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_D 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 0.000 176.057 176.000 0.096 0.000 1.003 3 Q CA 0.000 55.869 55.803 0.110 0.000 1.022 3 Q CB 0.000 28.776 28.738 0.063 0.000 1.108 4 D N 0.515 120.945 120.400 0.051 0.000 2.984 4 D HA -0.243 4.397 4.640 0.000 0.000 0.266 4 D C -1.026 175.295 176.300 0.035 0.000 1.083 4 D CA 3.671 57.689 54.000 0.030 0.000 0.985 4 D CB -0.645 40.164 40.800 0.015 0.000 1.137 4 D HN 0.480 nan 8.370 nan 0.000 0.495 5 P HA -0.199 nan 4.420 nan 0.000 0.216 5 P C 1.718 179.080 177.300 0.103 0.000 1.167 5 P CA 1.619 64.735 63.100 0.027 0.000 0.914 5 P CB -0.403 31.299 31.700 0.004 0.000 0.793 6 F N 1.126 121.071 119.950 -0.008 0.000 2.075 6 F HA -0.146 4.381 4.527 0.000 0.000 0.297 6 F C 2.387 178.227 175.800 0.067 0.000 1.113 6 F CA 1.512 59.532 58.000 0.034 0.000 1.218 6 F CB -1.249 37.773 39.000 0.037 0.000 0.984 6 F HN -0.080 nan 8.300 nan 0.000 0.472 7 E N 0.291 120.476 120.200 -0.025 0.000 2.065 7 E HA -0.279 4.071 4.350 0.000 0.000 0.201 7 E C 2.341 178.886 176.600 -0.092 0.000 1.016 7 E CA 2.250 58.584 56.400 -0.109 0.000 0.818 7 E CB -0.383 29.308 29.700 -0.016 0.000 0.749 7 E HN 0.461 nan 8.360 nan 0.000 0.453 8 I N 0.567 121.122 120.570 -0.024 0.000 2.248 8 I HA -0.321 3.849 4.170 0.000 0.000 0.248 8 I C 2.514 178.664 176.117 0.054 0.000 1.107 8 I CA 1.072 62.374 61.300 0.004 0.000 1.373 8 I CB -0.660 37.343 38.000 0.004 0.000 1.055 8 I HN 0.149 nan 8.210 nan 0.000 0.418 9 A N 1.008 123.872 122.820 0.073 0.000 1.858 9 A HA -0.136 4.184 4.320 0.000 0.000 0.216 9 A C 2.461 180.150 177.584 0.176 0.000 1.190 9 A CA 1.749 53.966 52.037 0.299 0.000 0.617 9 A CB -1.036 18.178 19.000 0.356 0.000 0.827 9 A HN 0.223 nan 8.150 nan 0.000 0.443 10 V N 0.610 120.461 119.914 -0.105 0.000 2.324 10 V HA -0.346 3.774 4.120 0.000 0.000 0.250 10 V C 2.456 178.516 176.094 -0.056 0.000 1.060 10 V CA 2.492 64.717 62.300 -0.125 0.000 1.042 10 V CB -0.799 30.843 31.823 -0.303 0.000 0.650 10 V HN 0.553 nan 8.190 nan 0.000 0.450 11 K N -0.404 119.966 120.400 -0.051 0.000 2.097 11 K HA -0.179 4.141 4.320 0.000 0.000 0.205 11 K C 2.264 178.821 176.600 -0.072 0.000 1.050 11 K CA 1.363 57.619 56.287 -0.051 0.000 0.938 11 K CB -0.249 32.230 32.500 -0.036 0.000 0.718 11 K HN 0.588 nan 8.250 nan 0.000 0.442 12 Q N 0.787 120.567 119.800 -0.033 0.000 2.061 12 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 12 Q C 2.294 178.044 176.000 -0.417 0.000 0.984 12 Q CA 1.233 56.935 55.803 -0.168 0.000 0.846 12 Q CB -0.396 28.360 28.738 0.032 0.000 0.902 12 Q HN 0.219 nan 8.270 nan 0.000 0.421 13 L N 1.333 122.395 121.223 -0.269 0.000 1.955 13 L HA -0.182 4.158 4.340 0.000 0.000 0.213 13 L C 2.060 178.784 176.870 -0.243 0.000 1.072 13 L CA 1.926 56.585 54.840 -0.302 0.000 0.755 13 L CB -0.783 41.232 42.059 -0.072 0.000 0.888 13 L HN 0.144 nan 8.230 nan 0.000 0.432 14 E N -0.372 119.739 120.200 -0.148 0.000 2.108 14 E HA -0.369 3.981 4.350 0.000 0.000 0.203 14 E C 2.255 178.765 176.600 -0.149 0.000 1.022 14 E CA 2.012 58.338 56.400 -0.124 0.000 0.823 14 E CB -0.299 29.345 29.700 -0.092 0.000 0.744 14 E HN 0.584 nan 8.360 nan 0.000 0.456 15 R N 0.841 121.244 120.500 -0.161 0.000 2.083 15 R HA -0.133 4.207 4.340 0.000 0.000 0.237 15 R C 2.153 178.373 176.300 -0.132 0.000 1.137 15 R CA 1.780 57.793 56.100 -0.145 0.000 0.951 15 R CB -0.390 29.837 30.300 -0.121 0.000 0.851 15 R HN 0.108 nan 8.270 nan 0.000 0.434 16 A N 0.618 123.332 122.820 -0.177 0.000 2.066 16 A HA 0.148 4.468 4.320 0.000 0.000 0.218 16 A C 2.401 179.965 177.584 -0.034 0.000 1.157 16 A CA 1.065 53.076 52.037 -0.044 0.000 0.670 16 A CB -0.617 18.245 19.000 -0.230 0.000 0.804 16 A HN 0.586 nan 8.150 nan 0.000 0.453 17 A N 0.429 123.170 122.820 -0.131 0.000 1.978 17 A HA -0.242 4.078 4.320 0.000 0.000 0.220 17 A C 2.124 179.625 177.584 -0.139 0.000 1.170 17 A CA 1.698 53.657 52.037 -0.131 0.000 0.636 17 A CB -0.649 18.265 19.000 -0.144 0.000 0.810 17 A HN 0.789 nan 8.150 nan 0.000 0.448 18 Q N -1.974 117.700 119.800 -0.211 0.000 2.439 18 Q HA -0.181 4.159 4.340 0.000 0.000 0.211 18 Q C 0.962 176.713 176.000 -0.415 0.000 0.978 18 Q CA 1.718 57.322 55.803 -0.332 0.000 0.897 18 Q CB -0.378 28.074 28.738 -0.477 0.000 0.956 18 Q HN 0.723 nan 8.270 nan 0.000 0.483 19 Y N 0.633 120.881 120.300 -0.086 0.000 2.449 19 Y HA 0.313 4.863 4.550 0.000 0.000 0.254 19 Y C 0.905 176.770 175.900 -0.059 0.000 1.140 19 Y CA -0.171 57.888 58.100 -0.069 0.000 1.272 19 Y CB 0.576 38.993 38.460 -0.073 0.000 1.114 19 Y HN 0.245 nan 8.280 nan 0.000 0.525 20 M N -1.845 117.782 119.600 0.046 0.000 2.667 20 M HA 0.510 4.991 4.480 0.000 0.000 0.286 20 M C -1.822 174.465 176.300 -0.021 0.000 1.270 20 M CA -0.956 54.356 55.300 0.020 0.000 0.826 20 M CB 2.359 34.969 32.600 0.017 0.000 1.743 20 M HN -0.242 nan 8.290 nan 0.000 0.460 21 D N 1.841 122.245 120.400 0.007 0.000 2.249 21 D HA 0.734 5.374 4.640 0.000 0.000 0.246 21 D C -1.289 175.009 176.300 -0.003 0.000 1.114 21 D CA -0.079 53.924 54.000 0.006 0.000 0.854 21 D CB 1.092 41.916 40.800 0.041 0.000 1.132 21 D HN 0.729 nan 8.370 nan 0.000 0.461 22 I N 1.417 121.915 120.570 -0.120 0.000 2.741 22 I HA 0.183 4.353 4.170 0.000 0.000 0.288 22 I C -0.569 175.379 176.117 -0.282 0.000 1.482 22 I CA -0.442 60.583 61.300 -0.459 0.000 1.050 22 I CB 1.300 38.854 38.000 -0.744 0.000 1.388 22 I HN 0.394 nan 8.210 nan 0.000 0.428 23 S N 4.929 120.545 115.700 -0.139 0.000 2.564 23 S HA -0.015 4.455 4.470 0.000 0.000 0.263 23 S C 0.774 175.338 174.600 -0.061 0.000 1.378 23 S CA -0.000 58.198 58.200 -0.002 0.000 0.996 23 S CB 0.691 63.969 63.200 0.130 0.000 0.881 23 S HN 0.843 nan 8.310 nan 0.000 0.555 24 E N 0.629 120.825 120.200 -0.007 0.000 2.276 24 E HA -0.101 4.249 4.350 0.000 0.000 0.193 24 E C 1.986 178.607 176.600 0.034 0.000 0.983 24 E CA 0.644 57.041 56.400 -0.005 0.000 0.861 24 E CB -0.030 29.671 29.700 0.002 0.000 0.817 24 E HN 0.875 nan 8.360 nan 0.000 0.485 25 E N 0.528 120.767 120.200 0.065 0.000 2.077 25 E HA -0.152 4.198 4.350 0.000 0.000 0.193 25 E C 2.035 178.732 176.600 0.161 0.000 0.989 25 E CA 1.052 57.520 56.400 0.112 0.000 0.800 25 E CB -0.278 29.492 29.700 0.117 0.000 0.746 25 E HN 0.129 nan 8.360 nan 0.000 0.452 26 A N 2.083 124.979 122.820 0.127 0.000 1.902 26 A HA -0.121 4.199 4.320 0.000 0.000 0.217 26 A C 2.306 179.961 177.584 0.118 0.000 1.181 26 A CA 1.099 53.214 52.037 0.131 0.000 0.623 26 A CB -0.611 18.372 19.000 -0.029 0.000 0.818 26 A HN 0.293 nan 8.150 nan 0.000 0.443 27 L N -0.936 120.305 121.223 0.029 0.000 2.027 27 L HA -0.132 4.208 4.340 0.000 0.000 0.206 27 L C 2.624 179.548 176.870 0.091 0.000 1.074 27 L CA 1.917 56.777 54.840 0.034 0.000 0.745 27 L CB -0.661 41.383 42.059 -0.025 0.000 0.898 27 L HN 0.359 nan 8.230 nan 0.000 0.433 28 E N -0.287 119.966 120.200 0.088 0.000 2.118 28 E HA -0.255 4.095 4.350 0.000 0.000 0.195 28 E C 1.877 178.529 176.600 0.086 0.000 0.992 28 E CA 1.190 57.633 56.400 0.071 0.000 0.804 28 E CB -0.350 29.386 29.700 0.061 0.000 0.741 28 E HN 0.347 nan 8.360 nan 0.000 0.458 29 F N 0.309 120.278 119.950 0.032 0.000 2.084 29 F HA -0.043 4.484 4.527 0.000 0.000 0.296 29 F C 1.851 177.673 175.800 0.037 0.000 1.111 29 F CA 1.044 59.059 58.000 0.024 0.000 1.224 29 F CB -0.115 38.925 39.000 0.067 0.000 0.991 29 F HN -0.035 nan 8.300 nan 0.000 0.471 30 L N 0.186 121.627 121.223 0.363 0.000 2.642 30 L HA -0.155 4.185 4.340 0.000 0.000 0.236 30 L C 1.638 178.723 176.870 0.359 0.000 1.169 30 L CA 0.925 56.000 54.840 0.392 0.000 0.851 30 L CB -0.605 41.700 42.059 0.411 0.000 0.968 30 L HN 0.184 nan 8.230 nan 0.000 0.453 31 K N 0.384 120.898 120.400 0.190 0.000 2.367 31 K HA 0.120 4.440 4.320 0.000 0.000 0.194 31 K C 0.159 176.910 176.600 0.251 0.000 1.027 31 K CA 0.076 56.488 56.287 0.207 0.000 1.075 31 K CB 0.509 33.066 32.500 0.094 0.000 0.845 31 K HN 0.336 nan 8.250 nan 0.000 0.529 32 R N 0.726 121.218 120.500 -0.012 0.000 2.673 32 R HA 0.395 4.735 4.340 0.000 0.000 0.281 32 R C -3.237 172.654 176.300 -0.681 0.000 0.991 32 R CA -2.372 53.643 56.100 -0.141 0.000 0.896 32 R CB 0.772 30.985 30.300 -0.145 0.000 1.201 32 R HN -0.257 nan 8.270 nan 0.000 0.457 33 P HA 0.044 nan 4.420 nan 0.000 0.268 33 P C 0.035 176.999 177.300 -0.559 0.000 1.205 33 P CA -0.235 62.326 63.100 -0.899 0.000 0.771 33 P CB 0.757 32.278 31.700 -0.298 0.000 0.858 34 Q N 1.205 120.685 119.800 -0.533 0.000 2.079 34 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 34 Q C 0.776 176.627 176.000 -0.247 0.000 0.974 34 Q CA 1.285 56.783 55.803 -0.509 0.000 0.840 34 Q CB 0.108 28.330 28.738 -0.860 0.000 0.898 34 Q HN 0.402 nan 8.270 nan 0.000 0.430 35 R N -0.080 120.376 120.500 -0.073 0.000 2.604 35 R HA 0.518 4.859 4.340 0.000 0.000 0.281 35 R C -1.888 174.443 176.300 0.052 0.000 1.020 35 R CA -0.328 55.805 56.100 0.055 0.000 0.899 35 R CB 1.381 31.826 30.300 0.242 0.000 1.205 35 R HN -0.030 nan 8.270 nan 0.000 0.450 36 I N 4.437 125.026 120.570 0.032 0.000 2.478 36 I HA 0.354 4.524 4.170 0.000 0.000 0.287 36 I C -0.886 175.273 176.117 0.070 0.000 1.042 36 I CA -1.012 60.315 61.300 0.045 0.000 1.067 36 I CB 2.238 40.239 38.000 0.003 0.000 1.233 36 I HN 0.253 nan 8.210 nan 0.000 0.431 37 V N 5.345 125.318 119.914 0.099 0.000 2.495 37 V HA 0.471 4.591 4.120 0.000 0.000 0.298 37 V C -0.256 175.929 176.094 0.152 0.000 1.031 37 V CA -0.623 61.732 62.300 0.091 0.000 0.871 37 V CB 1.897 33.750 31.823 0.050 0.000 0.988 37 V HN 0.742 nan 8.190 nan 0.000 0.432 38 E N 3.498 123.783 120.200 0.141 0.000 2.234 38 E HA 0.725 5.075 4.350 0.000 0.000 0.266 38 E C -1.576 175.055 176.600 0.052 0.000 0.877 38 E CA -0.563 55.938 56.400 0.169 0.000 0.758 38 E CB 2.343 32.223 29.700 0.300 0.000 1.170 38 E HN 0.626 nan 8.360 nan 0.000 0.415 39 V N 0.852 120.753 119.914 -0.020 0.000 2.876 39 V HA 0.641 4.761 4.120 0.000 0.000 0.312 39 V C -0.310 175.764 176.094 -0.034 0.000 1.085 39 V CA -0.975 61.313 62.300 -0.019 0.000 0.945 39 V CB 1.472 33.286 31.823 -0.014 0.000 1.017 39 V HN 0.651 nan 8.190 nan 0.000 0.428 40 S N 3.385 119.080 115.700 -0.008 0.000 2.442 40 S HA 0.756 5.226 4.470 0.000 0.000 0.297 40 S C -0.620 173.996 174.600 0.027 0.000 1.131 40 S CA -0.513 57.686 58.200 -0.002 0.000 1.092 40 S CB 0.568 63.764 63.200 -0.006 0.000 0.998 40 S HN 0.717 nan 8.310 nan 0.000 0.478 41 I N 5.416 126.023 120.570 0.062 0.000 2.464 41 I HA 0.343 4.513 4.170 0.000 0.000 0.277 41 I C -2.372 173.820 176.117 0.126 0.000 1.040 41 I CA -2.564 58.793 61.300 0.095 0.000 1.153 41 I CB 1.878 39.955 38.000 0.128 0.000 1.274 41 I HN 0.494 nan 8.210 nan 0.000 0.469 42 P HA 0.068 nan 4.420 nan 0.000 0.267 42 P C -0.571 176.789 177.300 0.099 0.000 1.209 42 P CA 0.142 63.286 63.100 0.073 0.000 0.763 42 P CB 1.061 32.782 31.700 0.034 0.000 0.816 43 V N 3.714 123.718 119.914 0.151 0.000 2.588 43 V HA 0.248 4.368 4.120 0.000 0.000 0.304 43 V C 0.356 176.501 176.094 0.084 0.000 1.042 43 V CA -0.753 61.617 62.300 0.117 0.000 0.877 43 V CB 1.883 33.795 31.823 