.000 0.000 0.296 246 G HA3 0.430 4.390 3.960 -0.000 0.000 0.296 246 G C -1.341 173.588 174.900 0.048 0.000 1.306 246 G CA -0.516 44.614 45.100 0.051 0.000 0.836 246 G HN 0.129 nan 8.290 nan 0.000 0.517 247 G N -1.227 107.599 108.800 0.043 0.000 2.735 247 G HA2 0.893 4.853 3.960 -0.000 0.000 0.301 247 G HA3 0.893 4.853 3.960 -0.000 0.000 0.301 247 G C -0.444 174.480 174.900 0.040 0.000 1.279 247 G CA -0.370 44.749 45.100 0.032 0.000 1.019 247 G HN 1.515 nan 8.290 nan 0.000 0.497 248 I N -2.825 117.760 120.570 0.026 0.000 2.865 248 I HA 0.779 4.949 4.170 -0.000 0.000 0.302 248 I C -1.907 174.267 176.117 0.094 0.000 1.140 248 I CA -1.283 60.043 61.300 0.044 0.000 1.021 248 I CB 2.686 40.679 38.000 -0.011 0.000 1.233 248 I HN 0.478 nan 8.210 nan 0.000 0.427 249 Y N 4.095 124.381 120.300 -0.022 0.000 2.512 249 Y HA 0.662 5.212 4.550 -0.000 0.000 0.348 249 Y C -1.274 174.620 175.900 -0.011 0.000 0.990 249 Y CA -0.883 57.205 58.100 -0.019 0.000 1.033 249 Y CB 1.925 40.379 38.460 -0.011 0.000 1.259 249 Y HN 0.811 nan 8.280 nan 0.000 0.461 250 N N 6.882 124.985 118.700 -0.995 0.000 3.321 250 N HA 0.186 4.926 4.740 -0.000 0.000 0.217 250 N C -2.792 172.317 175.510 -0.667 0.000 1.405 250 N CA -1.521 51.105 53.050 -0.706 0.000 0.799 250 N CB 1.327 39.654 38.487 -0.267 0.000 1.619 250 N HN 0.319 nan 8.380 nan 0.000 0.648 251 P HA -0.136 nan 4.420 nan 0.000 0.218 251 P C 0.374 177.569 177.300 -0.174 0.000 1.150 251 P CA 1.429 64.328 63.100 -0.334 0.000 0.841 251 P CB 0.341 31.974 31.700 -0.112 0.000 0.784 252 D N -1.271 119.035 120.400 -0.156 0.000 2.350 252 D HA 0.223 4.863 4.640 -0.000 0.000 0.216 252 D C 0.916 177.165 176.300 -0.084 0.000 0.968 252 D CA 1.386 55.334 54.000 -0.088 0.000 0.894 252 D CB -0.449 40.311 40.800 -0.066 0.000 0.909 252 D HN 0.255 nan 8.370 nan 0.000 0.520 253 G N -0.362 108.361 108.800 -0.128 0.000 2.895 253 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 253 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 253 G C -0.509 174.343 174.900 -0.080 0.000 1.108 253 G CA -0.888 44.152 45.100 -0.101 0.000 0.761 253 G HN 0.150 nan 8.290 nan 0.000 0.611 254 L N 1.280 122.448 121.223 -0.092 0.000 2.469 254 L HA 0.626 4.966 4.340 -0.000 0.000 0.253 254 L C 0.817 177.655 176.870 -0.053 0.000 1.143 254 L CA -1.170 53.616 54.840 -0.091 0.000 0.804 254 L CB 0.835 42.779 42.059 -0.191 0.000 1.214 254 L HN 0.684 nan 8.230 nan 0.000 0.476 255 N N 0.147 118.819 118.700 -0.047 0.000 2.476 255 N HA 0.306 5.046 4.740 -0.000 0.000 0.257 255 N C 0.391 175.914 175.510 0.022 0.000 0.970 255 N CA -0.011 53.044 53.050 0.009 0.000 0.938 255 N CB 1.835 40.353 38.487 0.052 0.000 1.144 255 N HN 0.722 nan 8.380 nan 0.000 0.500 256 A N 3.678 126.554 122.820 0.094 0.000 1.958 256 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 256 A C 1.438 179.253 177.584 0.385 0.000 1.178 256 A CA 1.808 54.007 52.037 0.271 0.000 0.642 256 A CB -0.258 18.862 19.000 0.199 0.000 0.816 256 A HN 0.741 nan 8.150 nan 0.000 0.453 257 D N -0.640 119.918 120.400 0.263 0.000 2.085 257 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 257 D C 1.932 178.303 176.300 0.117 0.000 0.981 257 D CA 1.382 55.498 54.000 0.193 0.000 0.834 257 D CB -0.672 40.218 40.800 0.150 0.000 0.992 257 D HN 0.626 nan 8.370 nan 0.000 0.457 258 E N 0.330 120.599 120.200 0.115 0.000 2.108 258 E HA -0.176 4.174 4.350 -0.000 0.000 0.203 258 E C 2.241 178.897 176.600 0.095 0.000 1.022 258 E CA 1.150 57.655 56.400 0.174 0.000 0.823 258 E CB 0.006 29.868 29.700 0.270 0.000 0.744 258 E HN 0.064 nan 8.360 nan 0.000 0.456 259 V N 1.075 120.858 119.914 -0.218 0.000 2.343 259 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 259 V C 2.317 178.411 176.094 -0.000 0.000 1.051 259 V CA 1.563 63.592 62.300 -0.451 0.000 1.036 259 V CB -0.493 30.942 31.823 -0.647 0.000 0.654 259 V HN 0.254 nan 8.190 nan 0.000 0.451 260 L N 0.997 122.313 121.223 0.155 0.000 2.079 260 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 260 L C 2.388 179.292 176.870 0.057 0.000 1.081 260 L CA 2.349 57.256 54.840 0.111 0.000 0.752 260 L CB -0.803 41.103 42.059 -0.255 0.000 0.896 260 L HN 0.215 nan 8.230 nan 0.000 0.433 261 A N -0.922 121.956 122.820 0.096 0.000 1.929 261 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 261 A C 2.247 179.946 177.584 0.191 0.000 1.176 261 A CA 1.327 53.431 52.037 0.111 0.000 0.628 261 A CB -1.310 17.764 19.000 0.123 0.000 0.816 261 A HN 0.789 nan 8.150 nan 0.000 0.444 262 W N 1.144 122.504 121.300 0.100 0.000 2.333 262 W HA -0.238 4.422 4.660 0.000 0.000 0.316 262 W C 2.018 178.580 176.519 0.073 0.000 1.215 262 W CA 2.260 59.685 57.345 0.134 0.000 1.278 262 W CB -0.284 29.359 29.460 0.304 0.000 1.154 262 W HN 0.370 nan 8.180 nan 0.000 0.486 263 K N 0.756 121.281 120.400 0.208 0.000 2.097 263 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 263 K C 2.223 178.801 176.600 -0.038 0.000 1.049 263 K CA 1.809 58.131 56.287 0.058 0.000 0.933 263 K CB -0.173 32.414 32.500 0.144 0.000 0.717 263 K HN -0.051 nan 8.250 nan 0.000 0.442 264 K N 0.633 121.024 120.400 -0.016 0.000 1.985 264 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 264 K C 2.002 178.551 176.600 -0.085 0.000 1.047 264 K CA 1.226 57.484 56.287 -0.048 0.000 0.932 264 K CB -0.171 32.304 32.500 -0.042 0.000 0.716 264 K HN 0.092 nan 8.250 nan 0.000 0.439 265 K N 0.386 120.728 120.400 -0.097 0.000 2.148 265 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 265 K C 1.929 178.378 176.600 -0.251 0.000 1.050 265 K CA 1.144 57.347 56.287 -0.140 0.000 0.942 265 K CB -0.130 32.308 32.500 -0.104 0.000 0.724 265 K HN 0.151 nan 8.250 nan 0.000 0.446 266 T N -1.187 113.130 114.554 -0.395 0.000 3.014 266 T HA 0.154 4.504 4.350 -0.000 0.000 0.250 266 T C 1.103 175.612 174.700 -0.318 0.000 1.060 266 T CA 0.774 62.546 62.100 -0.547 0.000 1.040 266 T CB 0.521 68.626 68.868 -1.272 0.000 0.971 266 T HN 0.454 nan 8.240 nan 0.000 0.497 267 G N 1.189 109.869 108.800 -0.200 0.000 2.253 267 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.251 267 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.251 267 G C 0.296 175.167 174.900 -0.048 0.000 0.998 267 G CA 0.444 45.483 