0.149 0.000 0.996 43 V HN 0.536 nan 8.190 nan 0.000 0.425 44 E N 5.228 125.447 120.200 0.031 0.000 2.152 44 E HA 0.281 4.631 4.350 0.000 0.000 0.285 44 E C -0.668 175.939 176.600 0.012 0.000 1.043 44 E CA -0.701 55.708 56.400 0.015 0.000 0.839 44 E CB 0.724 30.421 29.700 -0.005 0.000 1.069 44 E HN 0.445 nan 8.360 nan 0.000 0.399 45 M N 3.278 122.891 119.600 0.022 0.000 2.247 45 M HA 0.073 4.553 4.480 0.000 0.000 0.326 45 M C 0.888 177.187 176.300 -0.001 0.000 1.134 45 M CA -0.211 55.100 55.300 0.018 0.000 1.136 45 M CB 0.416 33.035 32.600 0.031 0.000 1.454 45 M HN 0.502 nan 8.290 nan 0.000 0.467 46 D N 1.531 121.928 120.400 -0.006 0.000 2.190 46 D HA -0.190 4.450 4.640 0.000 0.000 0.200 46 D C 0.814 177.108 176.300 -0.010 0.000 0.992 46 D CA 1.549 55.542 54.000 -0.012 0.000 0.854 46 D CB -0.111 40.682 40.800 -0.011 0.000 0.936 46 D HN 0.683 nan 8.370 nan 0.000 0.462 47 D N -1.284 119.112 120.400 -0.007 0.000 2.332 47 D HA 0.129 4.770 4.640 0.000 0.000 0.244 47 D C 1.458 177.753 176.300 -0.009 0.000 1.136 47 D CA 0.770 54.766 54.000 -0.008 0.000 0.884 47 D CB -0.239 40.556 40.800 -0.007 0.000 0.906 47 D HN 0.189 nan 8.370 nan 0.000 0.520 48 G N -0.109 108.686 108.800 -0.009 0.000 2.234 48 G HA2 -0.324 3.636 3.960 0.000 0.000 0.260 48 G HA3 -0.324 3.636 3.960 0.000 0.000 0.260 48 G C 0.487 175.382 174.900 -0.008 0.000 0.987 48 G CA 0.538 45.633 45.100 -0.009 0.000 0.625 48 G HN 0.916 nan 8.290 nan 0.000 0.532 49 S N -0.484 115.211 115.700 -0.007 0.000 2.601 49 S HA 0.707 5.178 4.470 0.000 0.000 0.271 49 S C 0.092 174.690 174.600 -0.002 0.000 1.305 49 S CA -0.229 57.965 58.200 -0.009 0.000 1.022 49 S CB 2.518 65.710 63.200 -0.013 0.000 0.940 49 S HN 0.973 nan 8.310 nan 0.000 0.525 50 V N 2.586 122.496 119.914 -0.006 0.000 2.472 50 V HA 0.521 4.641 4.120 0.000 0.000 0.290 50 V C 0.153 176.241 176.094 -0.010 0.000 1.037 50 V CA -0.616 61.686 62.300 0.004 0.000 0.908 50 V CB 1.347 33.171 31.823 0.001 0.000 0.985 50 V HN 0.977 nan 8.190 nan 0.000 0.454 51 K N 3.960 124.366 120.400 0.011 0.000 2.463 51 K HA 0.574 4.894 4.320 0.000 0.000 0.255 51 K C -1.342 175.192 176.600 -0.110 0.000 0.942 51 K CA -0.568 55.670 56.287 -0.081 0.000 0.814 51 K CB 1.972 34.404 32.500 -0.113 0.000 1.122 51 K HN 0.466 nan 8.250 nan 0.000 0.425 52 V N 5.895 125.700 119.914 -0.182 0.000 2.470 52 V HA 0.225 4.345 4.120 0.000 0.000 0.276 52 V C -0.359 175.562 176.094 -0.288 0.000 1.040 52 V CA 0.021 62.243 62.300 -0.130 0.000 1.008 52 V CB -0.210 31.562 31.823 -0.086 0.000 0.990 52 V HN 0.566 nan 8.190 nan 0.000 0.477 53 F N 2.239 122.142 119.950 -0.078 0.000 2.470 53 F HA 0.539 5.066 4.527 0.000 0.000 0.329 53 F C 0.758 176.489 175.800 -0.116 0.000 1.072 53 F CA -0.484 57.451 58.000 -0.109 0.000 0.989 53 F CB 1.858 40.768 39.000 -0.149 0.000 1.193 53 F HN 0.268 nan 8.300 nan 0.000 0.481 54 T N 1.361 115.929 114.554 0.023 0.000 2.770 54 T HA 0.654 5.005 4.350 0.000 0.000 0.283 54 T C -0.038 174.459 174.700 -0.337 0.000 0.988 54 T CA -0.716 61.294 62.100 -0.152 0.000 0.957 54 T CB 1.104 69.871 68.868 -0.168 0.000 0.930 54 T HN 0.846 nan 8.240 nan 0.000 0.443 55 G N 2.012 110.578 108.800 -0.389 0.000 2.605 55 G HA2 0.810 4.770 3.960 0.000 0.000 0.296 55 G HA3 0.810 4.770 3.960 0.000 0.000 0.296 55 G C -1.687 172.904 174.900 -0.515 0.000 1.304 55 G CA -0.744 44.130 45.100 -0.376 0.000 0.941 55 G HN 0.536 nan 8.290 nan 0.000 0.475 56 F N -0.868 119.243 119.950 0.269 0.000 2.613 56 F HA 0.811 5.338 4.527 0.000 0.000 0.314 56 F C -0.041 175.895 175.800 0.226 0.000 1.075 56 F CA -1.135 56.972 58.000 0.178 0.000 0.945 56 F CB 2.772 41.841 39.000 0.115 0.000 1.310 56 F HN 0.489 nan 8.300 nan 0.000 0.467 57 R N 0.890 121.588 120.500 0.330 0.000 2.532 57 R HA 0.798 5.138 4.340 0.000 0.000 0.297 57 R C -2.297 174.104 176.300 0.169 0.000 0.984 57 R CA -0.599 55.642 56.100 0.235 0.000 0.884 57 R CB 1.853 32.230 30.300 0.128 0.000 1.182 57 R HN 0.551 nan 8.270 nan 0.000 0.442 58 V N 5.302 125.302 119.914 0.143 0.000 2.384 58 V HA 0.409 4.529 4.120 0.000 0.000 0.287 58 V C -0.458 175.715 176.094 0.132 0.000 1.020 58 V CA -0.644 61.722 62.300 0.109 0.000 0.850 58 V CB 1.607 33.471 31.823 0.068 0.000 0.987 58 V HN 0.714 nan 8.190 nan 0.000 0.436 59 Q N 3.413 123.313 119.800 0.166 0.000 2.506 59 Q HA 0.310 4.650 4.340 0.000 0.000 0.242 59 Q C -0.093 176.041 176.000 0.223 0.000 1.060 59 Q CA -0.488 55.470 55.803 0.257 0.000 0.826 59 Q CB 1.270 30.242 28.738 0.389 0.000 1.169 59 Q HN 0.810 nan 8.270 nan 0.000 0.521 60 Y N 2.314 122.641 120.300 0.045 0.000 2.109 60 Y HA -0.073 4.477 4.550 0.000 0.000 0.285 60 Y C 0.591 176.456 175.900 -0.058 0.000 1.131 60 Y CA 1.347 59.426 58.100 -0.035 0.000 1.121 60 Y CB 0.638 39.049 38.460 -0.082 0.000 0.987 60 Y HN 0.461 nan 8.280 nan 0.000 0.495 61 N N -1.260 117.523 118.700 0.138 0.000 2.369 61 N HA 0.065 4.805 4.740 0.000 0.000 0.287 61 N C -1.479 174.195 175.510 0.273 0.000 1.067 61 N CA -0.321 52.780 53.050 0.086 0.000 0.888 61 N CB 0.865 39.468 38.487 0.194 0.000 1.616 61 N HN 0.326 nan 8.380 nan 0.000 0.482 62 W N 3.281 124.779 121.300 0.330 0.000 2.653 62 W HA 0.553 5.213 4.660 0.000 0.000 0.391 62 W C 0.945 177.637 176.519 0.289 0.000 0.962 62 W CA -0.224 57.286 57.345 0.275 0.000 1.900 62 W CB -0.533 29.062 29.460 0.226 0.000 1.176 62 W HN 0.547 nan 8.180 nan 0.000 0.582 63 A N 2.082 125.091 122.820 0.316 0.000 1.927 63 A HA -0.233 4.087 4.320 0.000 0.000 0.220 63 A C 2.106 179.668 177.584 -0.037 0.000 1.185 63 A CA 1.803 53.730 52.037 -0.183 0.000 0.639 63 A CB -0.445 18.331 19.000 -0.373 0.000 0.820 63 A HN 0.408 nan 8.150 nan 0.000 0.451 64 R N -0.933 119.611 120.500 0.074 0.000 2.310 64 R HA 0.296 4.636 4.340 0.000 0.000 0.202 64 R C 0.757 177.125 176.300 0.113 0.000 0.933 64 R CA 0.662 56.797 56.100 0.059 0.000 1.054 64 R CB 0.002 30.331 30.300 0.050 0.000 0.985 64 R HN 0.661 nan 8.270 nan 0.000 0.489 65 G N 1.208 110.129 108.800 0.201 0.000 2.369 65 G HA2 -0.068 3.892 3.960 0.000 0.000 0.295 65 G HA3 -0.068 3.892 3.960 0.000 0.000 0.295 65 G C -3.127 171.925 174.900 0.254 0.000 1.298 65 G CA -1.282 43.950 45.100 0.220 0.000 0.940 65 G HN -0.205 nan 8.290 nan 0.000 0.536 66 P HA 0.299 nan 4.420 nan 0.000 0.265 66 P C 0.767 178.072 177.300 0.008 0.000 1.193 66 P CA 0.374 63.531 63.100 0.096 0.000 0.765 66 P CB 0.224 31.960 31.700 0.061 0.000 0.823 67 T N 0.369 114.922 114.554 -0.001 0.000 2.916 67 T HA 0.300 4.650 4.350 0.000 0.000 0.303 67 T C 0.088 174.617 174.700 -0.284 0.000 1.025 67 T CA -0.381 61.688 62.100 -0.052 0.000 1.142 67 T CB 0.313 69.225 68.868 0.073 0.000 0.947 67 T HN 0.127 nan 8.240 nan 0.000 0.544 68 K N 1.015 121.197 120.400 -0.363 0.000 2.208 68 K HA 0.826 5.146 4.320 0.000 0.000 0.247 68 K C -0.034 176.433 176.600 -0.222 0.000 0.953 68 K CA -0.363 55.644 56.287 -0.467 0.000 0.837 68 K CB 1.654 33.760 32.500 -0.657 0.000 1.131 68 K HN 1.238 nan 8.250 nan 0.000 0.431 69 G N 0.380 109.075 108.800 -0.177 0.000 2.308 69 G HA2 0.376 4.336 3.960 0.000 0.000 0.288 69 G HA3 0.376 4.336 3.960 0.000 0.000 0.288 69 G C -0.373 174.489 174.900 -0.064 0.000 1.722 69 G CA -0.422 44.620 45.100 -0.096 0.000 0.924 69 G HN 0.690 nan 8.290 nan 0.000 0.732 70 G N -0.457 108.311 108.800 -0.053 0.000 2.667 70 G HA2 0.540 4.501 3.960 0.000 0.000 0.250 70 G HA3 0.540 4.501 3.960 0.000 0.000 0.250 70 G C 0.191 175.075 174.900 -0.028 0.000 1.212 70 G CA -0.516 44.552 45.100 -0.053 0.000 0.874 70 G HN 0.864 nan 8.290 nan 0.000 0.561 71 I N 0.198 120.727 120.570 -0.068 0.000 2.406 71 I HA 0.380 4.550 4.170 0.000 0.000 0.290 71 I C -0.175 175.892 176.117 -0.084 0.000 0.999 71 I CA -0.651 60.607 61.300 -0.069 0.000 1.124 71 I CB 2.023 39.917 38.000 -0.176 0.000 1.289 71 I HN 0.372 nan 8.210 nan 0.000 0.441 72 R N 4.749 125.277 120.500 0.047 0.000 2.514 72 R HA 0.484 4.824 4.340 0.000 0.000 0.301 72 R C -1.617 174.901 176.300 0.364 0.000 0.962 72 R CA -0.576 55.596 56.100 0.120 0.000 0.882 72 R CB 1.917 32.279 30.300 0.102 0.000 1.143 72 R HN 0.419 nan 8.270 nan 0.000 0.452 73 W N 3.286 124.658 121.300 0.120 0.000 2.361 73 W HA 0.406 5.066 4.660 0.000 0.000 0.314 73 W C -0.003 176.725 176.519 0.349 0.000 1.041 73 W CA -0.157 57.287 57.345 0.165 0.000 1.241 73 W CB 0.783 30.310 29.460 0.111 0.000 1.279 73 W HN 0.421 nan 8.180 nan 0.000 0.436 74 H N 3.537 122.792 119.070 0.308 0.000 3.060 74 H HA 0.147 4.703 4.556 0.000 0.000 0.330 74 H C -2.056 173.368 175.328 0.160 0.000 1.305 74 H CA -1.245 54.960 56.048 0.261 0.000 1.209 74 H CB 2.885 32.779 29.762 0.220 0.000 1.913 74 H HN -0.007 nan 8.280 nan 0.000 0.534 75 P HA 0.103 nan 4.420 nan 0.000 0.234 75 P C 0.327 177.759 177.300 0.220 0.000 1.175 75 P CA 0.713 63.899 63.100 0.143 0.000 0.801 75 P CB 0.615 32.342 31.700 0.045 0.000 0.891 76 E N -0.411 120.030 120.200 0.401 0.000 2.419 76 E HA 0.063 4.414 4.350 0.000 0.000 0.190 76 E C 0.261 176.966 176.600 0.175 0.000 1.040 76 E CA -0.162 56.399 56.400 0.268 0.000 0.900 76 E CB -0.111 29.747 29.700 0.262 0.000 1.054 76 E HN 0.203 nan 8.360 nan 0.000 0.462 77 E N 1.285 121.619 120.200 0.222 0.000 2.390 77 E HA 0.114 4.464 4.350 0.000 0.000 0.261 77 E C -0.390 176.304 176.600 0.157 0.000 1.076 77 E CA 0.042 56.542 56.400 0.167 0.000 0.905 77 E CB 0.696 30.553 29.700 0.261 0.000 0.984 77 E HN 0.054 nan 8.360 nan 0.000 0.427 78 T N 1.730 116.320 114.554 0.059 0.000 2.923 78 T HA 0.208 4.558 4.350 0.000 0.000 0.311 78 T C 0.501 175.028 174.700 -0.290 0.000 1.183 78 T CA -0.844 61.227 62.100 -0.047 0.000 1.020 78 T CB 0.902 69.751 68.868 -0.033 0.000 1.165 78 T HN 0.380 nan 8.240 nan 0.000 0.482 79 L N 2.509 123.358 121.223 -0.624 0.000 2.051 79 L HA -0.104 4.236 4.340 0.000 0.000 0.214 79 L C 2.558 179.195 176.870 -0.389 0.000 1.076 79 L CA 2.500 56.869 54.840 -0.786 0.000 0.758 79 L CB -1.274 40.365 42.059 -0.700 0.000 0.890 79 L HN 0.892 nan 8.230 nan 0.000 0.433 80 S N -1.645 113.914 115.700 -0.234 0.000 2.382 80 S HA -0.179 4.291 4.470 0.000 0.000 0.228 80 S C 1.775 176.326 174.600 -0.082 0.000 1.027 80 S CA 1.587 59.715 58.200 -0.120 0.000 0.991 80 S CB -0.741 62.455 63.200 -0.006 0.000 0.823 80 S HN 0.596 nan 8.310 nan 0.000 0.469 81 T N 2.468 116.962 114.554 -0.100 0.000 2.708 81 T HA -0.052 4.298 4.350 0.000 0.000 0.266 81 T C 2.019 176.664 174.700 -0.092 0.000 1.037 81 T CA 1.345 63.396 62.100 -0.081 0.000 1.146 81 T CB -0.537 68.283 68.868 -0.079 0.000 0.865 81 T HN 0.226 nan 8.240 nan 0.000 0.435 82 V N 1.737 121.574 119.914 -0.129 0.000 2.295 82 V HA -0.191 3.929 4.120 0.000 0.000 0.246 82 V C 2.548 178.573 176.094 -0.115 0.000 1.049 82 V CA 1.534 63.773 62.300 -0.102 0.000 1.024 82 V CB -0.529 31.225 31.823 -0.115 0.000 0.648 82 V HN 0.450 nan 8.190 nan 0.000 0.447 83 K N 0.293 120.572 120.400 -0.202 0.000 2.032 83 K HA -0.163 4.157 4.320 0.000 0.000 0.209 83 K C 2.361 178.892 176.600 -0.115 0.000 1.048 83 K CA 1.589 57.706 56.287 -0.282 0.000 0.927 83 K CB -0.515 31.551 32.500 -0.724 0.000 0.712 83 K HN 0.476 nan 8.250 nan 0.000 0.441 84 A N 1.576 124.422 122.820 0.044 0.000 1.908 84 A HA -0.147 4.173 4.320 0.000 0.000 0.218 84 A C 2.187 179.800 177.584 0.049 0.000 1.181 84 A CA 1.363 53.520 52.037 0.201 0.000 0.627 84 A CB -0.630 18.440 19.000 0.117 0.000 0.818 84 A HN 0.171 nan 8.150 nan 0.000 0.445 85 L N -1.011 120.190 121.223 -0.038 0.000 2.109 85 L HA -0.096 4.244 4.340 0.000 0.000 0.207 85 L C 3.051 179.902 176.870 -0.032 0.000 1.086 85 L CA 0.825 55.642 54.840 -0.039 0.000 0.760 85 L CB -0.570 41.452 42.059 -0.061 0.000 0.910 85 L HN 0.406 nan 8.230 nan 0.000 0.437 86 A N 0.452 123.218 122.820 -0.090 0.000 1.908 86 A HA -0.201 4.119 4.320 0.000 0.000 0.218 86 A C 2.591 179.941 177.584 -0.389 0.000 1.181 86 A CA 1.802 53.757 52.037 -0.137 0.000 0.627 86 A CB -0.756 18.230 19.000 -0.024 0.000 0.818 86 A HN 0.382 nan 8.150 nan 0.000 0.445 87 A N -1.158 121.268 122.820 -0.657 0.000 1.869 87 A HA -0.260 4.061 4.320 0.000 0.000 0.218 87 A C 2.167 179.182 177.584 -0.948 0.000 1.203 87 A CA 1.519 52.901 52.037 -1.090 0.000 0.638 87 A CB -1.207 17.460 19.000 -0.555 0.000 0.831 87 A HN 0.794 nan 8.150 nan 0.000 0.450 88 W N -1.172 119.773 121.300 -0.592 0.000 2.321 88 W HA -0.233 4.427 4.660 0.000 0.000 0.306 88 W C 2.337 178.575 176.519 -0.469 0.000 1.217 88 W CA 1.909 59.008 57.345 -0.411 0.000 1.257 88 W CB -0.286 29.124 29.460 -0.083 0.000 1.145 88 W HN 0.304 nan 8.180 nan 0.000 0.509 89 M N 0.203 119.694 119.600 -0.182 0.000 2.117 89 M HA -0.159 4.321 4.480 0.000 0.000 0.262 89 M C 1.991 178.116 176.300 -0.293 0.000 1.065 89 M CA 1.931 57.134 55.300 -0.162 0.000 1.114 89 M CB -1.581 30.944 32.600 -0.125 0.000 1.361 89 M HN -0.222 nan 8.290 nan 0.000 0.408 90 T N -0.967 113.294 114.554 -0.489 0.000 2.737 90 T HA -0.223 4.127 4.350 0.000 0.000 0.269 90 T C 1.547 175.966 174.700 -0.469 0.000 1.040 90 T CA 1.772 63.555 62.100 -0.527 0.000 1.142 90 T CB -0.533 67.849 68.868 -0.809 0.000 0.861 90 T HN 0.594 nan 8.240 nan 0.000 0.456 91 W N 1.115 122.172 121.300 -0.405 0.000 2.518 91 W HA 0.209 4.869 4.660 0.000 0.000 0.273 91 W C 2.557 178.653 176.519 -0.704 0.000 1.247 91 W CA -0.286 56.645 57.345 -0.690 0.000 1.288 91 W CB -0.006 28.672 29.460 -1.304 0.000 1.107 91 W HN 0.126 nan 8.180 nan 0.000 0.586 92 K N 0.877 121.048 120.400 -0.381 0.000 1.984 92 K HA -0.165 4.155 4.320 0.000 0.000 0.209 92 K C 2.233 178.778 176.600 -0.092 0.000 1.046 92 K CA 2.345 58.513 56.287 -0.198 0.000 0.934 92 K CB -0.541 31.920 32.500 -0.065 0.000 0.717 92 K HN 0.073 nan 8.250 nan 0.000 0.438 93 T N -0.322 114.184 114.554 -0.080 0.000 2.624 93 T HA -0.225 4.125 4.350 0.000 0.000 0.268 93 T C 2.049 176.723 174.700 -0.043 0.000 1.041 93 T CA 1.516 63.596 62.100 -0.033 0.000 1.159 93 T CB -0.776 68.096 68.868 0.005 0.000 0.863 93 T HN 0.272 nan 8.240 nan 0.000 0.434 94 A N 0.754 123.554 122.820 -0.033 0.000 1.908 94 A HA 0.018 4.338 4.320 0.000 0.000 0.218 94 A C 2.672 180.245 177.584 -0.019 0.000 1.181 94 A CA 1.758 53.791 52.037 -0.008 0.000 0.627 94 A CB -1.231 17.798 19.000 0.048 0.000 0.818 94 A HN 0.475 nan 8.150 nan 0.000 0.445 95 V N -0.843 119.050 119.914 -0.036 0.000 2.667 95 V HA -0.125 3.995 4.120 0.000 0.000 0.252 95 V C 2.107 178.211 176.094 0.017 0.000 1.065 95 V CA 1.884 64.182 62.300 -0.003 0.000 1.083 95 V CB -0.387 31.453 31.823 0.028 0.000 0.692 95 V HN 0.499 nan 8.190 nan 0.000 0.468 96 M N -0.500 119.098 119.600 -0.004 0.000 2.506 96 M HA 0.156 4.636 4.480 0.000 0.000 0.260 96 M C 1.113 177.389 176.300 -0.040 0.000 1.104 96 M CA 0.851 56.146 55.300 -0.008 0.000 1.112 96 M CB -1.068 31.514 32.600 -0.030 0.000 1.401 96 M HN 0.530 nan 8.290 nan 0.000 0.473 97 D N 0.887 121.256 120.400 -0.050 0.000 2.809 97 D HA -0.156 4.484 4.640 0.000 0.000 0.234 97 D C -0.964 175.246 176.300 -0.150 0.000 1.111 97 D CA 0.300 54.262 54.000 -0.065 0.000 0.726 97 D CB -1.203 39.581 40.800 -0.028 0.000 1.089 97 D HN 0.290 nan 8.370 nan 0.000 0.436 98 L N -0.183 120.911 121.223 -0.215 0.000 2.375 98 L HA 0.542 4.882 4.340 0.000 0.000 0.268 98 L C -1.268 175.394 176.870 -0.346 0.000 1.058 98 L CA -1.933 52.641 54.840 -0.443 0.000 0.803 98 L CB 0.863 42.559 42.059 -0.605 0.000 1.212 98 L HN -0.131 nan 8.230 nan 0.000 0.451 99 P HA 0.079 nan 4.420 nan 0.000 0.249 99 P C -1.310 175.884 177.300 -0.175 0.000 1.686 99 P CA 0.427 63.375 63.100 -0.253 0.000 0.873 99 P CB -0.324 31.289 31.700 -0.145 0.000 1.828 100 Y N -0.790 119.445 120.300 -0.109 0.000 2.609 100 Y HA 0.631 5.181 4.550 0.000 0.000 0.342 100 Y C 1.099 176.981 175.900 -0.030 0.000 1.058 100 Y CA -1.219 56.821 58.100 -0.100 0.000 1.055 100 Y CB 1.051 39.405 38.460 -0.177 0.000 1.292 100 Y HN -0.034 nan 8.280 nan 0.000 0.476 101 G N -0.623 108.286 108.800 0.181 0.000 2.671 101 G HA2 0.572 4.532 3.960 0.000 0.000 0.275 101 G HA3 0.572 4.532 3.960 0.000 0.000 0.275 101 G C -0.667 174.256 174.900 0.038 0.000 1.368 101 G CA -0.583 44.603 45.100 0.144 0.000 1.044 101 G HN 0.832 nan 8.290 nan 0.000 0.543 102 G N -1.858 106.954 108.800 0.021 0.000 2.495 102 G HA2 0.694 4.654 3.960 0.000 0.000 0.318 102 G HA3 0.694 4.654 3.960 0.000 0.000 0.318 102 G C -0.454 174.455 174.900 0.014 0.000 1.257 102 G CA 0.111 45.177 45.100 -0.058 0.000 0.962 102 G HN 1.111 nan 8.290 nan 0.000 0.483 103 G N -0.303 108.487 108.800 -0.017 0.000 2.682 103 G HA2 0.711 4.671 3.960 0.000 0.000 0.290 103 G HA3 0.711 4.671 3.960 0.000 0.000 0.290 103 G C -1.632 173.271 174.900 0.005 0.000 1.425 103 G CA -0.743 44.375 45.100 0.029 0.000 0.807 103 G HN 0.740 nan 8.290 nan 0.000 0.482 104 K N -1.623 118.802 120.400 0.042 0.000 2.625 104 K HA 0.668 4.988 4.320 0.000 0.000 0.284 104 K C -0.625 176.041 176.600 0.110 0.000 0.984 104 K CA 0.083 56.397 56.287 0.045 0.000 0.865 104 K CB 1.837 34.349 32.500 0.019 0.000 1.468 104 K HN 1.341 nan 8.250 nan 0.000 0.407 105 G N -0.268 108.616 108.800 0.140 0.000 2.690 105 G HA2 0.736 4.696 3.960 0.000 0.000 0.291 105 G HA3 0.736 4.696 3.960 0.000 0.000 0.291 105 G C -1.201 173.840 174.900 0.234 0.000 1.403 105 G CA -0.427 44.828 45.100 0.258 0.000 0.864 105 G HN 0.762 nan 8.290 nan 0.000 0.480 106 G N -1.552 107.454 108.800 0.344 0.000 2.698 106 G HA2 0.661 4.621 3.960 0.000 0.000 0.293 106 G HA3 0.661 4.621 3.960 0.000 0.000 0.293 106 G C -1.911 173.163 174.900 0.290 0.000 1.437 106 G CA -0.435 44.863 45.100 0.329 0.000 0.852 106 G HN 1.103 nan 8.290 nan 0.000 0.499 107 V N 0.995 121.043 119.914 0.223 0.000 2.709 107 V HA 0.468 4.588 4.120 0.000 0.000 0.308 107 V C -0.377 175.746 176.094 0.049 0.000 1.062 107 V CA -0.640 61.668 62.300 0.013 0.000 0.901 107 V CB 1.923 33.608 31.823 -0.230 0.000 1.003 107 V HN 0.679 nan 8.190 nan 0.000 0.425 108 I N 5.298 125.902 120.570 0.056 0.000 2.301 108 I HA 0.560 4.730 4.170 0.000 0.000 0.292 108 I C -0.008 176.181 176.117 0.121 0.000 1.046 108 I CA 0.159 61.534 61.300 0.124 0.000 1.282 108 I CB 0.458 38.538 38.000 0.133 0.000 1.409 108 I HN 0.892 nan 8.210 nan 0.000 0.484 109 C N 2.974 122.323 119.300 0.082 0.000 3.275 109 C HA 0.428 4.888 4.460 0.000 0.000 0.345 109 C C -0.936 174.053 174.990 -0.003 0.000 1.257 109 C CA -1.118 57.951 59.018 0.086 0.000 1.203 109 C CB 1.523 29.179 27.740 -0.140 0.000 1.492 109 C HN 0.662 nan 8.230 nan 0.000 0.484 110 N N 2.501 121.196 118.700 -0.009 0.000 2.801 110 N HA 0.434 5.174 4.740 0.000 0.000 0.235 110 N C -1.119 174.321 175.510 -0.117 0.000 1.069 110 N CA -2.303 50.701 53.050 -0.077 0.000 0.946 110 N CB 0.975 39.427 38.487 -0.059 0.000 1.212 110 N HN 0.653 nan 8.380 nan 0.000 0.509 111 P HA -0.134 nan 4.420 nan 0.000 0.226 111 P C 0.405 177.618 177.300 -0.144 0.000 1.146 111 P CA 1.056 64.088 63.100 -0.113 0.000 0.773 111 P CB 0.455 32.154 31.700 -0.001 0.000 0.772 112 K N -0.002 120.277 120.400 -0.202 0.000 2.365 112 K HA 0.014 4.334 4.320 0.000 0.000 0.197 112 K C 1.245 177.793 176.600 -0.087 0.000 1.042 112 K CA 0.651 56.841 56.287 -0.162 0.000 0.987 112 K CB 0.162 32.547 32.500 -0.192 0.000 0.779 112 K HN 0.343 nan 8.250 nan 0.000 0.484 113 E N 0.627 120.784 120.200 -0.071 0.000 2.451 113 E HA 0.143 4.493 4.350 0.000 0.000 0.194 113 E C -0.116 176.469 176.600 -0.026 0.000 1.027 113 E CA -0.035 56.342 56.400 -0.039 0.000 0.914 113 E CB 0.292 29.975 29.700 -0.028 0.000 1.054 113 E HN 0.211 nan 8.360 nan 0.000 0.461 114 M N 0.586 120.166 119.600 -0.033 0.000 2.598 114 M HA 0.322 4.802 4.480 0.000 0.000 0.317 114 M C 0.124 176.424 176.300 -0.001 0.000 1.179 114 M CA -0.980 54.306 55.300 -0.023 0.000 0.936 114 M CB 1.946 34.510 32.600 -0.059 0.000 1.713 114 M HN -0.161 nan 8.290 nan 0.000 0.460 115 S N -0.680 115.021 115.700 0.002 0.000 2.632 115 S HA 0.220 4.690 4.470 0.000 0.000 0.267 115 S C 0.278 174.906 174.600 0.046 0.000 1.276 115 S CA -0.699 57.512 58.200 0.018 0.000 0.998 115 S CB 0.975 64.177 63.200 0.004 0.000 0.953 115 S HN 0.685 nan 8.310 nan 0.000 0.547 116 D N 0.665 121.112 120.400 0.079 0.000 2.158 116 D HA -0.106 4.534 4.640 0.000 0.000 0.197 116 D C 1.898 178.224 176.300 0.043 0.000 0.995 116 D CA 1.236 55.333 54.000 0.162 0.000 0.846 116 D CB -0.183 40.728 40.800 0.185 0.000 0.941 116 D HN 0.553 nan 8.370 nan 0.000 0.456 117 R N 0.399 120.878 120.500 -0.035 0.000 2.148 117 R HA 0.016 4.357 4.340 0.000 0.000 0.223 117 R C 1.905 178.121 176.300 -0.141 0.000 1.088 117 R CA 0.785 56.805 56.100 -0.133 0.000 0.985 117 R CB 0.150 30.396 30.300 -0.089 0.000 0.880 117 R HN 0.201 nan 8.270 nan 0.000 0.451 118 E N -0.753 119.400 120.200 -0.078 0.000 2.170 118 E HA -0.073 4.277 4.350 0.000 0.000 0.191 118 E C 1.562 178.097 176.600 -0.107 0.000 0.981 118 E CA 0.726 57.073 56.400 -0.089 0.000 0.830 118 E CB 0.237 29.899 29.700 -0.062 0.000 0.775 118 E HN 0.134 nan 8.360 nan 0.000 0.470 119 K N 0.945 121.340 120.400 -0.009 0.000 2.097 119 K HA -0.172 4.148 4.320 0.000 0.000 0.205 119 K C 2.094 178.832 176.600 0.230 0.000 1.050 119 K CA 1.373 57.764 56.287 0.173 0.000 0.938 119 K CB 0.094 32.827 32.500 0.388 0.000 0.718 119 K HN 0.100 nan 8.250 nan 0.000 0.442 120 E N 0.673 120.773 120.200 -0.167 0.000 2.216 120 E HA -0.139 4.211 4.350 0.000 0.000 0.192 120 E C 1.660 178.089 176.600 -0.285 0.000 0.988 120 E CA 0.609 56.644 56.400 -0.609 0.000 0.834 120 E CB 0.165 28.593 29.700 -2.120 0.000 0.772 120 E HN 0.145 nan 8.360 nan 0.000 0.479 121 R N 0.145 120.519 120.500 -0.211 0.000 2.148 121 R HA -0.054 4.286 4.340 0.000 0.000 0.223 121 R C 2.394 178.659 176.300 -0.058 0.000 1.088 121 R CA 0.794 56.817 56.100 -0.129 0.000 0.985 121 R CB -0.244 29.988 30.300 -0.112 0.000 0.880 121 R HN 0.262 nan 8.270 nan 0.000 0.451 122 L N 0.613 121.796 121.223 -0.066 0.000 2.095 122 L HA 0.055 4.395 4.340 0.000 0.000 0.204 122 L C 2.269 179.234 176.870 0.158 0.000 1.080 122 L CA 1.646 56.425 54.840 -0.101 0.000 0.759 122 L CB -0.535 41.249 42.059 -0.458 0.000 0.914 122 L HN 0.041 nan 8.230 nan 0.000 0.439 123 A N -0.061 122.974 122.820 0.358 0.000 1.908 123 A HA -0.228 4.092 4.320 0.000 0.000 0.218 123 A C 2.397 180.170 177.584 0.316 0.000 1.181 123 A CA 1.900 54.195 52.037 0.429 0.000 0.627 123 A CB -0.581 18.702 19.000 