45.100 -0.101 0.000 0.621 267 G HN 0.813 nan 8.290 nan 0.000 0.524 268 S N -1.993 113.673 115.700 -0.056 0.000 2.588 268 S HA 0.543 5.013 4.470 -0.000 0.000 0.269 268 S C 1.173 175.914 174.600 0.235 0.000 1.157 268 S CA 0.646 58.887 58.200 0.069 0.000 0.824 268 S CB 1.434 64.682 63.200 0.080 0.000 1.126 268 S HN 1.541 nan 8.310 nan 0.000 0.464 269 V N 0.536 120.592 119.914 0.236 0.000 3.041 269 V HA 0.315 4.435 4.120 -0.000 0.000 0.260 269 V C 1.044 177.322 176.094 0.306 0.000 1.105 269 V CA 0.711 63.159 62.300 0.246 0.000 1.125 269 V CB -1.051 30.767 31.823 -0.008 0.000 0.730 269 V HN 0.698 nan 8.190 nan 0.000 0.479 270 K N 0.875 121.461 120.400 0.311 0.000 2.414 270 K HA -0.002 4.318 4.320 -0.000 0.000 0.272 270 K C 0.583 177.449 176.600 0.443 0.000 0.993 270 K CA 0.894 57.348 56.287 0.279 0.000 0.964 270 K CB 0.108 32.728 32.500 0.201 0.000 0.925 270 K HN 0.459 nan 8.250 nan 0.000 0.487 271 D N 0.802 121.344 120.400 0.238 0.000 2.946 271 D HA -0.259 4.381 4.640 -0.000 0.000 0.202 271 D C -0.111 176.109 176.300 -0.134 0.000 1.068 271 D CA 0.831 54.944 54.000 0.187 0.000 1.011 271 D CB -1.563 39.471 40.800 0.390 0.000 1.105 271 D HN 0.453 nan 8.370 nan 0.000 0.425 272 F N 1.462 121.104 119.950 -0.515 0.000 2.635 272 F HA 0.172 4.699 4.527 -0.000 0.000 0.379 272 F C -1.609 173.776 175.800 -0.692 0.000 1.094 272 F CA -0.658 56.662 58.000 -1.133 0.000 1.300 272 F CB 0.437 38.991 39.000 -0.742 0.000 1.035 272 F HN -0.222 nan 8.300 nan 0.000 0.581 273 P HA 0.143 nan 4.420 nan 0.000 0.269 273 P C 0.557 177.491 177.300 -0.609 0.000 1.217 273 P CA 1.563 64.124 63.100 -0.900 0.000 0.783 273 P CB 0.556 31.701 31.700 -0.925 0.000 0.898 274 G N 0.450 109.050 108.800 -0.333 0.000 2.448 274 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 274 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 274 G C 0.604 175.440 174.900 -0.108 0.000 0.997 274 G CA 0.620 45.608 45.100 -0.187 0.000 0.635 274 G HN 0.878 nan 8.290 nan 0.000 0.556 275 A N -0.636 122.128 122.820 -0.093 0.000 2.272 275 A HA 0.748 5.068 4.320 -0.000 0.000 0.275 275 A C 0.458 178.045 177.584 0.006 0.000 1.096 275 A CA 0.938 52.975 52.037 -0.000 0.000 0.822 275 A CB 0.675 19.745 19.000 0.116 0.000 1.088 275 A HN 0.704 nan 8.150 nan 0.000 0.495 276 T N 1.773 116.363 114.554 0.059 0.000 2.797 276 T HA 0.382 4.732 4.350 -0.000 0.000 0.279 276 T C -0.386 174.374 174.700 0.100 0.000 0.991 276 T CA -0.401 61.754 62.100 0.092 0.000 0.979 276 T CB 0.667 69.642 68.868 0.178 0.000 0.943 276 T HN 0.594 nan 8.240 nan 0.000 0.444 277 N N 2.958 121.699 118.700 0.069 0.000 2.514 277 N HA 0.607 5.347 4.740 -0.000 0.000 0.277 277 N C -0.233 175.309 175.510 0.053 0.000 1.126 277 N CA -0.490 52.598 53.050 0.064 0.000 0.978 277 N CB 0.522 39.044 38.487 0.057 0.000 1.106 277 N HN 0.700 nan 8.380 nan 0.000 0.461 278 I N -2.766 117.832 120.570 0.048 0.000 3.195 278 I HA 0.619 4.789 4.170 -0.000 0.000 0.313 278 I C -0.293 175.837 176.117 0.023 0.000 1.237 278 I CA -0.943 60.370 61.300 0.022 0.000 0.963 278 I CB 1.908 39.910 38.000 0.003 0.000 1.278 278 I HN 0.426 nan 8.210 nan 0.000 0.460 279 T N -0.145 114.415 114.554 0.010 0.000 2.847 279 T HA 0.314 4.663 4.350 -0.000 0.000 0.279 279 T C 0.590 175.299 174.700 0.016 0.000 0.984 279 T CA -0.144 61.965 62.100 0.015 0.000 0.988 279 T CB 1.039 69.913 68.868 0.009 0.000 1.040 279 T HN 0.757 nan 8.240 nan 0.000 0.528 280 N N 0.274 118.987 118.700 0.021 0.000 2.058 280 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 280 N C 1.879 177.399 175.510 0.016 0.000 1.037 280 N CA 1.295 54.359 53.050 0.023 0.000 0.848 280 N CB -0.276 38.227 38.487 0.027 0.000 1.021 280 N HN 0.836 nan 8.380 nan 0.000 0.422 281 E N 1.455 121.662 120.200 0.012 0.000 2.086 281 E HA -0.268 4.082 4.350 -0.000 0.000 0.205 281 E C 1.460 178.059 176.600 -0.002 0.000 1.027 281 E CA 1.677 58.080 56.400 0.006 0.000 0.830 281 E CB -0.174 29.529 29.700 0.004 0.000 0.751 281 E HN 0.398 nan 8.360 nan 0.000 0.456 282 E N 0.219 120.413 120.200 -0.010 0.000 2.033 282 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 282 E C 2.387 178.970 176.600 -0.028 0.000 1.011 282 E CA 1.418 57.800 56.400 -0.029 0.000 0.815 282 E CB -0.548 29.125 29.700 -0.045 0.000 0.755 282 E HN 0.362 nan 8.360 nan 0.000 0.451 283 L N 1.291 122.508 121.223 -0.010 0.000 2.010 283 L HA -0.278 4.062 4.340 -0.000 0.000 0.219 283 L C 2.463 179.339 176.870 0.011 0.000 1.077 283 L CA 1.502 56.348 54.840 0.010 0.000 0.773 283 L CB -0.314 41.762 42.059 0.029 0.000 0.892 283 L HN 0.175 nan 8.230 nan 0.000 0.436 284 L N -0.441 120.789 121.223 0.012 0.000 2.051 284 L HA -0.275 4.065 4.340 -0.000 0.000 0.214 284 L C 2.114 178.989 176.870 0.007 0.000 1.076 284 L CA 1.883 56.731 54.840 0.014 0.000 0.758 284 L CB -0.629 41.439 42.059 0.014 0.000 0.890 284 L HN 0.458 nan 8.230 nan 0.000 0.433 285 E N -0.419 119.779 120.200 -0.004 0.000 2.465 285 E HA 0.140 4.490 4.350 -0.000 0.000 0.191 285 E C 0.576 177.165 176.600 -0.019 0.000 1.053 285 E CA -0.376 56.019 56.400 -0.009 0.000 0.869 285 E CB 0.265 29.958 29.700 -0.012 0.000 0.977 285 E HN 0.384 nan 8.360 nan 0.000 0.483 286 L N 1.485 122.696 121.223 -0.020 0.000 2.473 286 L HA -0.035 4.305 4.340 -0.000 0.000 0.280 286 L C 0.869 177.737 176.870 -0.004 0.000 1.266 286 L CA 0.833 55.657 54.840 -0.026 0.000 0.824 286 L CB 0.284 42.346 42.059 0.005 0.000 1.091 286 L HN 0.162 nan 8.230 nan 0.000 0.534 287 E N 1.290 121.492 120.200 0.003 0.000 2.373 287 E HA 0.266 4.616 4.350 -0.000 0.000 0.233 287 E C -1.087 175.533 176.600 0.034 0.000 1.035 287 E CA -0.306 56.103 56.400 0.015 0.000 0.930 287 E CB 0.637 30.343 29.700 0.010 0.000 1.278 287 E HN 0.367 nan 8.360 nan 0.000 0.452 288 V N -0.800 119.135 119.914 0.035 0.000 2.994 288 V HA 0.363 4.483 4.120 -0.000 0.000 0.318 288 V C 0.884 176.995 176.094 0.029 0.000 1.085 288 V CA -0.801 61.524 62.300 0.041 0.000 0.998 288 V CB 1.815 33.666 31.823 0.046 0.000 1.063 288 V HN 0.160 nan 8.190 nan 0.000 0.447 289 D N 0.717 121.132 120.400 0.026 0.000 2.091 289 D HA 0.021 4.661 4.640 -0.000 0.000 0.199 289 D C 0.616 176.921 176.300 0.009 0.000 0.980 289 D CA 1.532 55.543 54.000 0.018 0.000 