0.471 0.000 0.818 123 A HN 0.521 nan 8.150 nan 0.000 0.445 124 R N -0.996 119.625 120.500 0.203 0.000 2.081 124 R HA -0.097 4.243 4.340 0.000 0.000 0.235 124 R C 2.370 178.759 176.300 0.148 0.000 1.131 124 R CA 1.167 57.357 56.100 0.149 0.000 0.960 124 R CB -0.620 29.712 30.300 0.053 0.000 0.856 124 R HN 0.528 nan 8.270 nan 0.000 0.436 125 G N 0.071 108.950 108.800 0.131 0.000 2.422 125 G HA2 -0.299 3.661 3.960 0.000 0.000 0.218 125 G HA3 -0.299 3.661 3.960 0.000 0.000 0.218 125 G C 1.124 176.132 174.900 0.180 0.000 1.140 125 G CA 0.310 45.480 45.100 0.118 0.000 0.775 125 G HN 0.250 nan 8.290 nan 0.000 0.545 126 Y N 1.501 121.861 120.300 0.101 0.000 2.014 126 Y HA -0.212 4.338 4.550 0.000 0.000 0.270 126 Y C 2.926 178.905 175.900 0.132 0.000 1.145 126 Y CA 1.740 59.913 58.100 0.121 0.000 1.106 126 Y CB -0.733 37.837 38.460 0.184 0.000 0.968 126 Y HN 0.030 nan 8.280 nan 0.000 0.484 127 V N 0.968 121.037 119.914 0.258 0.000 2.250 127 V HA -0.408 3.712 4.120 0.000 0.000 0.250 127 V C 2.384 178.567 176.094 0.148 0.000 1.060 127 V CA 2.605 65.017 62.300 0.186 0.000 1.030 127 V CB -0.725 31.260 31.823 0.270 0.000 0.643 127 V HN 0.394 nan 8.190 nan 0.000 0.445 128 R N -0.044 120.526 120.500 0.117 0.000 2.249 128 R HA -0.097 4.243 4.340 0.000 0.000 0.230 128 R C 2.166 178.504 176.300 0.063 0.000 1.121 128 R CA 1.282 57.422 56.100 0.066 0.000 0.997 128 R CB -0.419 29.901 30.300 0.035 0.000 0.867 128 R HN 0.594 nan 8.270 nan 0.000 0.465 129 A N 1.099 123.941 122.820 0.037 0.000 1.956 129 A HA 0.058 4.378 4.320 0.000 0.000 0.212 129 A C 1.861 179.430 177.584 -0.025 0.000 1.188 129 A CA 0.443 52.482 52.037 0.003 0.000 0.675 129 A CB 0.018 19.014 19.000 -0.008 0.000 0.845 129 A HN 0.384 nan 8.150 nan 0.000 0.455 130 I N -4.487 116.028 120.570 -0.092 0.000 3.927 130 I HA 0.309 4.479 4.170 0.000 0.000 0.332 130 I C 1.604 177.714 176.117 -0.012 0.000 1.485 130 I CA -0.265 60.971 61.300 -0.107 0.000 1.131 130 I CB -0.145 37.682 38.000 -0.289 0.000 1.092 130 I HN 0.170 nan 8.210 nan 0.000 0.410 131 Y N 2.882 123.170 120.300 -0.019 0.000 2.102 131 Y HA -0.321 4.229 4.550 0.000 0.000 0.280 131 Y C 2.018 177.954 175.900 0.061 0.000 1.178 131 Y CA 2.047 60.183 58.100 0.060 0.000 1.146 131 Y CB -0.315 38.170 38.460 0.041 0.000 0.968 131 Y HN 0.312 nan 8.280 nan 0.000 0.504 132 D N -0.364 120.009 120.400 -0.044 0.000 2.271 132 D HA -0.141 4.499 4.640 0.000 0.000 0.207 132 D C 1.653 177.853 176.300 -0.167 0.000 0.983 132 D CA 1.826 55.760 54.000 -0.110 0.000 0.878 132 D CB -0.184 40.628 40.800 0.020 0.000 0.920 132 D HN 0.461 nan 8.370 nan 0.000 0.479 133 V N -1.396 118.428 119.914 -0.150 0.000 3.159 133 V HA 0.294 4.414 4.120 0.000 0.000 0.333 133 V C 0.246 176.253 176.094 -0.146 0.000 1.424 133 V CA -0.588 61.632 62.300 -0.135 0.000 1.125 133 V CB -0.618 31.156 31.823 -0.082 0.000 1.075 133 V HN 0.004 nan 8.190 nan 0.000 0.482 134 I N -1.015 119.451 120.570 -0.172 0.000 2.646 134 I HA 1.002 5.172 4.170 0.000 0.000 0.299 134 I C -0.328 175.706 176.117 -0.138 0.000 1.036 134 I CA -0.529 60.684 61.300 -0.144 0.000 1.074 134 I CB 2.035 39.965 38.000 -0.116 0.000 1.258 134 I HN 0.170 nan 8.210 nan 0.000 0.430 135 S N 3.360 118.970 115.700 -0.150 0.000 2.643 135 S HA 0.556 5.026 4.470 0.000 0.000 0.266 135 S C -2.709 171.801 174.600 -0.151 0.000 1.130 135 S CA -0.747 57.389 58.200 -0.107 0.000 0.817 135 S CB 1.442 64.672 63.200 0.050 0.000 1.107 135 S HN 0.483 nan 8.310 nan 0.000 0.471 136 P HA 0.241 nan 4.420 nan 0.000 0.245 136 P C 0.056 177.268 177.300 -0.147 0.000 1.206 136 P CA 0.611 63.610 63.100 -0.168 0.000 0.781 136 P CB -0.212 31.282 31.700 -0.344 0.000 0.994 137 Y N -1.873 118.538 120.300 0.186 0.000 2.444 137 Y HA 0.161 4.711 4.550 0.000 0.000 0.252 137 Y C 2.070 178.007 175.900 0.062 0.000 1.091 137 Y CA 0.653 58.865 58.100 0.188 0.000 1.276 137 Y CB -0.690 37.853 38.460 0.139 0.000 1.170 137 Y HN -0.124 nan 8.280 nan 0.000 0.517 138 T N -1.406 113.197 114.554 0.082 0.000 2.988 138 T HA 0.074 4.424 4.350 0.000 0.000 0.240 138 T C -0.257 174.371 174.700 -0.121 0.000 1.014 138 T CA 0.970 63.031 62.100 -0.065 0.000 1.155 138 T CB 0.190 68.990 68.868 -0.113 0.000 0.872 138 T HN 0.003 nan 8.240 nan 0.000 0.440 139 D N -0.065 120.260 120.400 -0.126 0.000 2.688 139 D HA 0.319 4.959 4.640 0.000 0.000 0.210 139 D C -1.920 174.279 176.300 -0.169 0.000 1.333 139 D CA -0.450 53.464 54.000 -0.144 0.000 0.920 139 D CB 0.636 41.372 40.800 -0.107 0.000 1.554 139 D HN 0.077 nan 8.370 nan 0.000 0.579 140 I N 5.231 125.660 120.570 -0.235 0.000 2.354 140 I HA 0.421 4.591 4.170 0.000 0.000 0.286 140 I C -2.055 173.946 176.117 -0.193 0.000 1.007 140 I CA -1.720 59.443 61.300 -0.228 0.000 1.167 140 I CB 1.768 39.563 38.000 -0.341 0.000 1.320 140 I HN 0.163 nan 8.210 nan 0.000 0.458 141 P HA 0.654 nan 4.420 nan 0.000 0.307 141 P C -0.826 176.422 177.300 -0.087 0.000 1.306 141 P CA -0.458 62.600 63.100 -0.069 0.000 0.742 141 P CB 0.838 32.543 31.700 0.008 0.000 1.349 142 A N -1.867 120.906 122.820 -0.079 0.000 2.490 142 A HA 0.606 4.926 4.320 0.000 0.000 0.292 142 A C -3.047 174.466 177.584 -0.119 0.000 1.047 142 A CA -0.927 51.053 52.037 -0.095 0.000 0.632 142 A CB 0.302 19.248 19.000 -0.090 0.000 1.323 142 A HN 0.271 nan 8.150 nan 0.000 0.448 143 P HA 0.535 nan 4.420 nan 0.000 0.286 143 P C -0.837 176.385 177.300 -0.129 0.000 1.261 143 P CA 0.260 63.261 63.100 -0.165 0.000 0.821 143 P CB 1.556 33.162 31.700 -0.158 0.000 1.013 144 D N 0.552 120.867 120.400 -0.141 0.000 3.816 144 D HA 0.147 4.787 4.640 0.000 0.000 0.272 144 D C -0.595 175.640 176.300 -0.109 0.000 1.509 144 D CA -0.442 53.497 54.000 -0.103 0.000 1.003 144 D CB 1.083 41.837 40.800 -0.076 0.000 1.333 144 D HN -0.059 nan 8.370 nan 0.000 0.648 145 V N 2.733 122.587 119.914 -0.101 0.000 2.434 145 V HA -0.055 4.066 4.120 0.000 0.000 0.281 145 V C -0.209 175.866 176.094 -0.032 0.000 1.005 145 V CA 0.776 62.972 62.300 -0.175 0.000 1.089 145 V CB -1.101 30.610 31.823 -0.187 0.000 0.978 145 V HN 0.549 nan 8.190 nan 0.000 0.474 146 Y N 2.188 122.508 120.300 0.034 0.000 4.786 146 Y HA -0.200 4.350 4.550 0.000 0.000 0.243 146 Y C 0.898 176.742 175.900 -0.093 0.000 1.027 146 Y CA 0.735 58.865 58.100 0.049 0.000 2.052 146 Y CB -2.436 36.134 38.460 0.183 0.000 1.578 146 Y HN 0.838 nan 8.280 nan 0.000 0.655 147 T N -1.068 113.414 114.554 -0.120 0.000 2.930 147 T HA 0.835 5.185 4.350 0.000 0.000 0.290 147 T C -0.083 174.473 174.700 -0.239 0.000 1.052 147 T CA -0.053 61.815 62.100 -0.388 0.000 1.017 147 T CB 3.420 71.905 68.868 -0.638 0.000 1.137 147 T HN 0.425 nan 8.240 nan 0.000 0.511 148 N N -0.967 117.566 118.700 -0.277 0.000 3.339 148 N HA 0.407 5.147 4.740 0.000 0.000 0.275 148 N C -2.905 172.457 175.510 -0.247 0.000 1.514 148 N CA -1.642 51.285 53.050 -0.205 0.000 0.879 148 N CB 0.109 38.500 38.487 -0.160 0.000 1.557 148 N HN 0.260 nan 8.380 nan 0.000 0.524 149 P HA -0.230 nan 4.420 nan 0.000 0.216 149 P C 1.307 178.406 177.300 -0.335 0.000 1.157 149 P CA 2.194 65.156 63.100 -0.229 0.000 0.880 149 P CB 0.215 31.809 31.700 -0.176 0.000 0.791 150 Q N -0.287 119.264 119.800 -0.415 0.000 2.096 150 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 150 Q C 1.981 177.365 176.000 -1.027 0.000 0.982 150 Q CA 1.731 57.107 55.803 -0.712 0.000 0.850 150 Q CB -1.237 27.056 28.738 -0.742 0.000 0.901 150 Q HN 0.229 nan 8.270 nan 0.000 0.422 151 I N -0.584 119.568 120.570 -0.697 0.000 2.252 151 I HA -0.256 3.914 4.170 0.000 0.000 0.245 151 I C 1.979 177.935 176.117 -0.268 0.000 1.102 151 I CA 0.789 61.801 61.300 -0.480 0.000 1.385 151 I CB -0.238 37.485 38.000 -0.461 0.000 1.064 151 I HN 0.272 nan 8.210 nan 0.000 0.414 152 M N 0.391 119.828 119.600 -0.272 0.000 2.080 152 M HA -0.195 4.286 4.480 0.000 0.000 0.260 152 M C 2.665 178.895 176.300 -0.117 0.000 1.068 152 M CA 2.042 57.245 55.300 -0.162 0.000 1.109 152 M CB -1.530 30.971 32.600 -0.165 0.000 1.342 152 M HN 0.290 nan 8.290 nan 0.000 0.405 153 A N -0.114 122.580 122.820 -0.210 0.000 1.917 153 A HA -0.201 4.119 4.320 0.000 0.000 0.219 153 A C 1.938 179.539 177.584 0.029 0.000 1.182 153 A CA 1.562 53.508 52.037 -0.151 0.000 0.633 153 A CB -1.085 17.772 19.000 -0.239 0.000 0.819 153 A HN 0.606 nan 8.150 nan 0.000 0.448 154 W N -0.726 120.567 121.300 -0.010 0.000 2.363 154 W HA -0.039 4.621 4.660 0.000 0.000 0.296 154 W C 2.402 178.953 176.519 0.054 0.000 1.212 154 W CA 0.986 58.344 57.345 0.022 0.000 1.260 154 W CB -0.966 28.510 29.460 0.027 0.000 1.131 154 W HN 0.329 nan 8.180 nan 0.000 0.530 155 M N -0.847 118.904 119.600 0.252 0.000 2.098 155 M HA -0.197 4.283 4.480 0.000 0.000 0.262 155 M C 2.361 178.783 176.300 0.203 0.000 1.072 155 M CA 1.349 56.780 55.300 0.218 0.000 1.133 155 M CB -0.725 31.974 32.600 0.164 0.000 1.344 155 M HN -0.225 nan 8.290 nan 0.000 0.414 156 M N 0.517 120.198 119.600 0.134 0.000 2.149 156 M HA -0.256 4.224 4.480 0.000 0.000 0.261 156 M C 1.304 177.738 176.300 0.223 0.000 1.064 156 M CA 2.187 57.573 55.300 0.144 0.000 1.102 156 M CB -0.921 31.711 32.600 0.054 0.000 1.369 156 M HN 0.242 nan 8.290 nan 0.000 0.408 157 D N -0.191 120.325 120.400 0.193 0.000 2.084 157 D HA -0.242 4.398 4.640 0.000 0.000 0.194 157 D C 1.839 178.250 176.300 0.185 0.000 0.990 157 D CA 1.872 55.987 54.000 0.193 0.000 0.826 157 D CB -0.072 40.841 40.800 0.189 0.000 0.971 157 D HN 0.468 nan 8.370 nan 0.000 0.453 158 E N -1.245 119.067 120.200 0.188 0.000 2.153 158 E HA -0.216 4.134 4.350 0.000 0.000 0.194 158 E C 1.806 178.488 176.600 0.137 0.000 0.988 158 E CA 0.885 57.367 56.400 0.136 0.000 0.811 158 E CB -0.490 29.289 29.700 0.132 0.000 0.746 158 E HN 0.560 nan 8.360 nan 0.000 0.466 159 Y N 1.193 121.562 120.300 0.116 0.000 2.145 159 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 159 Y C 1.914 177.885 175.900 0.119 0.000 1.145 159 Y CA 2.108 60.300 58.100 0.154 0.000 1.148 159 Y CB -0.034 38.550 38.460 0.206 0.000 0.981 159 Y HN 0.069 nan 8.280 nan 0.000 0.507 160 E N -0.837 119.498 120.200 0.225 0.000 2.160 160 E HA -0.203 4.147 4.350 0.000 0.000 0.195 160 E C 1.956 178.548 176.600 -0.014 0.000 0.991 160 E CA 1.776 58.248 56.400 0.120 0.000 0.810 160 E CB -0.189 29.623 29.700 0.187 0.000 0.742 160 E HN 0.488 nan 8.360 nan 0.000 0.466 161 T N 0.916 115.458 114.554 -0.021 0.000 2.951 161 T HA -0.014 4.337 4.350 0.000 0.000 0.268 161 T C 1.866 176.478 174.700 -0.147 0.000 1.073 161 T CA 0.580 62.646 62.100 -0.056 0.000 1.134 161 T CB 0.109 68.960 68.868 -0.028 0.000 0.884 161 T HN 0.141 nan 8.240 nan 0.000 0.479 162 I N 1.056 121.469 120.570 -0.262 0.000 2.731 162 I HA -0.010 4.161 4.170 0.000 0.000 0.260 162 I C 2.735 178.595 176.117 -0.428 0.000 1.138 162 I CA 0.838 61.868 61.300 -0.450 0.000 1.461 162 I CB -0.573 36.937 38.000 -0.816 0.000 1.128 162 I HN 0.288 nan 8.210 nan 0.000 0.438 163 S N 1.056 116.504 115.700 -0.419 0.000 2.423 163 S HA -0.163 4.308 4.470 0.000 0.000 0.231 163 S C 1.186 175.723 174.600 -0.105 0.000 1.014 163 S CA 0.460 58.505 58.200 -0.257 0.000 0.965 163 S CB 0.038 