0.831 289 D CB 0.149 40.958 40.800 0.015 0.000 0.987 289 D HN 0.447 nan 8.370 nan 0.000 0.460 290 V N 1.420 121.337 119.914 0.005 0.000 2.495 290 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 290 V C -0.475 175.622 176.094 0.005 0.000 1.031 290 V CA -0.964 61.332 62.300 -0.006 0.000 0.871 290 V CB 2.311 34.119 31.823 -0.025 0.000 0.988 290 V HN -0.042 nan 8.190 nan 0.000 0.432 291 L N 4.666 125.892 121.223 0.005 0.000 2.318 291 L HA 0.835 5.175 4.340 -0.000 0.000 0.277 291 L C 0.297 177.174 176.870 0.011 0.000 1.008 291 L CA -0.255 54.593 54.840 0.014 0.000 0.846 291 L CB 1.086 43.156 42.059 0.018 0.000 1.220 291 L HN 0.752 nan 8.230 nan 0.000 0.423 292 A N 7.399 130.228 122.820 0.015 0.000 2.736 292 A HA 0.667 4.987 4.320 -0.000 0.000 0.335 292 A C -2.508 175.094 177.584 0.029 0.000 1.446 292 A CA -1.302 50.743 52.037 0.015 0.000 1.028 292 A CB -0.436 18.570 19.000 0.009 0.000 1.154 292 A HN 0.536 nan 8.150 nan 0.000 0.507 293 P HA 0.186 nan 4.420 nan 0.000 0.280 293 P C -0.276 177.046 177.300 0.036 0.000 1.386 293 P CA 0.152 63.273 63.100 0.035 0.000 0.899 293 P CB 0.684 32.403 31.700 0.033 0.000 1.098 294 S N 1.899 117.625 115.700 0.043 0.000 2.327 294 S HA 0.620 5.090 4.470 -0.000 0.000 0.203 294 S C 0.552 175.179 174.600 0.045 0.000 1.326 294 S CA -0.357 57.868 58.200 0.041 0.000 1.248 294 S CB 0.798 64.021 63.200 0.038 0.000 1.199 294 S HN 0.434 nan 8.310 nan 0.000 0.422 295 A N 1.732 124.577 122.820 0.041 0.000 1.808 295 A HA 0.766 5.086 4.320 -0.000 0.000 0.190 295 A C 0.009 177.610 177.584 0.028 0.000 1.822 295 A CA -0.055 52.006 52.037 0.041 0.000 1.090 295 A CB 0.085 19.115 19.000 0.050 0.000 1.004 295 A HN 0.657 nan 8.150 nan 0.000 0.602 296 I N -1.049 119.537 120.570 0.025 0.000 3.074 296 I HA 0.546 4.716 4.170 -0.000 0.000 0.310 296 I C -0.617 175.506 176.117 0.011 0.000 1.153 296 I CA -1.143 60.166 61.300 0.014 0.000 0.993 296 I CB 1.894 39.902 38.000 0.014 0.000 1.237 296 I HN 0.464 nan 8.210 nan 0.000 0.443 297 E N 0.963 121.162 120.200 -0.001 0.000 2.345 297 E HA 0.282 4.632 4.350 -0.000 0.000 0.259 297 E C -0.919 175.683 176.600 0.004 0.000 1.117 297 E CA -0.624 55.775 56.400 -0.001 0.000 0.913 297 E CB 0.523 30.210 29.700 -0.021 0.000 1.057 297 E HN 0.650 nan 8.360 nan 0.000 0.432 298 E N -0.537 119.669 120.200 0.009 0.000 2.393 298 E HA -0.186 4.164 4.350 -0.000 0.000 0.169 298 E C 0.262 176.870 176.600 0.013 0.000 1.591 298 E CA 0.521 56.927 56.400 0.010 0.000 0.661 298 E CB -1.206 28.495 29.700 0.003 0.000 1.097 298 E HN 0.559 nan 8.360 nan 0.000 0.356 299 V N -2.691 117.234 119.914 0.018 0.000 3.431 299 V HA 0.254 4.373 4.120 -0.000 0.000 0.255 299 V C 0.815 176.921 176.094 0.020 0.000 1.403 299 V CA 0.036 62.347 62.300 0.019 0.000 1.101 299 V CB 0.535 32.371 31.823 0.022 0.000 0.891 299 V HN 0.301 nan 8.190 nan 0.000 0.446 300 I N 3.922 124.506 120.570 0.023 0.000 2.337 300 I HA 0.506 4.676 4.170 -0.000 0.000 0.285 300 I C 0.315 176.446 176.117 0.024 0.000 1.041 300 I CA 0.313 61.628 61.300 0.024 0.000 1.199 300 I CB 1.064 39.082 38.000 0.029 0.000 1.370 300 I HN 0.462 nan 8.210 nan 0.000 0.470 301 T N 1.360 115.926 114.554 0.020 0.000 2.883 301 T HA 0.362 4.712 4.350 -0.000 0.000 0.284 301 T C 1.091 175.802 174.700 0.018 0.000 1.041 301 T CA -0.828 61.283 62.100 0.019 0.000 1.007 301 T CB 1.906 70.782 68.868 0.014 0.000 1.220 301 T HN 0.634 nan 8.240 nan 0.000 0.552 302 K N 0.648 121.059 120.400 0.017 0.000 2.113 302 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 302 K C 1.860 178.468 176.600 0.014 0.000 1.047 302 K CA 1.389 57.685 56.287 0.016 0.000 0.928 302 K CB -0.330 32.179 32.500 0.014 0.000 0.716 302 K HN 0.524 nan 8.250 nan 0.000 0.446 303 K N 0.621 121.028 120.400 0.012 0.000 2.211 303 K HA -0.063 4.257 4.320 -0.000 0.000 0.203 303 K C 0.992 177.598 176.600 0.009 0.000 1.050 303 K CA 1.375 57.668 56.287 0.010 0.000 0.945 303 K CB -0.107 32.398 32.500 0.008 0.000 0.732 303 K HN 0.508 nan 8.250 nan 0.000 0.451 304 N N -1.024 117.683 118.700 0.012 0.000 2.160 304 N HA 0.101 4.841 4.740 -0.000 0.000 0.226 304 N C 0.960 176.478 175.510 0.014 0.000 1.256 304 N CA 0.228 53.285 53.050 0.011 0.000 0.890 304 N CB 0.375 38.868 38.487 0.010 0.000 1.116 304 N HN -0.042 nan 8.380 nan 0.000 0.517 305 A N 0.749 123.579 122.820 0.017 0.000 2.070 305 A HA -0.103 4.216 4.320 -0.000 0.000 0.220 305 A C 1.723 179.318 177.584 0.019 0.000 1.159 305 A CA 1.221 53.271 52.037 0.022 0.000 0.656 305 A CB -0.345 18.671 19.000 0.027 0.000 0.800 305 A HN 0.222 nan 8.150 nan 0.000 0.453 306 D N -0.201 120.207 120.400 0.014 0.000 2.277 306 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 306 D C 0.708 177.013 176.300 0.009 0.000 0.962 306 D CA 0.647 54.654 54.000 0.011 0.000 0.865 306 D CB -0.028 40.777 40.800 0.008 0.000 0.939 306 D HN 0.406 nan 8.370 nan 0.000 0.510 307 N N 0.483 119.188 118.700 0.008 0.000 2.336 307 N HA 0.006 4.746 4.740 -0.000 0.000 0.189 307 N C 0.549 176.063 175.510 0.006 0.000 1.113 307 N CA -0.001 53.052 53.050 0.004 0.000 0.858 307 N CB 0.885 39.372 38.487 0.001 0.000 0.970 307 N HN 0.168 nan 8.380 nan 0.000 0.471 308 I N 1.674 122.250 120.570 0.011 0.000 2.533 308 I HA 0.001 4.171 4.170 -0.000 0.000 0.284 308 I C 1.114 177.239 176.117 0.014 0.000 1.109 308 I CA 0.439 61.747 61.300 0.014 0.000 1.412 308 I CB 0.377 38.389 38.000 0.020 0.000 1.396 308 I HN -0.072 nan 8.210 nan 0.000 0.543 309 K N 4.546 124.954 120.400 0.013 0.000 2.506 309 K HA 0.375 4.695 4.320 -0.000 0.000 0.204 309 K C 0.251 176.862 176.600 0.018 0.000 1.045 309 K CA -0.209 56.086 56.287 0.014 0.000 1.074 309 K CB 1.125 33.631 32.500 0.009 0.000 0.842 309 K HN 0.633 nan 8.250 nan 0.000 0.514 310 A N 1.180 124.012 122.820 0.020 0.000 2.302 310 A HA 0.260 4.580 4.320 -0.000 0.000 0.285 310 A C 0.862 178.460 177.584 0.023 0.000 1.105 310 A CA -0.264 51.785 52.037 0.020 0.000 0.816 310 A CB 0.793 19.804 19.000 0.018 0.000 1.067 310 A HN -0.025 nan 8.150 nan 0.000 0.489 311 K N 0.344 120.757 120.400 0.022 0.000 2.062 311 K HA 0.136 4.456 4.320 -0.000 0.000 0.205 311 K C -0.029 176.588 176.600 0.028 0.000 1.051 311 K CA 1.430 57.733 56.287 0.027 0.000 0.941 311 