63.012 63.200 -0.376 0.000 0.785 163 S HN 0.381 nan 8.310 nan 0.000 0.495 164 R N 0.096 120.539 120.500 -0.096 0.000 3.774 164 R HA -0.106 4.234 4.340 0.000 0.000 0.320 164 R C 0.352 176.647 176.300 -0.009 0.000 1.175 164 R CA 0.934 57.008 56.100 -0.044 0.000 0.849 164 R CB -2.851 27.426 30.300 -0.039 0.000 1.365 164 R HN 0.721 nan 8.270 nan 0.000 0.502 165 R N -0.781 119.723 120.500 0.008 0.000 3.847 165 R HA -0.244 4.097 4.340 0.000 0.000 0.304 165 R C 0.642 176.962 176.300 0.033 0.000 1.203 165 R CA 1.765 57.884 56.100 0.032 0.000 0.835 165 R CB -0.995 29.317 30.300 0.020 0.000 1.253 165 R HN 0.441 nan 8.270 nan 0.000 0.516 166 K N 0.773 121.198 120.400 0.043 0.000 2.487 166 K HA -0.033 4.287 4.320 0.000 0.000 0.192 166 K C 0.342 176.992 176.600 0.084 0.000 1.027 166 K CA 0.911 57.229 56.287 0.052 0.000 1.054 166 K CB 0.145 32.673 32.500 0.046 0.000 0.824 166 K HN 0.382 nan 8.250 nan 0.000 0.510 167 D N -1.353 119.113 120.400 0.109 0.000 2.626 167 D HA 0.156 4.796 4.640 0.000 0.000 0.278 167 D C -2.929 173.430 176.300 0.098 0.000 1.211 167 D CA -2.275 51.810 54.000 0.143 0.000 0.903 167 D CB 0.688 41.617 40.800 0.216 0.000 1.408 167 D HN -0.338 nan 8.370 nan 0.000 0.454 168 P HA 0.205 nan 4.420 nan 0.000 0.244 168 P C 0.675 177.995 177.300 0.035 0.000 1.723 168 P CA 0.003 63.094 63.100 -0.014 0.000 1.110 168 P CB 0.077 31.733 31.700 -0.074 0.000 1.972 169 S N 1.193 116.963 115.700 0.117 0.000 2.390 169 S HA -0.230 4.240 4.470 0.000 0.000 0.234 169 S C 1.363 176.145 174.600 0.302 0.000 1.063 169 S CA 1.414 59.770 58.200 0.260 0.000 1.108 169 S CB -0.901 62.477 63.200 0.296 0.000 0.975 169 S HN 0.296 nan 8.310 nan 0.000 0.442 170 F N 1.374 121.359 119.950 0.057 0.000 2.323 170 F HA -0.045 4.482 4.527 0.000 0.000 0.301 170 F C 2.329 178.137 175.800 0.014 0.000 1.060 170 F CA 0.598 58.623 58.000 0.041 0.000 1.398 170 F CB -1.306 37.731 39.000 0.061 0.000 1.075 170 F HN 0.318 nan 8.300 nan 0.000 0.540 171 G N -1.502 107.399 108.800 0.167 0.000 3.088 171 G HA2 0.098 4.058 3.960 0.000 0.000 0.217 171 G HA3 0.098 4.058 3.960 0.000 0.000 0.217 171 G C 1.571 176.527 174.900 0.093 0.000 1.159 171 G CA 0.473 45.639 45.100 0.110 0.000 0.760 171 G HN 0.280 nan 8.290 nan 0.000 0.550 172 V N -0.042 119.842 119.914 -0.051 0.000 3.041 172 V HA 0.429 4.549 4.120 0.000 0.000 0.260 172 V C 0.599 176.599 176.094 -0.155 0.000 1.105 172 V CA 0.937 63.104 62.300 -0.222 0.000 1.125 172 V CB -0.185 31.265 31.823 -0.621 0.000 0.730 172 V HN 0.263 nan 8.190 nan 0.000 0.479 173 I N -0.586 119.942 120.570 -0.069 0.000 2.841 173 I HA 0.392 4.562 4.170 0.000 0.000 0.298 173 I C -0.075 176.026 176.117 -0.028 0.000 1.304 173 I CA -0.144 61.120 61.300 -0.061 0.000 1.019 173 I CB 2.436 40.402 38.000 -0.057 0.000 1.282 173 I HN 0.201 nan 8.210 nan 0.000 0.432 174 T N 1.236 115.765 114.554 -0.041 0.000 2.922 174 T HA 0.661 5.011 4.350 0.000 0.000 0.281 174 T C 0.730 175.395 174.700 -0.059 0.000 1.005 174 T CA 0.012 62.096 62.100 -0.027 0.000 0.982 174 T CB 1.473 70.344 68.868 0.006 0.000 1.158 174 T HN 1.412 nan 8.240 nan 0.000 0.566 175 G N 0.568 109.337 108.800 -0.053 0.000 2.176 175 G HA2 -0.212 3.748 3.960 0.000 0.000 0.252 175 G HA3 -0.212 3.748 3.960 0.000 0.000 0.252 175 G C -0.059 174.779 174.900 -0.103 0.000 1.024 175 G CA 0.324 45.379 45.100 -0.075 0.000 0.755 175 G HN 0.877 nan 8.290 nan 0.000 0.507 176 K N 0.557 120.896 120.400 -0.102 0.000 2.168 176 K HA 0.418 4.738 4.320 0.000 0.000 0.258 176 K C -2.146 174.369 176.600 -0.142 0.000 1.010 176 K CA -1.536 54.666 56.287 -0.142 0.000 0.929 176 K CB 0.793 33.194 32.500 -0.165 0.000 0.998 176 K HN 0.071 nan 8.250 nan 0.000 0.479 177 P HA 0.110 nan 4.420 nan 0.000 0.278 177 P C -2.306 174.901 177.300 -0.154 0.000 1.238 177 P CA -1.687 61.324 63.100 -0.149 0.000 0.794 177 P CB 0.346 31.949 31.700 -0.161 0.000 0.955 178 P HA -0.158 nan 4.420 nan 0.000 0.221 178 P C 1.413 178.618 177.300 -0.158 0.000 1.145 178 P CA 1.484 64.506 63.100 -0.130 0.000 0.795 178 P CB -0.326 31.317 31.700 -0.094 0.000 0.775 179 S N -0.749 114.865 115.700 -0.143 0.000 2.595 179 S HA -0.010 4.460 4.470 0.000 0.000 0.235 179 S C 0.894 175.383 174.600 -0.185 0.000 0.974 179 S CA 0.782 58.903 58.200 -0.132 0.000 0.942 179 S CB -1.124 62.020 63.200 -0.093 0.000 0.766 179 S HN 0.098 nan 8.310 nan 0.000 0.536 180 V N -4.152 115.588 119.914 -0.291 0.000 3.076 180 V HA 0.801 4.921 4.120 0.000 0.000 0.374 180 V C 0.707 176.344 176.094 -0.763 0.000 1.303 180 V CA -0.388 61.568 62.300 -0.573 0.000 1.602 180 V CB -0.334 31.121 31.823 -0.613 0.000 1.167 180 V HN 0.554 nan 8.190 nan 0.000 0.596 181 G N 0.126 108.690 108.800 -0.393 0.000 2.259 181 G HA2 -0.061 3.899 3.960 0.000 0.000 0.217 181 G HA3 -0.061 3.899 3.960 0.000 0.000 0.217 181 G C 0.779 175.669 174.900 -0.016 0.000 1.001 181 G CA 0.041 45.081 45.100 -0.100 0.000 0.627 181 G HN 1.757 nan 8.290 nan 0.000 0.501 182 G N 0.219 108.945 108.800 -0.124 0.000 2.634 182 G HA2 0.679 4.639 3.960 0.000 0.000 0.255 182 G HA3 0.679 4.639 3.960 0.000 0.000 0.255 182 G C 0.189 175.060 174.900 -0.049 0.000 1.205 182 G CA 0.245 45.298 45.100 -0.078 0.000 0.884 182 G HN 1.449 nan 8.290 nan 0.000 0.549 183 I N -2.412 118.141 120.570 -0.028 0.000 3.239 183 I HA 0.762 4.932 4.170 0.000 0.000 0.314 183 I C -0.343 175.766 176.117 -0.015 0.000 1.126 183 I CA -1.402 59.891 61.300 -0.012 0.000 0.973 183 I CB 2.011 40.013 38.000 0.004 0.000 1.252 183 I HN 0.362 nan 8.210 nan 0.000 0.463 184 V N 0.423 120.337 119.914 -0.001 0.000 2.994 184 V HA 0.923 5.043 4.120 0.000 0.000 0.318 184 V C 0.764 176.867 176.094 0.014 0.000 1.085 184 V CA 0.059 62.358 62.300 -0.002 0.000 0.998 184 V CB 0.559 32.383 31.823 0.002 0.000 1.063 184 V HN 1.538 nan 8.190 nan 0.000 0.447 185 A N 1.017 123.836 122.820 -0.002 0.000 3.471 185 A HA -0.173 4.147 4.320 0.000 0.000 0.215 185 A C 1.772 179.347 177.584 -0.014 0.000 0.771 185 A CA 1.006 53.050 52.037 0.011 0.000 1.954 185 A CB -1.723 17.322 19.000 0.075 0.000 0.794 185 A HN 0.890 nan 8.150 nan 0.000 0.652 186 R N 0.110 120.603 120.500 -0.011 0.000 2.159 186 R HA -0.013 4.327 4.340 0.000 0.000 0.237 186 R C 2.123 178.378 176.300 -0.076 0.000 1.131 186 R CA 1.872 57.956 56.100 -0.027 0.000 0.982 186 R CB -0.333 29.953 30.300 -0.023 0.000 0.868 186 R HN 0.733 nan 8.270 nan 0.000 0.453 187 M N 0.930 120.469 119.600 -0.102 0.000 2.159 187 M HA -0.160 4.320 4.480 0.000 0.000 0.263 187 M C 0.544 176.620 176.300 -0.373 0.000 1.063 187 M CA 2.024 57.234 55.300 -0.150 0.000 1.110 187 M CB 0.023 32.571 32.600 -0.087 0.000 1.374 187 M HN 0.175 nan 8.290 nan 0.000 0.411 188 D N -1.227 118.876 120.400 -0.495 0.000 2.501 188 D HA 0.208 4.848 4.640 0.000 0.000 0.224 188 D C 1.201 177.296 176.300 -0.342 0.000 1.202 188 D CA 0.429 53.982 54.000 -0.744 0.000 0.829 188 D CB -0.408 39.818 40.800 -0.958 0.000 1.023 188 D HN 0.128 nan 8.370 nan 0.000 0.499 189 A N 0.842 123.545 122.820 -0.194 0.000 1.896 189 A HA -0.280 4.040 4.320 0.000 0.000 0.220 189 A C 2.217 179.753 177.584 -0.079 0.000 1.206 189 A CA 2.556 54.541 52.037 -0.088 0.000 0.647 189 A CB -1.279 17.697 19.000 -0.041 0.000 0.828 189 A HN 0.308 nan 8.150 nan 0.000 0.455 190 T N -0.154 114.351 114.554 -0.081 0.000 2.614 190 T HA -0.024 4.326 4.350 0.000 0.000 0.263 190 T C 2.278 176.936 174.700 -0.070 0.000 1.055 190 T CA 2.128 64.197 62.100 -0.052 0.000 1.162 190 T CB -0.646 68.201 68.868 -0.034 0.000 0.863 190 T HN 0.679 nan 8.240 nan 0.000 0.414 191 A N 1.523 124.288 122.820 -0.091 0.000 1.883 191 A HA -0.187 4.133 4.320 0.000 0.000 0.217 191 A C 2.259 179.753 177.584 -0.149 0.000 1.186 191 A CA 2.335 54.317 52.037 -0.092 0.000 0.624 191 A CB -0.670 18.291 19.000 -0.065 0.000 0.822 191 A HN 0.496 nan 8.150 nan 0.000 0.444 192 R N -0.626 119.754 120.500 -0.201 0.000 2.073 192 R HA -0.075 4.265 4.340 0.000 0.000 0.234 192 R C 2.270 178.320 176.300 -0.417 0.000 1.134 192 R CA 1.811 57.729 56.100 -0.303 0.000 0.952 192 R CB -0.887 29.276 30.300 -0.227 0.000 0.850 192 R HN 0.410 nan 8.270 nan 0.000 0.433 193 G N 0.018 108.713 108.800 -0.174 0.000 2.446 193 G HA2 -0.322 3.638 3.960 0.000 0.000 0.217 193 G HA3 -0.322 3.638 3.960 0.000 0.000 0.217 193 G C 1.577 176.427 174.900 -0.083 0.000 1.168 193 G CA 0.880 45.957 45.100 -0.038 0.000 0.771 193 G HN 0.515 nan 8.290 nan 0.000 0.551 194 A N 1.193 123.956 122.820 -0.096 0.000 1.940 194 A HA -0.070 4.250 4.320 0.000 0.000 0.219 194 A C 2.733 180.251 177.584 -0.111 0.000 1.176 194 A CA 2.675 54.666 52.037 -0.077 0.000 0.631 194 A CB -0.694 18.273 19.000 -0.056 0.000 0.814 194 A HN 0.728 nan 8.150 nan 0.000 0.446 195 S N -1.294 114.300 115.700 -0.175 0.000 2.402 195 S HA -0.162 4.308 4.470 0.000 0.000 0.229 195 S C 1.812 176.340 174.600 -0.120 0.000 1.021 195 S CA 1.269 59.401 58.200 -0.113 0.000 0.974 195 S CB -0.763 62.461 63.200 0.041 0.000 0.800 195 S HN 0.533 nan 8.310 nan 0.000 0.484 196 Y N 3.460 123.755 120.300 -0.008 0.000 2.181 196 Y HA -0.100 4.450 4.550 0.000 0.000 0.288 196 Y C 3.253 179.041 175.900 -0.187 0.000 1.146 196 Y CA 0.801 58.868 58.100 -0.056 0.000 1.164 196 Y CB -1.767 36.702 38.460 0.015 0.000 0.982 196 Y HN 0.549 nan 8.280 nan 0.000 0.515 197 T N -2.641 111.883 114.554 -0.051 0.000 2.708 197 T HA -0.161 4.189 4.350 0.000 0.000 0.266 197 T C 2.068 176.514 174.700 -0.423 0.000 1.037 197 T CA 1.560 63.500 62.100 -0.267 0.000 1.146 197 T CB -1.153 67.642 68.868 -0.123 0.000 0.865 197 T HN 0.100 nan 8.240 nan 0.000 0.435 198 V N 2.146 121.903 119.914 -0.261 0.000 2.233 198 V HA -0.216 3.905 4.120 0.000 0.000 0.247 198 V C 2.982 178.870 176.094 -0.343 0.000 1.050 198 V CA 2.273 64.415 62.300 -0.264 0.000 1.010 198 V CB -0.892 30.831 31.823 -0.168 0.000 0.637 198 V HN 0.498 nan 8.190 nan 0.000 0.444 199 R N -0.104 120.195 120.500 -0.336 0.000 2.159 199 R HA -0.267 4.073 4.340 0.000 0.000 0.249 199 R C 2.265 178.370 176.300 -0.324 0.000 1.136 199 R CA 2.335 58.220 56.100 -0.359 0.000 0.951 199 R CB -0.266 29.846 30.300 -0.313 0.000 0.876 199 R HN 0.519 nan 8.270 nan 0.000 0.440 200 E N -0.205 119.729 120.200 -0.443 0.000 2.152 200 E HA -0.078 4.272 4.350 0.000 0.000 0.192 200 E C 1.834 177.911 176.600 -0.871 0.000 0.983 200 E CA 0.996 57.054 56.400 -0.570 0.000 0.818 200 E CB -0.256 28.928 29.700 -0.860 0.000 0.758 200 E HN 0.481 nan 8.360 nan 0.000 0.467 201 A N 1.873 124.079 122.820 -1.025 0.000 1.851 201 A HA -0.149 4.171 4.320 0.000 0.000 0.216 201 A C 2.478 179.862 177.584 -0.332 0.000 1.195 201 A CA 2.421 54.035 52.037 -0.704 0.000 0.622 201 A CB -0.944 17.776 19.000 -0.468 0.000 0.831 201 A HN 0.271 nan 8.150 nan 0.000 0.444 202 A N -0.682 121.988 122.820 -0.251 0.000 1.997 202 A HA -0.254 4.066 4.320 0.000 0.000 0.221 202 A C 2.099 179.635 177.584 -0.080 0.000 1.172 202 A CA 2.278 54.234 52.037 -0.135 0.000 0.645 202 A CB -0.502 18.422 19.000 -0.127 0.000 0.813 202 A HN 0.593 nan 8.150 nan 0.000 0.454 203 K N -0.706 119.647 120.400 -0.078 0.000 1.973 203 K HA -0.076 4.245 4.320 0.000 0.000 0.212 203 K C 