K CB -0.168 32.347 32.500 0.025 0.000 0.719 311 K HN 0.698 nan 8.250 nan 0.000 0.440 312 I N 0.322 120.901 120.570 0.014 0.000 2.498 312 I HA 0.213 4.383 4.170 -0.000 0.000 0.290 312 I C -1.083 175.034 176.117 0.001 0.000 1.032 312 I CA -1.106 60.198 61.300 0.006 0.000 1.073 312 I CB 2.505 40.493 38.000 -0.020 0.000 1.251 312 I HN -0.393 nan 8.210 nan 0.000 0.426 313 V N 5.300 125.217 119.914 0.005 0.000 2.294 313 V HA 0.434 4.554 4.120 -0.000 0.000 0.272 313 V C 0.522 176.615 176.094 -0.003 0.000 1.027 313 V CA -0.586 61.718 62.300 0.006 0.000 0.823 313 V CB 1.188 33.022 31.823 0.018 0.000 1.030 313 V HN 0.832 nan 8.190 nan 0.000 0.457 314 A N 4.499 127.310 122.820 -0.014 0.000 2.527 314 A HA 0.359 4.679 4.320 -0.000 0.000 0.313 314 A C 0.593 178.174 177.584 -0.005 0.000 1.410 314 A CA -0.413 51.608 52.037 -0.026 0.000 1.060 314 A CB -0.297 18.672 19.000 -0.051 0.000 1.137 314 A HN 0.839 nan 8.150 nan 0.000 0.542 315 E N 3.547 123.753 120.200 0.009 0.000 1.795 315 E HA 0.020 4.370 4.350 -0.000 0.000 0.261 315 E C 0.361 176.980 176.600 0.031 0.000 1.238 315 E CA -0.416 56.003 56.400 0.031 0.000 1.001 315 E CB 0.281 30.017 29.700 0.059 0.000 1.065 315 E HN 0.584 nan 8.360 nan 0.000 0.418 316 L N 1.191 122.427 121.223 0.022 0.000 2.109 316 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 316 L C 1.256 178.147 176.870 0.035 0.000 1.086 316 L CA 1.093 55.945 54.840 0.020 0.000 0.760 316 L CB -0.889 41.179 42.059 0.015 0.000 0.910 316 L HN 0.372 nan 8.230 nan 0.000 0.437 317 A N -0.035 122.808 122.820 0.039 0.000 2.272 317 A HA 0.279 4.599 4.320 -0.000 0.000 0.275 317 A C 0.179 177.794 177.584 0.052 0.000 1.096 317 A CA -0.419 51.640 52.037 0.038 0.000 0.822 317 A CB 0.131 19.150 19.000 0.032 0.000 1.088 317 A HN 0.251 nan 8.150 nan 0.000 0.495 318 N N 0.235 118.956 118.700 0.036 0.000 2.414 318 N HA 0.440 5.180 4.740 -0.000 0.000 0.256 318 N C 0.529 176.051 175.510 0.021 0.000 1.029 318 N CA 1.167 54.241 53.050 0.040 0.000 0.948 318 N CB 0.967 39.448 38.487 -0.011 0.000 1.102 318 N HN 1.260 nan 8.380 nan 0.000 0.496 319 G N 3.834 112.671 108.800 0.063 0.000 2.333 319 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.296 319 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.296 319 G C -1.627 173.294 174.900 0.035 0.000 1.059 319 G CA -0.308 44.821 45.100 0.049 0.000 1.050 319 G HN 0.485 nan 8.290 nan 0.000 0.508 320 P HA 0.059 nan 4.420 nan 0.000 0.222 320 P C 0.960 178.284 177.300 0.039 0.000 1.157 320 P CA 0.944 64.066 63.100 0.037 0.000 0.816 320 P CB 0.477 32.202 31.700 0.041 0.000 0.813 321 T N 0.305 114.891 114.554 0.053 0.000 2.944 321 T HA 0.452 4.802 4.350 -0.000 0.000 0.284 321 T C 0.324 175.057 174.700 0.055 0.000 1.010 321 T CA -0.194 61.937 62.100 0.052 0.000 1.025 321 T CB 1.443 70.345 68.868 0.058 0.000 1.079 321 T HN 0.111 nan 8.240 nan 0.000 0.516 322 T N -1.015 113.567 114.554 0.046 0.000 2.927 322 T HA 0.504 4.854 4.350 -0.000 0.000 0.286 322 T C -2.218 172.508 174.700 0.044 0.000 1.040 322 T CA -2.141 59.985 62.100 0.043 0.000 1.010 322 T CB 1.470 70.356 68.868 0.029 0.000 1.177 322 T HN 0.136 nan 8.240 nan 0.000 0.546 323 P HA -0.019 nan 4.420 nan 0.000 0.214 323 P C 1.502 178.821 177.300 0.032 0.000 1.162 323 P CA 1.053 64.172 63.100 0.032 0.000 0.874 323 P CB 0.067 31.782 31.700 0.023 0.000 0.784 324 E N 0.029 120.246 120.200 0.029 0.000 2.058 324 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 324 E C 2.070 178.691 176.600 0.035 0.000 0.997 324 E CA 1.603 58.020 56.400 0.029 0.000 0.801 324 E CB -0.859 28.855 29.700 0.022 0.000 0.746 324 E HN 0.166 nan 8.360 nan 0.000 0.450 325 A N 1.903 124.744 122.820 0.034 0.000 2.019 325 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 325 A C 1.761 179.374 177.584 0.048 0.000 1.164 325 A CA 1.478 53.538 52.037 0.038 0.000 0.644 325 A CB -0.290 18.731 19.000 0.035 0.000 0.805 325 A HN 0.098 nan 8.150 nan 0.000 0.449 326 D N 0.134 120.562 120.400 0.047 0.000 2.103 326 D HA -0.179 4.461 4.640 -0.000 0.000 0.190 326 D C 1.932 178.283 176.300 0.084 0.000 0.997 326 D CA 1.796 55.826 54.000 0.050 0.000 0.833 326 D CB -0.405 40.412 40.800 0.028 0.000 0.961 326 D HN 0.678 nan 8.370 nan 0.000 0.447 327 E N 0.647 120.899 120.200 0.086 0.000 2.023 327 E HA -0.158 4.191 4.350 -0.000 0.000 0.196 327 E C 2.505 179.179 176.600 0.123 0.000 1.003 327 E CA 0.679 57.156 56.400 0.128 0.000 0.809 327 E CB -0.219 29.536 29.700 0.091 0.000 0.755 327 E HN 0.298 nan 8.360 nan 0.000 0.449 328 I N 0.964 121.579 120.570 0.075 0.000 2.113 328 I HA -0.343 3.827 4.170 -0.000 0.000 0.242 328 I C 2.465 178.618 176.117 0.060 0.000 1.057 328 I CA 1.387 62.718 61.300 0.052 0.000 1.314 328 I CB -0.447 37.576 38.000 0.039 0.000 1.022 328 I HN 0.118 nan 8.210 nan 0.000 0.408 329 L N -1.020 120.250 121.223 0.079 0.000 2.217 329 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 329 L C 2.522 179.477 176.870 0.141 0.000 1.107 329 L CA 0.958 55.849 54.840 0.084 0.000 0.783 329 L CB -0.697 41.406 42.059 0.072 0.000 0.919 329 L HN 0.228 nan 8.230 nan 0.000 0.442 330 Y N 1.679 121.982 120.300 0.005 0.000 2.092 330 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 330 Y C 2.528 178.434 175.900 0.010 0.000 1.126 330 Y CA 1.836 59.939 58.100 0.005 0.000 1.111 330 Y CB -0.579 37.881 38.460 -0.000 0.000 0.987 330 Y HN 0.407 nan 8.280 nan 0.000 0.489 331 E N -0.134 120.002 120.200 -0.106 0.000 2.409 331 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 331 E C 1.944 178.471 176.600 -0.123 0.000 1.024 331 E CA 1.177 57.440 56.400 -0.227 0.000 0.861 331 E CB -0.322 29.301 29.700 -0.129 0.000 0.788 331 E HN 0.396 nan 8.360 nan 0.000 0.521 332 K N 0.072 120.445 120.400 -0.045 0.000 2.365 332 K HA 0.020 4.340 4.320 -0.000 0.000 0.197 332 K C 0.899 177.491 176.600 -0.014 0.000 1.042 332 K CA 0.704 56.980 56.287 -0.019 0.000 0.987 332 K CB 0.110 32.617 32.500 0.010 0.000 0.779 332 K HN 0.343 nan 8.250 nan 0.000 0.484 333 G N 1.064 109.856 108.800 -0.014 0.000 2.134 333 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.209 333 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.209 333 G C -0.044 174.893 174.900 0.061 0.000 0.993 333 G CA -0.181 44.927 45.100 0.014 0.000 0.669 333 G HN 0.181 nan 8.290 nan 0.000 0.519 334 I N 0.746 121.361 120.570 0.075 0.000 2.428 334 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 334 I C 0.443 176.609 176.117 0.082 0.000 1.019 334 I CA -1.012 60.330 61.300 0.070 0.000 1.351 334 I CB 1.302 39.336 38.000 0.055 0.000 1.412 334 I HN 0.055 nan 8.210 nan 0.000 0.513 335 L N 8.427 129.688 121.223 0.063 0.000 2.278 335 L HA 0.444 4.784 4.340 -0.000 0.000 0.287 335 L C -0.353 176.530 176.870 0.021 0.000 1.072 335 L CA 0.187 55.053 54.840 0.044 0.000 0.819 335 L CB 0.125 42.230 42.059 0.077 0.000 1.176 335 L HN 0.362 nan 8.230 nan 0.000 0.435 336 I N 6.116 126.682 120.570 -0.007 0.000 2.412 336 I HA 0.348 4.518 4.170 -0.000 0.000 0.296 336 I C -0.331 175.773 176.117 -0.021 0.000 0.987 336 I CA -0.628 60.667 61.300 -0.008 0.000 1.180 336 I CB 1.725 39.718 38.000 -0.013 0.000 1.340 336 I HN 0.466 nan 8.210 nan 0.000 0.455 337 I N 7.585 128.151 120.570 -0.008 0.000 2.330 337 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 337 I C -2.337 173.767 176.117 -0.022 0.000 1.025 337 I CA -2.091 59.204 61.300 -0.008 0.000 1.197 337 I CB 0.987 38.978 38.000 -0.014 0.000 1.358 337 I HN 0.165 nan 8.210 nan 0.000 0.467 338 P HA -0.064 nan 4.420 nan 0.000 0.263 338 P C 0.015 177.312 177.300 -0.005 0.000 1.175 338 P CA 0.150 63.230 63.100 -0.033 0.000 0.761 338 P CB 0.520 32.102 31.700 -0.198 0.000 0.794 339 D N 4.010 124.495 120.400 0.141 0.000 2.103 339 D HA -0.276 4.364 4.640 -0.000 0.000 0.190 339 D C 1.410 177.817 176.300 0.178 0.000 0.997 339 D CA 1.641 55.740 54.000 0.165 0.000 0.833 339 D CB -1.642 39.299 40.800 0.236 0.000 0.961 339 D HN 0.513 nan 8.370 nan 0.000 0.447 340 F N -0.010 120.000 119.950 0.101 0.000 2.605 340 F HA 0.079 4.606 4.527 0.000 0.000 0.296 340 F C 1.619 177.425 175.800 0.010 0.000 1.146 340 F CA 0.382 58.419 58.000 0.062 0.000 1.478 340 F CB -0.357 38.669 39.000 0.045 0.000 1.107 340 F HN 0.141 nan 8.300 nan 0.000 0.600 341 L N -0.814 120.264 121.223 -0.242 0.000 2.519 341 L HA 0.202 4.542 4.340 -0.000 0.000 0.194 341 L C 2.223 179.054 176.870 -0.067 0.000 1.072 341 L CA 1.074 55.795 54.840 -0.199 0.000 0.845 341 L CB -0.972 40.925 42.059 -0.270 0.000 1.138 341 L HN 0.150 nan 8.230 nan 0.000 0.487 342 C N 2.354 121.620 119.300 -0.055 0.000 2.385 342 C HA -0.149 4.311 4.460 -0.000 0.000 0.275 342 C C 2.206 177.190 174.990 -0.009 0.000 1.207 342 C CA 1.604 60.604 59.018 -0.030 0.000 1.760 342 C CB -1.316 26.413 27.740 -0.019 0.000 2.051 342 C HN 0.884 nan 8.230 nan 0.000 0.467 343 N N 0.605 119.320 118.700 0.025 0.000 2.295 343 N HA 0.223 4.963 4.740 -0.000 0.000 0.221 343 N C 0.602 176.135 175.510 0.039 0.000 1.129 343 N CA 0.785 53.855 53.050 0.033 0.000 0.836 343 N CB -0.394 38.123 38.487 0.050 0.000 1.040 343 N HN 0.482 nan 8.380 nan 0.000 0.494 344 A N -0.392 122.447 122.820 0.032 0.000 2.238 344 A HA 0.326 4.646 4.320 -0.000 0.000 0.208 344 A C 2.012 179.604 177.584 0.012 0.000 1.177 344 A CA 0.431 52.487 52.037 0.032 0.000 0.804 344 A CB -0.829 18.188 19.000 0.029 0.000 0.823 344 A HN 0.389 nan 8.150 nan 0.000 0.482 345 G N 0.053 108.859 108.800 0.010 0.000 2.462 345 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.220 345 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.220 345 G C 1.376 176.269 174.900 -0.012 0.000 1.121 345 G CA 1.173 46.277 45.100 0.006 0.000 0.758 345 G HN 0.592 nan 8.290 nan 0.000 0.559 346 G N -0.085 108.710 108.800 -0.008 0.000 2.395 346 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.214 346 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.214 346 G C 1.685 176.574 174.900 -0.018 0.000 1.177 346 G CA 0.936 46.028 45.100 -0.013 0.000 0.794 346 G HN 0.334 nan 8.290 nan 0.000 0.532 347 V N 0.937 120.845 119.914 -0.009 0.000 2.759 347 V HA -0.082 4.038 4.120 -0.000 0.000 0.256 347 V C 2.870 178.968 176.094 0.007 0.000 1.080 347 V CA 2.597 64.896 62.300 -0.002 0.000 1.101 347 V CB -0.467 31.362 31.823 0.011 0.000 0.698 347 V HN 0.384 nan 8.190 nan 0.000 0.477 348 T N -0.263 114.257 114.554 -0.057 0.000 2.668 348 T HA -0.127 4.223 4.350 -0.000 0.000 0.258 348 T C 1.834 176.288 174.700 -0.410 0.000 1.051 348 T CA 1.747 63.733 62.100 -0.190 0.000 1.155 348 T CB -0.326 68.414 68.868 -0.214 0.000 0.864 348 T HN 0.303 nan 8.240 nan 0.000 0.413 349 V N 2.646 122.363 119.914 -0.328 0.000 2.546 349 V HA -0.208 3.912 4.120 -0.000 0.000 0.254 349 V C 2.780 178.870 176.094 -0.007 0.000 1.076 349 V CA 2.037 64.246 62.300 -0.150 0.000 1.087 349 V CB -1.062 30.790 31.823 0.048 0.000 0.674 349 V HN 0.670 nan 8.190 nan 0.000 0.470 350 S N -0.254 115.445 115.700 -0.001 0.000 2.368 350 S HA -0.272 4.198 4.470 -0.000 0.000 0.224 350 S C 1.990 176.688 174.600 0.164 0.000 1.029 350 S CA 1.558 59.791 58.200 0.054 0.000 0.988 350 S CB -0.800 62.410 63.200 0.016 0.000 0.838 350 S HN 0.660 nan 8.310 nan 0.000 0.462 351 Y N 2.143 122.511 120.300 0.114 0.000 2.207 351 Y HA -0.056 4.494 4.550 -0.000 0.000 0.287 351 Y C 1.750 177.898 175.900 0.413 0.000 1.156 351 Y CA 0.971 59.270 58.100 0.331 0.000 1.182 351 Y CB -0.739 37.872 38.460 0.251 0.000 0.979 351 Y HN 0.189 nan 8.280 nan 0.000 0.521 352 F N 1.169 121.053 119.950 -0.110 0.000 2.269 352 F HA -0.114 4.413 4.527 -0.000 0.000 0.301 352 F C 2.519 178.054 175.800 -0.442 0.000 1.082 352 F CA 1.326 59.121 58.000 -0.342 0.000 1.360 352 F CB -1.001 37.894 39.000 -0.175 0.000 1.041 352 F HN 0.313 nan 8.300 nan 0.000 0.512 353 E N -0.925 119.275 120.200 0.000 0.000 2.051 353 E HA -0.234 4.116 4.350 -0.000 0.000 0.189 353 E C 2.229 178.806 176.600 -0.038 0.000 0.979 353 E CA 0.995 57.355 56.400 -0.066 0.000 0.803 353 E CB -0.424 29.288 29.700 0.019 0.000 0.761 353 E HN 0.411 nan 8.360 nan 0.000 0.451 354 W N 0.997 122.235 121.300 -0.104 0.000 2.335 354 W HA -0.252 4.408 4.660 -0.000 0.000 0.311 354 W C 1.907 178.358 176.519 -0.114 0.000 1.213 354 W CA 1.638 58.954 57.345 -0.049 0.000 1.274 354 W CB -0.564 28.963 29.460 0.112 0.000 1.148 354 W HN -0.105 nan 8.180 nan 0.000 0.498 355 V N 1.421 121.224 119.914 -0.186 0.000 2.282 355 V HA -0.397 3.723 4.120 -0.000 0.000 0.249 355 V C 