2.364 179.022 176.600 0.096 0.000 1.047 203 K CA 1.201 57.515 56.287 0.046 0.000 0.937 203 K CB -0.413 32.189 32.500 0.169 0.000 0.721 203 K HN 0.403 nan 8.250 nan 0.000 0.440 204 A N 0.898 123.764 122.820 0.076 0.000 1.940 204 A HA -0.205 4.115 4.320 0.000 0.000 0.221 204 A C 1.766 179.405 177.584 0.092 0.000 1.190 204 A CA 1.664 53.748 52.037 0.078 0.000 0.647 204 A CB -0.625 18.126 19.000 -0.415 0.000 0.821 204 A HN 0.249 nan 8.150 nan 0.000 0.457 205 L N -0.463 120.780 121.223 0.033 0.000 2.650 205 L HA 0.217 4.557 4.340 0.000 0.000 0.235 205 L C 1.402 178.302 176.870 0.050 0.000 1.149 205 L CA 0.616 55.489 54.840 0.054 0.000 0.887 205 L CB -1.582 40.491 42.059 0.023 0.000 1.021 205 L HN 0.618 nan 8.230 nan 0.000 0.441 206 G N 1.349 110.182 108.800 0.055 0.000 2.330 206 G HA2 -0.204 3.756 3.960 0.000 0.000 0.239 206 G HA3 -0.204 3.756 3.960 0.000 0.000 0.239 206 G C -0.196 174.718 174.900 0.023 0.000 0.818 206 G CA 0.792 45.919 45.100 0.045 0.000 1.189 206 G HN 0.457 nan 8.290 nan 0.000 0.337 207 M N 0.500 120.105 119.600 0.008 0.000 2.694 207 M HA 0.684 5.164 4.480 0.000 0.000 0.276 207 M C -2.341 173.949 176.300 -0.016 0.000 1.167 207 M CA -0.996 54.302 55.300 -0.003 0.000 0.849 207 M CB 2.005 34.600 32.600 -0.008 0.000 1.705 207 M HN 0.086 nan 8.290 nan 0.000 0.504 208 D N 2.877 123.270 120.400 -0.012 0.000 2.471 208 D HA 0.434 5.074 4.640 0.000 0.000 0.245 208 D C 0.532 176.824 176.300 -0.013 0.000 1.116 208 D CA -0.239 53.753 54.000 -0.013 0.000 0.853 208 D CB 1.707 42.508 40.800 0.002 0.000 1.123 208 D HN 0.855 nan 8.370 nan 0.000 0.540 209 L N 2.265 123.469 121.223 -0.030 0.000 2.353 209 L HA -0.089 4.251 4.340 0.000 0.000 0.220 209 L C 1.372 178.256 176.870 0.023 0.000 1.133 209 L CA 0.754 55.586 54.840 -0.014 0.000 0.798 209 L CB -0.403 41.630 42.059 -0.043 0.000 0.922 209 L HN 0.138 nan 8.230 nan 0.000 0.445 210 K N 1.268 121.685 120.400 0.030 0.000 2.437 210 K HA 0.119 4.439 4.320 0.000 0.000 0.277 210 K C 1.211 177.830 176.600 0.030 0.000 1.073 210 K CA 0.939 57.250 56.287 0.041 0.000 1.105 210 K CB -0.009 32.514 32.500 0.039 0.000 0.881 210 K HN 0.230 nan 8.250 nan 0.000 0.475 211 G N 2.675 111.494 108.800 0.032 0.000 2.184 211 G HA2 -0.263 3.697 3.960 0.000 0.000 0.264 211 G HA3 -0.263 3.697 3.960 0.000 0.000 0.264 211 G C 0.058 174.972 174.900 0.024 0.000 0.975 211 G CA 0.351 45.465 45.100 0.025 0.000 0.642 211 G HN 0.536 nan 8.290 nan 0.000 0.536 212 K N 0.764 121.179 120.400 0.025 0.000 2.136 212 K HA 0.592 4.912 4.320 0.000 0.000 0.237 212 K C 0.792 177.409 176.600 0.027 0.000 1.048 212 K CA 0.293 56.593 56.287 0.022 0.000 0.880 212 K CB -0.042 32.466 32.500 0.013 0.000 1.105 212 K HN 0.254 nan 8.250 nan 0.000 0.507 213 T N 0.438 115.009 114.554 0.028 0.000 2.823 213 T HA 0.672 5.022 4.350 0.000 0.000 0.279 213 T C -0.201 174.521 174.700 0.037 0.000 0.998 213 T CA -0.665 61.458 62.100 0.038 0.000 0.994 213 T CB 1.051 69.949 68.868 0.050 0.000 0.960 213 T HN 0.470 nan 8.240 nan 0.000 0.448 214 I N 1.495 122.091 120.570 0.044 0.000 2.656 214 I HA 0.719 4.889 4.170 0.000 0.000 0.292 214 I C -1.544 174.608 176.117 0.057 0.000 1.144 214 I CA -0.696 60.630 61.300 0.043 0.000 1.038 214 I CB 1.431 39.453 38.000 0.036 0.000 1.244 214 I HN 0.843 nan 8.210 nan 0.000 0.420 215 A N 7.988 130.842 122.820 0.056 0.000 2.356 215 A HA 0.833 5.153 4.320 0.000 0.000 0.310 215 A C -1.243 176.376 177.584 0.058 0.000 1.075 215 A CA -0.454 51.624 52.037 0.068 0.000 0.746 215 A CB 0.992 20.033 19.000 0.069 0.000 1.221 215 A HN 0.618 nan 8.150 nan 0.000 0.443 216 I N 2.201 122.815 120.570 0.073 0.000 2.411 216 I HA 0.245 4.415 4.170 0.000 0.000 0.284 216 I C 0.100 176.269 176.117 0.087 0.000 1.012 216 I CA -0.400 60.947 61.300 0.078 0.000 1.119 216 I CB 1.974 40.036 38.000 0.104 0.000 1.261 216 I HN 0.867 nan 8.210 nan 0.000 0.448 217 Q N 7.060 126.899 119.800 0.064 0.000 2.323 217 Q HA 0.569 4.909 4.340 0.000 0.000 0.257 217 Q C -0.042 176.001 176.000 0.073 0.000 1.022 217 Q CA -0.054 55.786 55.803 0.062 0.000 0.919 217 Q CB 0.956 29.718 28.738 0.041 0.000 1.220 217 Q HN 0.883 nan 8.270 nan 0.000 0.427 218 G N 2.779 111.639 108.800 0.099 0.000 2.770 218 G HA2 -0.206 3.754 3.960 0.000 0.000 0.686 218 G HA3 -0.206 3.754 3.960 0.000 0.000 0.686 218 G C -1.379 173.638 174.900 0.194 0.000 1.180 218 G CA -0.380 44.788 45.100 0.113 0.000 0.767 218 G HN 0.707 nan 8.290 nan 0.000 0.646 219 Y N 1.911 122.232 120.300 0.034 0.000 2.810 219 Y HA 0.501 5.051 4.550 0.000 0.000 0.255 219 Y C 1.177 177.106 175.900 0.049 0.000 0.979 219 Y CA 0.604 58.730 58.100 0.043 0.000 1.106 219 Y CB 0.017 38.491 38.460 0.023 0.000 1.209 219 Y HN 1.029 nan 8.280 nan 0.000 0.646 220 G N 0.663 109.491 108.800 0.048 0.000 2.928 220 G HA2 0.004 3.964 3.960 0.000 0.000 0.163 220 G HA3 0.004 3.964 3.960 0.000 0.000 0.163 220 G C 0.822 175.701 174.900 -0.036 0.000 1.573 220 G CA 0.234 45.346 45.100 0.020 0.000 1.084 220 G HN 0.354 nan 8.290 nan 0.000 0.569 221 N N 1.166 119.881 118.700 0.024 0.000 2.053 221 N HA -0.276 4.464 4.740 0.000 0.000 0.200 221 N C 2.149 177.736 175.510 0.128 0.000 1.041 221 N CA 2.299 55.402 53.050 0.087 0.000 0.882 221 N CB -1.114 37.420 38.487 0.078 0.000 1.080 221 N HN 0.448 nan 8.380 nan 0.000 0.481 222 A N 0.343 123.205 122.820 0.070 0.000 1.970 222 A HA 0.237 4.557 4.320 0.000 0.000 0.216 222 A C 2.458 180.032 177.584 -0.017 0.000 1.170 222 A CA 1.431 53.502 52.037 0.055 0.000 0.645 222 A CB -1.012 18.001 19.000 0.023 0.000 0.816 222 A HN 0.472 nan 8.150 nan 0.000 0.447 223 G N -0.990 107.771 108.800 -0.064 0.000 2.404 223 G HA2 -0.252 3.708 3.960 0.000 0.000 0.215 223 G HA3 -0.252 3.708 3.960 0.000 0.000 0.215 223 G C 1.531 176.226 174.900 -0.342 0.000 1.174 223 G CA 1.277 46.308 45.100 -0.115 0.000 0.780 223 G HN 0.518 nan 8.290 nan 0.000 0.537 224 Y N 0.925 120.775 120.300 -0.750 0.000 2.053 224 Y HA -0.213 4.337 4.550 0.000 0.000 0.277 224 Y C 2.568 178.158 175.900 -0.517 0.000 1.159 224 Y CA 1.305 58.766 58.100 -1.065 0.000 1.125 224 Y CB -1.031 36.910 38.460 -0.865 0.000 0.969 224 Y HN 0.264 nan 8.280 nan 0.000 0.492 225 Y N -0.451 119.445 120.300 -0.674 0.000 2.070 225 Y HA -0.318 4.232 4.550 0.000 0.000 0.280 225 Y C 2.814 178.483 175.900 -0.385 0.000 1.148 225 Y CA 2.203 59.920 58.100 -0.638 0.000 1.125 225 Y CB -1.208 37.030 38.460 -0.371 0.000 0.975 225 Y HN 0.267 nan 8.280 nan 0.000 0.492 226 M N 0.264 119.816 119.600 -0.079 0.000 2.103 226 M HA -0.312 4.169 4.480 0.000 0.000 0.255 226 M C 2.162 178.426 176.300 -0.061 0.000 1.074 226 M CA 2.089 57.355 55.300 -0.056 0.000 1.090 226 M CB -0.917 31.663 32.600 -0.032 0.000 1.325 226 M HN 0.241 nan 8.290 nan 0.000 0.403 227 A N -0.400 122.371 122.820 -0.081 0.000 1.841 227 A HA -0.260 4.060 4.320 0.000 0.000 0.216 227 A C 2.264 179.816 177.584 -0.054 0.000 1.199 227 A CA 2.329 54.360 52.037 -0.010 0.000 0.621 227 A CB -1.009 18.061 19.000 0.116 0.000 0.835 227 A HN 0.590 nan 8.150 nan 0.000 0.445 228 K N -0.717 119.582 120.400 -0.168 0.000 2.015 228 K HA -0.231 4.089 4.320 0.000 0.000 0.220 228 K C 1.847 178.379 176.600 -0.112 0.000 1.055 228 K CA 2.258 58.449 56.287 -0.160 0.000 0.951 228 K CB -0.490 31.798 32.500 -0.354 0.000 0.725 228 K HN 0.493 nan 8.250 nan 0.000 0.449 229 I N 0.558 121.053 120.570 -0.124 0.000 2.226 229 I HA -0.305 3.865 4.170 0.000 0.000 0.245 229 I C 2.432 178.445 176.117 -0.174 0.000 1.100 229 I CA 0.963 62.163 61.300 -0.167 0.000 1.374 229 I CB -0.261 37.632 38.000 -0.178 0.000 1.057 229 I HN 0.215 nan 8.210 nan 0.000 0.413 230 M N 0.655 120.232 119.600 -0.038 0.000 2.080 230 M HA -0.181 4.299 4.480 0.000 0.000 0.260 230 M C 2.599 178.937 176.300 0.063 0.000 1.068 230 M CA 2.160 57.516 55.300 0.093 0.000 1.109 230 M CB -1.465 31.184 32.600 0.081 0.000 1.342 230 M HN 0.440 nan 8.290 nan 0.000 0.405 231 S N -0.597 115.108 115.700 0.009 0.000 2.325 231 S HA -0.107 4.363 4.470 0.000 0.000 0.213 231 S C 1.907 176.491 174.600 -0.027 0.000 1.031 231 S CA 1.131 59.336 58.200 0.009 0.000 0.984 231 S CB -0.786 62.417 63.200 0.005 0.000 0.939 231 S HN 0.447 nan 8.310 nan 0.000 0.438 232 E N 1.626 121.788 120.200 -0.062 0.000 2.035 232 E HA -0.217 4.133 4.350 0.000 0.000 0.204 232 E C 2.232 178.745 176.600 -0.144 0.000 1.025 232 E CA 1.927 58.277 56.400 -0.083 0.000 0.835 232 E CB -0.186 29.469 29.700 -0.075 0.000 0.764 232 E HN 0.724 nan 8.360 nan 0.000 0.457 233 E N -1.155 118.860 120.200 -0.309 0.000 2.385 233 E HA -0.079 4.271 4.350 0.000 0.000 0.194 233 E C 1.380 177.679 176.600 -0.501 0.000 1.013 233 E CA 0.411 56.530 56.400 -0.468 0.000 0.866 233 E CB 0.212 29.478 29.700 -0.724 0.000 0.832 233 E HN 0.343 nan 8.360 nan 0.000 0.500 234 Y N 0.148 120.448 120.300 -0.001 0.000 2.500 234 Y HA 0.284 4.835 4.550 0.000 0.000 0.284 234 Y C 1.758 177.659 175.900 0.001 0.000 1.118 234 Y CA 0.305 58.404 58.100 -0.001 0.000 1.241 234 Y CB 0.314 38.767 38.460 -0.011 0.000 1.171 234 Y HN 0.087 nan 8.280 nan 0.000 0.540 235 G N 0.521 109.392 108.800 0.118 0.000 2.165 235 G HA2 -0.248 3.712 3.960 0.000 0.000 0.226 235 G HA3 -0.248 3.712 3.960 0.000 0.000 0.226 235 G C 0.051 174.992 174.900 0.068 0.000 1.035 235 G CA 0.107 45.252 45.100 0.075 0.000 0.744 235 G HN 0.180 nan 8.290 nan 0.000 0.501 236 M N -0.650 118.994 119.600 0.073 0.000 2.527 236 M HA 0.516 4.996 4.480 0.000 0.000 0.283 236 M C 0.485 176.806 176.300 0.035 0.000 1.188 236 M CA -0.428 54.904 55.300 0.054 0.000 0.941 236 M CB 1.103 33.740 32.600 0.063 0.000 1.498 236 M HN -0.038 nan 8.290 nan 0.000 0.510 237 K N 1.456 121.873 120.400 0.027 0.000 2.367 237 K HA 0.378 4.698 4.320 0.000 0.000 0.263 237 K C -1.339 175.270 176.600 0.014 0.000 1.000 237 K CA -0.461 55.834 56.287 0.013 0.000 0.891 237 K CB 1.505 34.008 32.500 0.006 0.000 1.117 237 K HN 0.380 nan 8.250 nan 0.000 0.443 238 V N 4.300 124.219 119.914 0.008 0.000 2.302 238 V HA -0.038 4.083 4.120 0.000 0.000 0.244 238 V C 1.407 177.490 176.094 -0.019 0.000 1.160 238 V CA -0.066 62.242 62.300 0.013 0.000 1.127 238 V CB -0.031 31.804 31.823 0.021 0.000 1.253 238 V HN 0.646 nan 8.190 nan 0.000 0.496 239 V N 1.524 121.440 119.914 0.004 0.000 3.623 239 V HA 0.666 4.787 4.120 0.000 0.000 0.271 239 V C 0.721 176.840 176.094 0.042 0.000 1.248 239 V CA 0.760 63.035 62.300 -0.043 0.000 1.156 239 V CB -0.236 31.590 31.823 0.005 0.000 0.870 239 V HN 0.808 nan 8.190 nan 0.000 0.453 240 A N -0.912 121.954 122.820 0.078 0.000 2.532 240 A HA 0.762 5.082 4.320 0.000 0.000 0.296 240 A C -0.950 176.661 177.584 0.045 0.000 1.058 240 A CA -0.177 51.922 52.037 0.103 0.000 0.729 240 A CB 1.732 20.859 19.000 0.212 0.000 1.285 240 A HN 0.194 nan 8.150 nan 0.000 0.396 241 V N 0.626 120.532 119.914 -0.012 0.000 3.344 241 V HA 1.014 5.134 4.120 0.000 0.000 0.301 241 V C 0.567 176.658 176.094 -0.004 0.000 1.286 241 V CA 0.503 62.792 62.300 -0.017 0.000 1.028 241 V CB 1.982 33.653 31.823 -0.254 0.000 1.223 241 V HN 2.060 nan 8.190 nan 0.000 0.478 242 S N -0.294 115.406 115.700 -0.000 0.000 2.692 242 S HA 0.392 