2.430 178.278 176.094 -0.411 0.000 1.057 355 V CA 2.601 64.667 62.300 -0.391 0.000 1.032 355 V CB -1.077 30.618 31.823 -0.214 0.000 0.645 355 V HN 0.354 nan 8.190 nan 0.000 0.447 356 Q N -0.516 118.950 119.800 -0.556 0.000 2.170 356 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 356 Q C 2.096 177.577 176.000 -0.865 0.000 0.976 356 Q CA 1.501 56.798 55.803 -0.844 0.000 0.858 356 Q CB -0.306 27.697 28.738 -1.226 0.000 0.907 356 Q HN 0.613 nan 8.270 nan 0.000 0.433 357 N N 1.128 119.529 118.700 -0.499 0.000 2.171 357 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 357 N C 1.930 177.327 175.510 -0.187 0.000 1.021 357 N CA 1.177 54.118 53.050 -0.182 0.000 0.854 357 N CB -0.147 38.349 38.487 0.015 0.000 0.994 357 N HN 0.434 nan 8.380 nan 0.000 0.426 358 I N -1.575 118.797 120.570 -0.330 0.000 2.761 358 I HA 0.008 4.178 4.170 -0.000 0.000 0.261 358 I C 1.795 177.797 176.117 -0.192 0.000 1.198 358 I CA 1.228 62.352 61.300 -0.294 0.000 1.482 358 I CB -0.556 37.156 38.000 -0.481 0.000 1.100 358 I HN -0.004 nan 8.210 nan 0.000 0.445 359 T N -2.391 112.033 114.554 -0.216 0.000 3.057 359 T HA 0.355 4.705 4.350 -0.000 0.000 0.254 359 T C 1.752 176.410 174.700 -0.070 0.000 1.094 359 T CA 0.489 62.516 62.100 -0.121 0.000 1.088 359 T CB -0.012 68.799 68.868 -0.094 0.000 0.934 359 T HN 0.695 nan 8.240 nan 0.000 0.497 360 G N 1.205 109.946 108.800 -0.098 0.000 2.168 360 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 360 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 360 G C -0.254 174.755 174.900 0.182 0.000 0.977 360 G CA 0.255 45.407 45.100 0.087 0.000 0.659 360 G HN 0.759 nan 8.290 nan 0.000 0.533 361 D N -0.323 120.074 120.400 -0.005 0.000 2.192 361 D HA 0.628 5.268 4.640 -0.000 0.000 0.246 361 D C -0.582 175.740 176.300 0.036 0.000 1.042 361 D CA -0.482 53.604 54.000 0.144 0.000 0.847 361 D CB 0.540 41.428 40.800 0.148 0.000 1.186 361 D HN 0.122 nan 8.370 nan 0.000 0.461 362 Y N 1.993 122.354 120.300 0.101 0.000 2.409 362 Y HA 0.443 4.993 4.550 -0.000 0.000 0.343 362 Y C -0.218 175.803 175.900 0.203 0.000 0.973 362 Y CA -0.977 57.133 58.100 0.017 0.000 1.064 362 Y CB 1.052 39.497 38.460 -0.026 0.000 1.207 362 Y HN 0.279 nan 8.280 nan 0.000 0.452 363 W N 0.906 122.258 121.300 0.086 0.000 2.367 363 W HA 0.555 5.215 4.660 0.000 0.000 0.369 363 W C 0.341 176.880 176.519 0.034 0.000 1.276 363 W CA -1.445 55.911 57.345 0.019 0.000 1.415 363 W CB -0.068 29.354 29.460 -0.063 0.000 1.306 363 W HN 0.500 nan 8.180 nan 0.000 0.669 364 T N -1.812 112.910 114.554 0.280 0.000 2.816 364 T HA 0.275 4.625 4.350 -0.000 0.000 0.282 364 T C 1.086 175.881 174.700 0.159 0.000 0.993 364 T CA -0.020 62.176 62.100 0.161 0.000 0.994 364 T CB 0.941 69.869 68.868 0.100 0.000 1.025 364 T HN 0.361 nan 8.240 nan 0.000 0.529 365 V N -0.238 119.741 119.914 0.108 0.000 2.358 365 V HA -0.069 4.051 4.120 -0.000 0.000 0.246 365 V C 2.347 178.501 176.094 0.102 0.000 1.047 365 V CA 1.695 64.055 62.300 0.100 0.000 1.035 365 V CB -1.528 30.337 31.823 0.069 0.000 0.658 365 V HN 0.893 nan 8.190 nan 0.000 0.452 366 E N 0.946 121.192 120.200 0.077 0.000 2.110 366 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 366 E C 2.107 178.736 176.600 0.048 0.000 0.988 366 E CA 1.664 58.099 56.400 0.059 0.000 0.804 366 E CB -0.373 29.349 29.700 0.036 0.000 0.745 366 E HN 0.771 nan 8.360 nan 0.000 0.458 367 E N 0.340 120.569 120.200 0.049 0.000 2.006 367 E HA -0.141 4.209 4.350 -0.000 0.000 0.192 367 E C 2.157 178.771 176.600 0.023 0.000 0.993 367 E CA 1.701 58.089 56.400 -0.021 0.000 0.808 367 E CB -0.203 29.460 29.700 -0.060 0.000 0.764 367 E HN 0.204 nan 8.360 nan 0.000 0.449 368 T N 1.039 115.711 114.554 0.197 0.000 2.685 368 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 368 T C 1.879 176.707 174.700 0.212 0.000 1.034 368 T CA 1.641 63.880 62.100 0.231 0.000 1.149 368 T CB -0.264 68.763 68.868 0.264 0.000 0.860 368 T HN 0.080 nan 8.240 nan 0.000 0.449 369 R N 0.609 121.225 120.500 0.193 0.000 2.092 369 R HA 0.073 4.413 4.340 -0.000 0.000 0.231 369 R C 2.803 179.205 176.300 0.170 0.000 1.119 369 R CA 1.129 57.367 56.100 0.229 0.000 0.970 369 R CB -0.534 29.879 30.300 0.189 0.000 0.864 369 R HN 0.431 nan 8.270 nan 0.000 0.440 370 A N 1.873 124.737 122.820 0.074 0.000 1.859 370 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 370 A C 1.766 179.352 177.584 0.004 0.000 1.198 370 A CA 1.864 53.900 52.037 -0.001 0.000 0.629 370 A CB -0.384 18.587 19.000 -0.048 0.000 0.830 370 A HN 0.230 nan 8.150 nan 0.000 0.446 371 K N -0.417 119.985 120.400 0.003 0.000 2.148 371 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 371 K C 1.856 178.696 176.600 0.400 0.000 1.050 371 K CA 1.334 57.664 56.287 0.072 0.000 0.942 371 K CB -0.661 31.692 32.500 -0.245 0.000 0.724 371 K HN 0.449 nan 8.250 nan 0.000 0.446 372 L N 2.482 124.009 121.223 0.508 0.000 2.093 372 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 372 L C 2.104 179.116 176.870 0.237 0.000 1.085 372 L CA 1.974 57.140 54.840 0.543 0.000 0.755 372 L CB -0.576 41.825 42.059 0.570 0.000 0.904 372 L HN 0.128 nan 8.230 nan 0.000 0.435 373 D N -0.239 120.112 120.400 -0.083 0.000 2.084 373 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 373 D C 2.121 178.286 176.300 -0.226 0.000 0.985 373 D CA 1.578 55.168 54.000 -0.683 0.000 0.826 373 D CB -0.056 40.138 40.800 -1.011 0.000 0.978 373 D HN 0.326 nan 8.370 nan 0.000 0.456 374 K N -0.134 120.216 120.400 -0.082 0.000 2.059 374 K HA -0.173 4.147 4.320 -0.000 0.000 0.212 374 K C 2.246 178.892 176.600 0.077 0.000 1.050 374 K CA 1.388 57.681 56.287 0.011 0.000 0.927 374 K CB 0.077 32.600 32.500 0.039 0.000 0.714 374 K HN 0.024 nan 8.250 nan 0.000 0.447 375 K N -0.236 120.245 120.400 0.135 0.000 2.148 375 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 375 K C 2.037 178.711 176.600 0.123 0.000 1.050 375 K CA 0.954 57.333 56.287 0.153 0.000 0.942 375 K CB 0.011 32.636 32.500 0.208 0.000 0.724 375 K HN 0.188 nan 8.250 nan 0.000 0.446 376 M N 0.150 119.826 119.600 0.126 0.000 2.193 376 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 376 M C 2.108 178.488 176.300 0.133 0.000 1.071 376 M CA 1.371 56.752 