4.862 4.470 0.000 0.000 0.266 242 S C -2.518 172.117 174.600 0.060 0.000 1.012 242 S CA 0.093 58.307 58.200 0.024 0.000 0.903 242 S CB 1.274 64.501 63.200 0.044 0.000 1.164 242 S HN 1.415 nan 8.310 nan 0.000 0.472 243 D N -0.706 119.732 120.400 0.063 0.000 2.827 243 D HA 0.224 4.864 4.640 0.000 0.000 0.336 243 D C 0.931 177.270 176.300 0.064 0.000 1.374 243 D CA 0.337 54.386 54.000 0.081 0.000 0.794 243 D CB 0.054 40.909 40.800 0.092 0.000 1.364 243 D HN 0.592 nan 8.370 nan 0.000 0.464 244 T N 0.526 115.119 114.554 0.065 0.000 2.653 244 T HA -0.220 4.130 4.350 0.000 0.000 0.267 244 T C 1.359 176.088 174.700 0.049 0.000 1.037 244 T CA 2.169 64.301 62.100 0.055 0.000 1.159 244 T CB -0.291 68.609 68.868 0.055 0.000 0.859 244 T HN 0.415 nan 8.240 nan 0.000 0.449 245 K N 1.021 121.452 120.400 0.053 0.000 2.361 245 K HA 0.447 4.767 4.320 0.000 0.000 0.194 245 K C 1.144 177.774 176.600 0.050 0.000 1.032 245 K CA 0.462 56.779 56.287 0.050 0.000 1.048 245 K CB 0.937 33.471 32.500 0.055 0.000 0.842 245 K HN 0.522 nan 8.250 nan 0.000 0.526 246 G N -0.007 108.823 108.800 0.050 0.000 2.368 246 G HA2 0.314 4.274 3.960 0.000 0.000 0.302 246 G HA3 0.314 4.274 3.960 0.000 0.000 0.302 246 G C -1.203 173.722 174.900 0.041 0.000 1.329 246 G CA -0.552 44.574 45.100 0.045 0.000 0.935 246 G HN 0.251 nan 8.290 nan 0.000 0.590 247 G N -1.104 107.716 108.800 0.033 0.000 2.818 247 G HA2 0.932 4.892 3.960 0.000 0.000 0.286 247 G HA3 0.932 4.892 3.960 0.000 0.000 0.286 247 G C -0.365 174.547 174.900 0.020 0.000 1.364 247 G CA -0.142 44.968 45.100 0.017 0.000 0.938 247 G HN 1.669 nan 8.290 nan 0.000 0.490 248 I N -2.641 117.930 120.570 0.000 0.000 3.145 248 I HA 0.867 5.037 4.170 0.000 0.000 0.313 248 I C -2.035 174.133 176.117 0.086 0.000 1.122 248 I CA -1.192 60.118 61.300 0.017 0.000 0.987 248 I CB 2.494 40.461 38.000 -0.055 0.000 1.236 248 I HN 0.553 nan 8.210 nan 0.000 0.453 249 Y N 2.884 123.156 120.300 -0.047 0.000 2.562 249 Y HA 0.635 5.185 4.550 0.000 0.000 0.345 249 Y C -1.602 174.281 175.900 -0.030 0.000 1.045 249 Y CA -0.857 57.221 58.100 -0.038 0.000 1.028 249 Y CB 1.811 40.257 38.460 -0.023 0.000 1.297 249 Y HN 0.825 nan 8.280 nan 0.000 0.463 250 N N 5.449 123.449 118.700 -1.167 0.000 3.127 250 N HA 0.255 4.995 4.740 0.000 0.000 0.239 250 N C -3.106 171.913 175.510 -0.818 0.000 1.200 250 N CA -1.552 51.007 53.050 -0.819 0.000 0.924 250 N CB 1.840 40.123 38.487 -0.340 0.000 1.583 250 N HN 0.296 nan 8.380 nan 0.000 0.645 251 P HA 0.206 nan 4.420 nan 0.000 0.269 251 P C -0.303 176.905 177.300 -0.154 0.000 1.461 251 P CA 0.479 63.402 63.100 -0.294 0.000 0.809 251 P CB 0.269 31.952 31.700 -0.028 0.000 1.503 252 D N -0.669 119.622 120.400 -0.181 0.000 2.454 252 D HA 0.205 4.845 4.640 0.000 0.000 0.214 252 D C 0.855 177.105 176.300 -0.084 0.000 1.088 252 D CA 0.633 54.573 54.000 -0.100 0.000 0.855 252 D CB 0.498 41.246 40.800 -0.086 0.000 1.025 252 D HN 0.119 nan 8.370 nan 0.000 0.502 253 G N 1.598 110.327 108.800 -0.119 0.000 3.436 253 G HA2 -0.155 3.805 3.960 0.000 0.000 0.685 253 G HA3 -0.155 3.805 3.960 0.000 0.000 0.685 253 G C -0.283 174.573 174.900 -0.074 0.000 1.039 253 G CA -0.615 44.437 45.100 -0.080 0.000 0.879 253 G HN 0.065 nan 8.290 nan 0.000 0.478 254 L N 1.521 122.686 121.223 -0.096 0.000 2.425 254 L HA 0.505 4.845 4.340 0.000 0.000 0.225 254 L C 1.105 177.940 176.870 -0.058 0.000 1.222 254 L CA -0.357 54.416 54.840 -0.111 0.000 0.832 254 L CB 0.344 42.276 42.059 -0.211 0.000 1.238 254 L HN 0.733 nan 8.230 nan 0.000 0.533 255 N N -0.888 117.772 118.700 -0.066 0.000 2.461 255 N HA 0.359 5.099 4.740 0.000 0.000 0.284 255 N C 0.186 175.711 175.510 0.025 0.000 1.049 255 N CA 0.201 53.255 53.050 0.007 0.000 0.889 255 N CB 1.881 40.395 38.487 0.045 0.000 1.365 255 N HN 0.648 nan 8.380 nan 0.000 0.499 256 A N 3.680 126.577 122.820 0.127 0.000 1.848 256 A HA -0.235 4.085 4.320 0.000 0.000 0.217 256 A C 1.435 179.202 177.584 0.305 0.000 1.220 256 A CA 2.032 54.269 52.037 0.333 0.000 0.645 256 A CB -0.741 18.486 19.000 0.379 0.000 0.842 256 A HN 0.832 nan 8.150 nan 0.000 0.451 257 D N -0.594 119.966 120.400 0.266 0.000 2.126 257 D HA -0.211 4.429 4.640 0.000 0.000 0.190 257 D C 1.872 178.218 176.300 0.077 0.000 1.001 257 D CA 1.769 55.837 54.000 0.114 0.000 0.841 257 D CB -0.489 40.386 40.800 0.124 0.000 0.949 257 D HN 0.682 nan 8.370 nan 0.000 0.446 258 E N 0.403 120.672 120.200 0.114 0.000 2.013 258 E HA -0.174 4.176 4.350 0.000 0.000 0.202 258 E C 2.480 179.213 176.600 0.221 0.000 1.018 258 E CA 1.279 57.797 56.400 0.198 0.000 0.834 258 E CB -0.116 29.742 29.700 0.264 0.000 0.770 258 E HN 0.072 nan 8.360 nan 0.000 0.459 259 V N 1.710 121.566 119.914 -0.097 0.000 2.277 259 V HA -0.310 3.810 4.120 0.000 0.000 0.253 259 V C 2.422 178.440 176.094 -0.127 0.000 1.067 259 V CA 1.870 63.838 62.300 -0.554 0.000 1.047 259 V CB -0.821 30.517 31.823 -0.807 0.000 0.649 259 V HN 0.272 nan 8.190 nan 0.000 0.447 260 L N 1.118 122.338 121.223 -0.004 0.000 1.978 260 L HA -0.206 4.134 4.340 0.000 0.000 0.218 260 L C 2.540 179.439 176.870 0.048 0.000 1.075 260 L CA 2.549 57.413 54.840 0.040 0.000 0.767 260 L CB -1.549 40.358 42.059 -0.253 0.000 0.890 260 L HN 0.276 nan 8.230 nan 0.000 0.434 261 A N -0.377 122.490 122.820 0.078 0.000 1.870 261 A HA -0.336 3.984 4.320 0.000 0.000 0.219 261 A C 2.214 179.901 177.584 0.173 0.000 1.224 261 A CA 2.332 54.435 52.037 0.110 0.000 0.650 261 A CB -1.727 17.361 19.000 0.147 0.000 0.836 261 A HN 0.793 nan 8.150 nan 0.000 0.454 262 W N 0.841 122.212 121.300 0.118 0.000 2.208 262 W HA -0.398 4.262 4.660 0.000 0.000 0.329 262 W C 2.263 178.821 176.519 0.064 0.000 1.277 262 W CA 3.202 60.632 57.345 0.142 0.000 1.134 262 W CB -0.810 28.884 29.460 0.390 0.000 1.128 262 W HN 0.420 nan 8.180 nan 0.000 0.477 263 K N 0.799 121.366 120.400 0.278 0.000 2.169 263 K HA -0.304 4.016 4.320 0.000 0.000 0.213 263 K C 2.121 178.719 176.600 -0.004 0.000 1.050 263 K CA 2.789 59.142 56.287 0.111 0.000 0.935 263 K CB -0.517 32.056 32.500 0.121 0.000 0.722 263 K HN -0.002 nan 8.250 nan 0.000 0.468 264 K N 0.229 120.629 120.400 0.000 0.000 1.973 264 K HA -0.079 4.241 4.320 0.000 0.000 0.210 264 K C 2.081 178.634 176.600 -0.078 0.000 1.045 264 K CA 1.454 57.721 56.287 -0.033 0.000 0.937 264 K CB -0.196 32.286 32.500 -0.029 0.000 0.721 264 K HN 0.151 nan 8.250 nan 0.000 0.438 265 K N 0.368 120.703 120.400 -0.108 0.000 2.057 265 K HA -0.051 4.269 4.320 0.000 0.000 0.206 265 K C 2.228 178.674 176.600 -0.256 0.000 1.050 265 K CA 1.321 57.512 56.287 -0.161 0.000 0.935 265 K CB -0.563 31.836 32.500 -0.168 0.000 0.715 265 K HN 0.169 nan 8.250 nan 0.000 0.439 266 T N -0.651 113.659 114.554 -0.407 0.000 2.777 266 T HA -0.041 4.309 4.350 0.000 0.000 0.266 266 T C 1.367 175.913 174.700 -0.258 0.000 1.040 266 T CA 1.748 63.525 62.100 -0.539 0.000 1.141 266 T CB -0.193 68.022 68.868 -1.088 0.000 0.868 266 T HN 0.543 nan 8.240 nan 0.000 0.444 267 G N 0.518 109.230 108.800 -0.146 0.000 2.195 267 G HA2 -0.138 3.822 3.960 0.000 0.000 0.224 267 G HA3 -0.138 3.822 3.960 0.000 0.000 0.224 267 G C 0.254 175.151 174.900 -0.005 0.000 0.990 267 G CA 0.396 45.460 45.100 -0.060 0.000 0.639 267 G HN 1.058 nan 8.290 nan 0.000 0.514 268 S N -2.261 113.449 115.700 0.015 0.000 2.614 268 S HA 0.452 4.922 4.470 0.000 0.000 0.280 268 S C 1.013 175.792 174.600 0.298 0.000 1.111 268 S CA 0.610 58.880 58.200 0.116 0.000 0.847 268 S CB 0.935 64.199 63.200 0.107 0.000 1.079 268 S HN 1.791 nan 8.310 nan 0.000 0.452 269 V N 2.465 122.524 119.914 0.241 0.000 2.828 269 V HA 0.134 4.254 4.120 0.000 0.000 0.260 269 V C 1.097 177.388 176.094 0.327 0.000 1.101 269 V CA 1.890 64.328 62.300 0.231 0.000 1.123 269 V CB -1.062 30.693 31.823 -0.114 0.000 0.704 269 V HN 0.811 nan 8.190 nan 0.000 0.493 270 K N 0.990 121.593 120.400 0.340 0.000 2.530 270 K HA -0.103 4.217 4.320 0.000 0.000 0.280 270 K C 0.576 177.470 176.600 0.490 0.000 1.004 270 K CA 1.147 57.620 56.287 0.311 0.000 1.071 270 K CB -0.141 32.490 32.500 0.217 0.000 0.876 270 K HN 0.695 nan 8.250 nan 0.000 0.487 271 D N 1.596 122.130 120.400 0.224 0.000 3.077 271 D HA -0.263 4.377 4.640 0.000 0.000 0.212 271 D C 0.048 176.238 176.300 -0.184 0.000 1.125 271 D CA 0.779 54.881 54.000 0.169 0.000 0.970 271 D CB -1.589 39.430 40.800 0.366 0.000 1.110 271 D HN 0.474 nan 8.370 nan 0.000 0.419 272 F N 1.736 121.246 119.950 -0.734 0.000 2.613 272 F HA 0.056 4.584 4.527 0.000 0.000 0.373 272 F C -1.652 173.537 175.800 -1.018 0.000 1.085 272 F CA -0.337 56.666 58.000 -1.662 0.000 1.309 272 F CB 0.395 38.799 39.000 -0.994 0.000 0.986 272 F HN -0.218 nan 8.300 nan 0.000 0.592 273 P HA 0.248 nan 4.420 nan 0.000 0.276 273 P C 0.155 177.091 177.300 -0.608 0.000 1.253 273 P CA 0.937 63.489 63.100 -0.913 0.000 0.766 273 P CB 0.835 32.044 31.700 -0.819 0.000 0.845 274 G N 2.100 110.717 108.800 -0.304 0.000 2.132 274 G HA2 0.035 3.995 3.960 0.000 0.000 0.234 274 G HA3 0.035 3.995 3.960 0.000 0.000 0.234 274 G C 0.057 174.904 174.900 -0.089 0.000 0.989 274 G CA -0.028 44.972 45.100 -0.166 0.000 0.676 274 G HN 0.866 nan 8.290 nan 0.000 0.522 275 A N -0.673 122.105 122.820 -0.071 0.000 2.520 275 A HA 0.863 5.183 4.320 0.000 0.000 0.298 275 A C 0.258 177.833 177.584 -0.014 0.000 1.051 275 A CA 0.497 52.512 52.037 -0.036 0.000 0.690 275 A CB 0.952 19.945 19.000 -0.010 0.000 1.281 275 A HN 0.866 nan 8.150 nan 0.000 0.402 276 T N 1.695 116.262 114.554 0.021 0.000 2.734 276 T HA 0.213 4.563 4.350 0.000 0.000 0.314 276 T C 0.256 174.993 174.700 0.062 0.000 1.057 276 T CA 0.366 62.499 62.100 0.055 0.000 1.047 276 T CB -0.005 68.930 68.868 0.112 0.000 0.991 276 T HN 0.645 nan 8.240 nan 0.000 0.540 277 N N 1.025 119.758 118.700 0.055 0.000 2.370 277 N HA 0.728 5.468 4.740 0.000 0.000 0.303 277 N C -0.621 174.919 175.510 0.049 0.000 1.103 277 N CA -0.771 52.309 53.050 0.051 0.000 0.848 277 N CB 1.117 39.631 38.487 0.044 0.000 1.235 277 N HN 0.668 nan 8.380 nan 0.000 0.496 278 I N -3.191 117.404 120.570 0.042 0.000 2.984 278 I HA 0.471 4.641 4.170 0.000 0.000 0.303 278 I C -0.706 175.422 176.117 0.019 0.000 1.381 278 I CA -0.736 60.577 61.300 0.022 0.000 0.988 278 I CB 1.915 39.919 38.000 0.006 0.000 1.307 278 I HN 0.313 nan 8.210 nan 0.000 0.460 279 T N 1.850 116.409 114.554 0.009 0.000 2.910 279 T HA 0.251 4.601 4.350 0.000 0.000 0.293 279 T C 1.013 175.719 174.700 0.010 0.000 1.015 279 T CA 0.326 62.433 62.100 0.012 0.000 1.094 279 T CB 0.498 69.371 68.868 0.008 0.000 0.968 279 T HN 0.811 nan 8.240 nan 0.000 0.521 280 N N 1.940 120.650 118.700 0.017 0.000 2.064 280 N HA -0.211 4.529 4.740 0.000 0.000 0.200 280 N C 1.753 177.269 175.510 0.009 0.000 1.028 280 N CA 2.272 55.333 53.050 0.018 0.000 0.880 280 N CB -0.073 38.427 38.487 0.022 0.000 1.062 280 N HN 0.728 nan 8.380 nan 0.000 0.454 281 E N 0.545 120.748 120.200 0.005 0.000 2.130 281 E HA -0.274 4.076 4.350 0.000 0.000 0.196 281 E C 1.791 178.384 176.600 -0.012 0.000 0.998 281 E CA 1.063 57.462 56.400 -0.001 0.000 0.806 281 E CB -0.223 29.476 