55.300 0.136 0.000 1.140 376 M CB -1.168 31.568 32.600 0.227 0.000 1.369 376 M HN 0.012 nan 8.290 nan 0.000 0.423 377 T N 0.756 115.384 114.554 0.124 0.000 2.652 377 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 377 T C 1.961 176.850 174.700 0.315 0.000 1.039 377 T CA 1.518 63.735 62.100 0.195 0.000 1.153 377 T CB -0.130 68.837 68.868 0.165 0.000 0.863 377 T HN 0.303 nan 8.240 nan 0.000 0.428 378 K N 0.930 121.471 120.400 0.235 0.000 1.987 378 K HA -0.142 4.178 4.320 -0.000 0.000 0.216 378 K C 2.589 179.317 176.600 0.213 0.000 1.051 378 K CA 1.601 58.026 56.287 0.230 0.000 0.942 378 K CB -0.550 32.035 32.500 0.141 0.000 0.722 378 K HN 0.284 nan 8.250 nan 0.000 0.444 379 A N 0.993 123.899 122.820 0.142 0.000 1.958 379 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 379 A C 1.991 179.628 177.584 0.088 0.000 1.178 379 A CA 1.760 53.850 52.037 0.089 0.000 0.642 379 A CB -0.835 18.195 19.000 0.051 0.000 0.816 379 A HN 0.541 nan 8.150 nan 0.000 0.453 380 F N -0.894 119.020 119.950 -0.060 0.000 2.014 380 F HA -0.166 4.361 4.527 -0.000 0.000 0.295 380 F C 2.055 177.774 175.800 -0.134 0.000 1.145 380 F CA 1.732 59.610 58.000 -0.203 0.000 1.178 380 F CB -1.047 37.694 39.000 -0.432 0.000 0.972 380 F HN 0.383 nan 8.300 nan 0.000 0.476 381 W N 1.065 122.352 121.300 -0.021 0.000 2.305 381 W HA -0.275 4.385 4.660 0.000 0.000 0.308 381 W C 2.409 178.892 176.519 -0.060 0.000 1.226 381 W CA 1.169 58.449 57.345 -0.107 0.000 1.253 381 W CB -0.757 28.715 29.460 0.020 0.000 1.146 381 W HN 0.089 nan 8.180 nan 0.000 0.507 382 D N 0.068 120.576 120.400 0.181 0.000 2.156 382 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 382 D C 2.143 178.464 176.300 0.036 0.000 0.998 382 D CA 2.572 56.631 54.000 0.097 0.000 0.842 382 D CB -0.955 39.880 40.800 0.059 0.000 0.974 382 D HN -0.006 nan 8.370 nan 0.000 0.447 383 V N 0.114 119.997 119.914 -0.051 0.000 2.392 383 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 383 V C 2.206 178.229 176.094 -0.119 0.000 1.059 383 V CA 1.663 63.897 62.300 -0.110 0.000 1.051 383 V CB -0.960 30.753 31.823 -0.184 0.000 0.658 383 V HN 0.208 nan 8.190 nan 0.000 0.455 384 Y N 1.839 121.910 120.300 -0.383 0.000 2.070 384 Y HA -0.289 4.260 4.550 -0.000 0.000 0.280 384 Y C 2.476 178.430 175.900 0.089 0.000 1.148 384 Y CA 2.321 60.222 58.100 -0.332 0.000 1.125 384 Y CB -0.596 37.426 38.460 -0.730 0.000 0.975 384 Y HN 0.286 nan 8.280 nan 0.000 0.492 385 N N -1.217 117.663 118.700 0.299 0.000 2.104 385 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 385 N C 1.599 177.127 175.510 0.030 0.000 1.024 385 N CA 1.900 55.071 53.050 0.201 0.000 0.853 385 N CB -0.246 38.369 38.487 0.213 0.000 1.008 385 N HN 0.343 nan 8.380 nan 0.000 0.424 386 T N -0.315 114.247 114.554 0.014 0.000 2.746 386 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 386 T C 1.672 176.323 174.700 -0.080 0.000 1.039 386 T CA 1.664 63.747 62.100 -0.028 0.000 1.142 386 T CB -0.506 68.348 68.868 -0.023 0.000 0.866 386 T HN 0.583 nan 8.240 nan 0.000 0.444 387 H N 0.987 119.934 119.070 -0.204 0.000 2.387 387 H HA 0.086 4.642 4.556 -0.000 0.000 0.299 387 H C 2.225 177.424 175.328 -0.215 0.000 1.090 387 H CA 1.505 57.398 56.048 -0.259 0.000 1.332 387 H CB -0.068 29.482 29.762 -0.354 0.000 1.386 387 H HN 0.214 nan 8.280 nan 0.000 0.516 388 K N 0.304 120.211 120.400 -0.822 0.000 1.967 388 K HA -0.142 4.178 4.320 -0.000 0.000 0.212 388 K C 2.430 178.840 176.600 -0.317 0.000 1.044 388 K CA 1.351 57.221 56.287 -0.696 0.000 0.942 388 K CB -0.111 32.176 32.500 -0.355 0.000 0.726 388 K HN 0.276 nan 8.250 nan 0.000 0.440 389 E N 0.884 120.976 120.200 -0.180 0.000 2.136 389 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 389 E C 1.198 177.750 176.600 -0.080 0.000 1.019 389 E CA 1.589 57.932 56.400 -0.094 0.000 0.819 389 E CB 0.155 29.826 29.700 -0.049 0.000 0.739 389 E HN 0.228 nan 8.360 nan 0.000 0.458 390 K N -0.071 120.273 120.400 -0.093 0.000 2.374 390 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 390 K C 0.174 176.744 176.600 -0.049 0.000 1.023 390 K CA -0.131 56.125 56.287 -0.050 0.000 1.103 390 K CB 0.217 32.696 32.500 -0.034 0.000 0.848 390 K HN -0.001 nan 8.250 nan 0.000 0.528 391 N N 1.783 120.426 118.700 -0.094 0.000 2.671 391 N HA -0.163 4.577 4.740 -0.000 0.000 0.261 391 N C -0.998 174.505 175.510 -0.011 0.000 1.053 391 N CA 0.708 53.738 53.050 -0.033 0.000 0.732 391 N CB -1.196 37.306 38.487 0.024 0.000 0.887 391 N HN 0.504 nan 8.380 nan 0.000 0.546 392 I N -3.117 117.363 120.570 -0.149 0.000 3.191 392 I HA 0.605 4.775 4.170 -0.000 0.000 0.313 392 I C -0.224 175.633 176.117 -0.434 0.000 1.193 392 I CA -1.367 59.735 61.300 -0.329 0.000 0.968 392 I CB 1.923 39.650 38.000 -0.456 0.000 1.262 392 I HN 0.153 nan 8.210 nan 0.000 0.456 393 N N 3.385 121.693 118.700 -0.653 0.000 2.518 393 N HA 0.279 5.019 4.740 -0.000 0.000 0.283 393 N C 0.772 176.071 175.510 -0.352 0.000 1.119 393 N CA -0.794 51.870 53.050 -0.643 0.000 0.983 393 N CB 0.895 38.975 38.487 -0.677 0.000 1.139 393 N HN 0.701 nan 8.380 nan 0.000 0.465 394 M N 0.640 120.029 119.600 -0.351 0.000 2.240 394 M HA -0.330 4.150 4.480 -0.000 0.000 0.250 394 M C 1.988 178.186 176.300 -0.169 0.000 1.075 394 M CA 1.990 57.125 55.300 -0.275 0.000 1.072 394 M CB -1.306 31.136 32.600 -0.264 0.000 1.305 394 M HN 0.873 nan 8.290 nan 0.000 0.414 395 R N 0.142 120.579 120.500 -0.105 0.000 2.083 395 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 395 R C 1.829 178.196 176.300 0.112 0.000 1.137 395 R CA 2.155 58.291 56.100 0.059 0.000 0.951 395 R CB -0.184 30.188 30.300 0.120 0.000 0.851 395 R HN 0.315 nan 8.270 nan 0.000 0.434 396 D N -0.019 120.336 120.400 -0.074 0.000 2.097 396 D HA -0.079 4.561 4.640 -0.000 0.000 0.197 396 D C 1.765 177.999 176.300 -0.110 0.000 0.984 396 D CA 1.482 55.391 54.000 -0.152 0.000 0.826 396 D CB -0.413 40.127 40.800 -0.435 0.000 0.973 396 D HN 0.387 nan 8.370 nan 0.000 0.460 397 A N 1.449 124.178 122.820 -0.151 0.000 1.852 397 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 397 A C 2.369 179.919 177.584 -0.056 0.000 1.215 397 A CA 3.302 55.276 52.037 -0.105 0.000 0.641 397 A CB -1.330 17.606 19.000 -0.107 0.000 0.838 397 A HN 0.258 nan 8.150 nan 0.000 0.450 398 A N -1.549 121.218 122.820 -0.088 0.000 1.894 398 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 398 A C 2.103 179.698 177.584 0.019 0.000 1.237 398 A CA 2.269 54.225 52.037 -0.134 0.000 0.660 398 A CB -1.245 17.501 19.000 -0.424 0.000 0.835 398 A HN 0.702 nan 8.150 nan 0.000 0.461 399 Y N -0.755 119.571 120.300 0.042 0.000 2.256 399 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 399 Y C 2.627 178.448 175.900 -0.132 0.000 1.155 399 Y CA 1.337 59.392 58.100 -0.075 0.000 1.203 399 Y CB -0.471 37.858 38.460 -0.219 0.000 0.980 399 Y HN 0.124 nan 8.280 nan 0.000 0.530 400 V N -1.271 118.678 119.914 0.059 0.000 2.261 400 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 400 V C 2.222 178.326 176.094 0.016 0.000 1.047 400 V CA 1.648 63.959 62.300 0.018 0.000 1.015 400 V CB -0.734 31.095 31.823 0.010 0.000 0.642 400 V HN 0.205 nan 8.190 nan 0.000 0.446 401 V N 0.069 119.990 119.914 0.012 0.000 2.255 401 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 401 V C 2.650 178.771 176.094 0.044 0.000 1.051 401 V CA 2.260 64.572 62.300 0.020 0.000 1.018 401 V CB -1.108 30.714 31.823 -0.001 0.000 0.641 401 V HN 0.586 nan 8.190 nan 0.000 0.445 402 A N -0.100 122.749 122.820 0.048 0.000 1.841 402 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 402 A C 2.331 179.996 177.584 0.135 0.000 1.199 402 A CA 2.410 54.514 52.037 0.112 0.000 0.621 402 A CB -0.932 18.168 19.000 0.167 0.000 0.835 402 A HN 0.352 nan 8.150 nan 0.000 0.445 403 V N 1.254 121.183 119.914 0.026 0.000 2.490 403 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 403 V C 2.949 179.108 176.094 0.109 0.000 1.061 403 V CA 2.310 64.619 62.300 0.015 0.000 1.064 403 V CB -1.311 30.382 31.823 -0.217 0.000 0.670 403 V HN 0.838 nan 8.190 nan 0.000 0.461 404 S N 1.179 116.935 115.700 0.094 0.000 2.353 404 S HA -0.283 4.187 4.470 -0.000 0.000 0.222 404 S C 2.102 176.809 174.600 0.180 0.000 1.035 404 S CA 1.576 59.872 58.200 0.160 0.000 1.025 404 S CB -0.603 62.661 63.200 0.108 0.000 0.902 404 S HN 0.563 nan 8.310 nan 0.000 0.440 405 R N 0.420 120.995 120.500 0.126 0.000 2.139 405 R HA -0.034 4.306 4.340 -0.000 0.000 0.243 405 R C 2.185 178.556 176.300 0.118 0.000 1.145 405 R CA 1.537 57.698 56.100 0.100 0.000 0.976 405 R CB -0.677 29.674 30.300 0.085 0.000 0.866 405 R HN 0.422 nan 8.270 nan 0.000 0.449 406 V N -0.374 119.655 119.914 0.191 0.000 3.052 406 V HA -0.157 3.963 4.120 -0.000 0.000 0.254 406 V C 1.657 177.879 176.094 0.214 0.000 1.100 406 V CA 0.894 63.321 62.300 0.212 0.000 1.112 406 V CB -0.523 31.503 31.823 0.339 0.000 0.738 406 V HN 0.255 nan 8.190 nan 0.000 0.469 407 Y N 1.610 121.956 120.300 0.077 0.000 2.133 407 Y HA -0.225 4.325 4.550 -0.000 0.000 0.287 407 Y C 2.636 178.527 175.900 -0.014 0.000 1.134 407 Y CA 2.120 60.246 58.100 0.044 0.000 1.133 407 Y CB -0.564 37.919 38.460 0.039 0.000 0.987 407 Y HN 0.230 nan 8.280 nan 0.000 0.502 408 Q N 0.548 120.284 119.800 -0.106 0.000 2.112 408 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 408 Q C 2.346 178.222 176.000 -0.207 0.000 0.987 408 Q CA 2.265 57.940 55.803 -0.214 0.000 0.858 408 Q CB -0.843 27.832 28.738 -0.105 0.000 0.905 408 Q HN 0.562 nan 8.270 nan 0.000 0.420 409 A N -0.525 122.203 122.820 -0.153 0.000 1.898 409 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 409 A C 2.067 179.413 177.584 -0.397 0.000 1.181 409 A CA 1.608 53.509 52.037 -0.228 0.000 0.620 409 A CB -0.470 18.425 19.000 -0.175 0.000 0.819 409 A HN 0.476 nan 8.150 nan 0.000 0.442 410 M N -1.172 118.219 119.600 -0.348 0.000 2.296 410 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 410 M C 2.088 178.170 176.300 -0.363 0.000 1.064 410 M CA 1.429 56.449 55.300 -0.466 0.000 1.109 410 M CB -0.125 32.423 32.600 -0.087 0.000 1.396 410 M HN 0.348 nan 8.290 nan 0.000 0.430 411 K N 0.510 120.728 120.400 -0.304 0.000 1.980 411 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 411 K C 1.442 177.903 176.600 -0.231 0.000 1.043 411 K CA 1.451 57.577 56.287 -0.269 0.000 0.938 411 K CB 0.032 32.315 32.500 -0.362 0.000 0.724 411 K HN 0.092 nan 8.250 nan 0.000 0.438 412 D N 0.293 120.551 120.400 -0.235 0.000 2.203 412 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 412 D C 1.715 177.897 176.300 -0.196 0.000 0.997 412 D CA 1.227 55.115 54.000 -0.187 0.000 0.863 412 D CB 0.005 40.705 40.800 -0.167 0.000 0.928 412 D HN 0.199 nan 8.370 nan 0.000 0.458 413 R N -0.798 119.515 120.500 -0.312 0.000 2.246 413 R HA 0.166 4.506 4.340 -0.000 0.000 0.199 413 R C 1.206 177.405 176.300 -0.168 0.000 0.984 413 R CA 0.633 56.533 56.100 -0.334 0.000 1.015 413 R CB 0.307 30.109 30.300 -0.831 0.000 0.930 413 R HN 0.138 nan 8.270 nan 0.000 0.475 414 G N 0.517 109.228 108.800 -0.149 0.000 2.256 414 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.272 414 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.272 414 G C 0.116 175.083 174.900 0.113 0.000 1.076 414 G CA 0.053 45.139 45.100 -0.023 0.000 0.882 414 G HN 0.313 nan 8.290 nan 0.000 0.497 415 W N -0.229 120.963 121.300 -0.182 0.000 2.453 415 W HA 0.342 5.002 4.660 0.000 0.000 0.289 415 W C 1.824 178.161 176.519 -0.302 0.000 1.215 415 W CA 1.111 58.286 57.345 -0.284 0.000 1.297 415 W CB -0.208 28.953 29.460 -0.499 0.000 1.113 415 W HN 0.622 nan 8.180 nan 0.000 0.551 416 I N -2.520 118.036 120.570 -0.023 0.000 2.846 416 I HA 0.483 4.652 4.170 -0.000 0.000 0.307 416 I C 0.570 176.677 176.117 -0.015 0.000 1.053 416 I CA -1.005 60.276 61.300 -0.031 0.000 1.050 416 I CB 2.182 40.172 38.000 -0.017 0.000 1.239 416 I HN -0.441 nan 8.210 nan 0.000 0.439 417 K N 1.501 121.902 120.400 0.002 0.000 2.367 417 K HA 0.334 4.654 4.320 -0.000 0.000 0.194 417 K C 0.117 176.709 176.600 -0.013 0.000 1.027 417 K CA 0.391 56.673 56.287 -0.010 0.000 1.075 417 K CB 0.371 32.872 32.500 0.001 0.000 0.845 417 K HN 0.504 nan 8.250 nan 0.000 0.529 418 K N 0.000 120.410 120.400 0.016 0.000 2.780 418 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 418 K CA 0.000 56.310 56.287 0.039 0.000 0.838 418 K CB 0.000 32.533 32.500 0.055 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543