29.700 -0.001 0.000 0.738 281 E HN 0.504 nan 8.360 nan 0.000 0.459 282 E N 0.790 120.980 120.200 -0.017 0.000 2.049 282 E HA -0.217 4.134 4.350 0.000 0.000 0.198 282 E C 2.162 178.733 176.600 -0.048 0.000 1.007 282 E CA 1.008 57.384 56.400 -0.039 0.000 0.809 282 E CB -0.135 29.539 29.700 -0.042 0.000 0.749 282 E HN 0.117 nan 8.360 nan 0.000 0.450 283 L N 0.836 122.043 121.223 -0.028 0.000 1.971 283 L HA -0.261 4.079 4.340 0.000 0.000 0.215 283 L C 2.157 179.019 176.870 -0.014 0.000 1.072 283 L CA 1.644 56.474 54.840 -0.017 0.000 0.758 283 L CB -0.420 41.647 42.059 0.012 0.000 0.889 283 L HN 0.200 nan 8.230 nan 0.000 0.433 284 L N -0.450 120.770 121.223 -0.005 0.000 2.011 284 L HA -0.329 4.011 4.340 0.000 0.000 0.225 284 L C 2.355 179.218 176.870 -0.011 0.000 1.084 284 L CA 2.206 57.044 54.840 -0.003 0.000 0.791 284 L CB -1.024 41.035 42.059 0.000 0.000 0.898 284 L HN 0.446 nan 8.230 nan 0.000 0.440 285 E N -0.019 120.169 120.200 -0.020 0.000 2.511 285 E HA 0.038 4.388 4.350 0.000 0.000 0.196 285 E C 0.635 177.211 176.600 -0.040 0.000 1.066 285 E CA -0.283 56.102 56.400 -0.025 0.000 0.871 285 E CB -0.022 29.663 29.700 -0.025 0.000 0.863 285 E HN 0.380 nan 8.360 nan 0.000 0.520 286 L N 1.375 122.568 121.223 -0.051 0.000 2.472 286 L HA -0.053 4.287 4.340 0.000 0.000 0.273 286 L C 1.090 177.934 176.870 -0.044 0.000 1.254 286 L CA 0.622 55.416 54.840 -0.076 0.000 0.823 286 L CB 0.329 42.335 42.059 -0.087 0.000 1.096 286 L HN 0.027 nan 8.230 nan 0.000 0.521 287 E N 1.120 121.292 120.200 -0.046 0.000 2.427 287 E HA 0.226 4.577 4.350 0.000 0.000 0.259 287 E C -1.176 175.430 176.600 0.010 0.000 1.267 287 E CA -0.308 56.082 56.400 -0.016 0.000 1.425 287 E CB 0.334 30.024 29.700 -0.017 0.000 1.482 287 E HN 0.294 nan 8.360 nan 0.000 0.460 288 V N 0.712 120.635 119.914 0.015 0.000 3.096 288 V HA 0.156 4.276 4.120 0.000 0.000 0.319 288 V C 0.697 176.803 176.094 0.020 0.000 1.082 288 V CA -0.674 61.644 62.300 0.030 0.000 1.022 288 V CB 1.621 33.467 31.823 0.038 0.000 1.103 288 V HN 0.265 nan 8.190 nan 0.000 0.455 289 D N -0.016 120.396 120.400 0.020 0.000 2.305 289 D HA 0.123 4.763 4.640 0.000 0.000 0.206 289 D C 0.038 176.341 176.300 0.004 0.000 0.974 289 D CA 0.838 54.844 54.000 0.011 0.000 0.871 289 D CB 0.305 41.110 40.800 0.008 0.000 0.947 289 D HN 0.262 nan 8.370 nan 0.000 0.516 290 V N 1.384 121.303 119.914 0.008 0.000 2.612 290 V HA 0.278 4.398 4.120 0.000 0.000 0.301 290 V C -1.252 174.848 176.094 0.011 0.000 1.059 290 V CA -1.016 61.286 62.300 0.002 0.000 0.886 290 V CB 2.516 34.336 31.823 -0.005 0.000 1.007 290 V HN -0.086 nan 8.190 nan 0.000 0.426 291 L N 4.728 125.955 121.223 0.007 0.000 2.298 291 L HA 0.870 5.210 4.340 0.000 0.000 0.284 291 L C 0.512 177.388 176.870 0.009 0.000 1.013 291 L CA 0.072 54.919 54.840 0.012 0.000 0.824 291 L CB 1.490 43.555 42.059 0.010 0.000 1.221 291 L HN 0.734 nan 8.230 nan 0.000 0.418 292 A N 6.780 129.610 122.820 0.016 0.000 3.106 292 A HA 0.508 4.828 4.320 0.000 0.000 0.306 292 A C -2.351 175.245 177.584 0.019 0.000 1.192 292 A CA -1.265 50.780 52.037 0.013 0.000 0.994 292 A CB -0.930 18.078 19.000 0.013 0.000 1.107 292 A HN 0.614 nan 8.150 nan 0.000 0.585 293 P HA -0.079 nan 4.420 nan 0.000 0.255 293 P C 0.364 177.675 177.300 0.018 0.000 1.151 293 P CA 1.255 64.367 63.100 0.020 0.000 0.767 293 P CB 0.295 32.003 31.700 0.013 0.000 0.736 294 S N 1.641 117.356 115.700 0.025 0.000 3.073 294 S HA 0.533 5.003 4.470 0.000 0.000 0.252 294 S C 0.753 175.367 174.600 0.024 0.000 0.953 294 S CA 0.161 58.374 58.200 0.021 0.000 1.105 294 S CB 0.306 63.517 63.200 0.019 0.000 1.070 294 S HN 0.459 nan 8.310 nan 0.000 0.574 295 A N 1.599 124.434 122.820 0.025 0.000 1.989 295 A HA 0.797 5.117 4.320 0.000 0.000 0.201 295 A C 0.322 177.914 177.584 0.014 0.000 1.720 295 A CA 0.548 52.601 52.037 0.025 0.000 0.956 295 A CB -0.034 18.989 19.000 0.039 0.000 1.094 295 A HN 0.906 nan 8.150 nan 0.000 0.561 296 I N -2.556 118.022 120.570 0.012 0.000 3.279 296 I HA 0.543 4.713 4.170 0.000 0.000 0.315 296 I C -0.486 175.631 176.117 0.000 0.000 1.187 296 I CA -1.051 60.251 61.300 0.003 0.000 0.953 296 I CB 1.488 39.492 38.000 0.006 0.000 1.279 296 I HN 0.364 nan 8.210 nan 0.000 0.465 297 E N 0.672 120.867 120.200 -0.008 0.000 2.351 297 E HA 0.219 4.569 4.350 0.000 0.000 0.255 297 E C -0.873 175.726 176.600 -0.003 0.000 1.188 297 E CA -0.290 56.105 56.400 -0.009 0.000 0.940 297 E CB 0.277 29.962 29.700 -0.024 0.000 1.094 297 E HN 0.705 nan 8.360 nan 0.000 0.474 298 E N -0.823 119.377 120.200 -0.001 0.000 2.199 298 E HA -0.212 4.139 4.350 0.000 0.000 0.208 298 E C 0.783 177.386 176.600 0.005 0.000 1.310 298 E CA 0.573 56.974 56.400 0.002 0.000 0.709 298 E CB -1.986 27.714 29.700 -0.000 0.000 1.127 298 E HN 0.513 nan 8.360 nan 0.000 0.354 299 V N -3.014 116.904 119.914 0.006 0.000 3.578 299 V HA 0.311 4.431 4.120 0.000 0.000 0.290 299 V C 0.819 176.918 176.094 0.008 0.000 1.376 299 V CA 0.041 62.346 62.300 0.008 0.000 1.083 299 V CB 0.103 31.932 31.823 0.010 0.000 0.911 299 V HN 0.324 nan 8.190 nan 0.000 0.433 300 I N 1.977 122.552 120.570 0.008 0.000 2.545 300 I HA 0.728 4.898 4.170 0.000 0.000 0.292 300 I C 0.009 176.132 176.117 0.009 0.000 1.040 300 I CA 0.079 61.383 61.300 0.008 0.000 1.068 300 I CB 2.174 40.179 38.000 0.008 0.000 1.251 300 I HN 0.407 nan 8.210 nan 0.000 0.424 301 T N 0.635 115.194 114.554 0.009 0.000 2.637 301 T HA 0.275 4.625 4.350 0.000 0.000 0.303 301 T C 0.676 175.382 174.700 0.010 0.000 1.288 301 T CA -0.880 61.226 62.100 0.010 0.000 1.040 301 T CB 1.603 70.475 68.868 0.008 0.000 1.644 301 T HN 0.681 nan 8.240 nan 0.000 0.480 302 K N 0.946 121.352 120.400 0.010 0.000 2.026 302 K HA -0.096 4.224 4.320 0.000 0.000 0.208 302 K C 1.801 178.406 176.600 0.007 0.000 1.048 302 K CA 1.123 57.416 56.287 0.010 0.000 0.929 302 K CB -0.419 32.087 32.500 0.009 0.000 0.713 302 K HN 0.487 nan 8.250 nan 0.000 0.439 303 K N 1.196 121.600 120.400 0.006 0.000 2.000 303 K HA -0.189 4.131 4.320 0.000 0.000 0.218 303 K C 1.950 178.552 176.600 0.003 0.000 1.053 303 K CA 2.270 58.560 56.287 0.004 0.000 0.946 303 K CB -0.541 31.962 32.500 0.004 0.000 0.723 303 K HN 0.449 nan 8.250 nan 0.000 0.446 304 N N 0.977 119.680 118.700 0.004 0.000 2.336 304 N HA 0.004 4.744 4.740 0.000 0.000 0.177 304 N C 1.813 177.324 175.510 0.003 0.000 1.018 304 N CA 1.121 54.172 53.050 0.002 0.000 0.878 304 N CB -0.743 37.745 38.487 0.002 0.000 0.997 304 N HN 0.162 nan 8.380 nan 0.000 0.433 305 A N 1.765 124.589 122.820 0.006 0.000 1.997 305 A HA -0.313 4.007 4.320 0.000 0.000 0.226 305 A C 1.608 179.197 177.584 0.007 0.000 1.327 305 A CA 2.395 54.438 52.037 0.009 0.000 0.693 305 A CB -1.111 17.897 19.000 0.013 0.000 0.832 305 A HN 0.454 nan 8.150 nan 0.000 0.497 306 D N -0.869 119.534 120.400 0.005 0.000 2.348 306 D HA -0.066 4.574 4.640 0.000 0.000 0.216 306 D C 0.898 177.198 176.300 -0.001 0.000 0.970 306 D CA 0.969 54.971 54.000 0.002 0.000 0.889 306 D CB -0.215 40.585 40.800 0.001 0.000 0.912 306 D HN 0.639 nan 8.370 nan 0.000 0.524 307 N N 0.324 119.023 118.700 -0.002 0.000 2.294 307 N HA 0.012 4.752 4.740 0.000 0.000 0.186 307 N C 0.700 176.206 175.510 -0.007 0.000 1.107 307 N CA -0.223 52.823 53.050 -0.006 0.000 0.884 307 N CB 1.148 39.630 38.487 -0.009 0.000 1.030 307 N HN 0.062 nan 8.380 nan 0.000 0.482 308 I N 2.485 123.053 120.570 -0.003 0.000 2.775 308 I HA -0.102 4.068 4.170 0.000 0.000 0.290 308 I C 1.323 177.439 176.117 -0.001 0.000 1.203 308 I CA 0.741 62.040 61.300 -0.002 0.000 1.433 308 I CB 0.324 38.326 38.000 0.004 0.000 1.354 308 I HN 0.099 nan 8.210 nan 0.000 0.579 309 K N 4.728 125.126 120.400 -0.003 0.000 2.520 309 K HA 0.400 4.720 4.320 0.000 0.000 0.206 309 K C 0.091 176.693 176.600 0.003 0.000 1.122 309 K CA -0.292 55.994 56.287 -0.001 0.000 1.045 309 K CB 0.750 33.246 32.500 -0.007 0.000 0.932 309 K HN 0.533 nan 8.250 nan 0.000 0.571 310 A N 1.644 124.467 122.820 0.006 0.000 2.331 310 A HA 0.262 4.582 4.320 0.000 0.000 0.283 310 A C 0.722 178.313 177.584 0.011 0.000 1.142 310 A CA -0.367 51.675 52.037 0.008 0.000 0.812 310 A CB 0.744 19.749 19.000 0.008 0.000 1.074 310 A HN 0.083 nan 8.150 nan 0.000 0.497 311 K N 1.321 121.728 120.400 0.011 0.000 2.009 311 K HA -0.046 4.274 4.320 0.000 0.000 0.210 311 K C 0.091 176.701 176.600 0.015 0.000 1.049 311 K CA 1.493 57.790 56.287 0.015 0.000 0.929 311 K CB -0.247 32.261 32.500 0.013 0.000 0.714 311 K HN 0.744 nan 8.250 nan 0.000 0.440 312 I N 1.191 121.763 120.570 0.003 0.000 2.354 312 I HA 0.154 4.324 4.170 0.000 0.000 0.292 312 I C -0.869 175.245 176.117 -0.005 0.000 0.989 312 I CA -0.941 60.356 61.300 -0.005 0.000 1.188 312 I CB 1.870 39.852 38.000 -0.030 0.000 1.342 312 I HN -0.259 nan 8.210 nan 0.000 0.457 313 V N 5.945 125.857 119.914 -0.003 0.000 2.333 313 V HA 0.457 4.577 4.120 0.000 0.000 0.274 313 V C 0.514 176.601 176.094 -0.012 0.000 1.028 313 V CA -0.552 61.746 62.300 -0.004 0.000 0.851 313 V CB 1.249 33.072 31.823 -0.001 0.000 1.000 313 V HN 0.839 nan 8.190 nan 0.000 0.456 314 A N 4.202 127.014 122.820 -0.014 0.000 2.316 314 A HA 0.449 4.769 4.320 0.000 0.000 0.311 314 A C 0.405 177.981 177.584 -0.013 0.000 1.339 314 A CA -0.467 51.559 52.037 -0.020 0.000 0.960 314 A CB -0.101 18.884 19.000 -0.025 0.000 1.152 314 A HN 0.848 nan 8.150 nan 0.000 0.547 315 E N 3.170 123.359 120.200 -0.018 0.000 1.842 315 E HA 0.107 4.457 4.350 0.000 0.000 0.278 315 E C 0.129 176.727 176.600 -0.004 0.000 1.171 315 E CA -0.139 56.253 56.400 -0.013 0.000 1.127 315 E CB 0.149 29.833 29.700 -0.026 0.000 1.100 315 E HN 0.687 nan 8.360 nan 0.000 0.456 316 L N 1.419 122.642 121.223 0.000 0.000 2.341 316 L HA 0.028 4.368 4.340 0.000 0.000 0.214 316 L C 0.956 177.832 176.870 0.010 0.000 1.115 316 L CA 0.625 55.467 54.840 0.004 0.000 0.820 316 L CB 0.191 42.250 42.059 0.000 0.000 0.944 316 L HN 0.296 nan 8.230 nan 0.000 0.452 317 A N -1.090 121.736 122.820 0.010 0.000 2.294 317 A HA 0.507 4.827 4.320 0.000 0.000 0.330 317 A C -0.396 177.197 177.584 0.016 0.000 1.133 317 A CA -0.642 51.401 52.037 0.010 0.000 0.836 317 A CB 0.390 19.394 19.000 0.007 0.000 1.190 317 A HN 0.075 nan 8.150 nan 0.000 0.492 318 N N 0.682 119.388 118.700 0.010 0.000 2.411 318 N HA 0.419 5.159 4.740 0.000 0.000 0.259 318 N C 0.752 176.257 175.510 -0.009 0.000 1.103 318 N CA 1.257 54.314 53.050 0.013 0.000 0.954 318 N CB 0.976 39.451 38.487 -0.020 0.000 1.085 318 N HN 1.308 nan 8.380 nan 0.000 0.485 319 G N 3.587 112.398 108.800 0.017 0.000 2.225 319 G HA2 -0.181 3.779 3.960 0.000 0.000 0.264 319 G HA3 -0.181 3.779 3.960 0.000 0.000 0.264 319 G C -1.318 173.585 174.900 0.005 0.000 1.060 319 G CA -0.189 44.918 45.100 0.011 0.000 0.833 319 G HN 0.500 nan 8.290 nan 0.000 0.498 320 P HA 0.041 nan 4.420 nan 0.000 0.222 320 P C 0.835 178.140 177.300 0.008 0.000 1.153 320 P CA 1.116 64.219 63.100 0.006 0.000 0.798 320 P CB 0.402 32.106 31.700 0.006 0.000 0.796 321 T N 0.209 114.770 114.554 0.011 0.000 2.918 321 T HA 0.455 4.805 4.350 0.000 0.000 0.286 321 T C 0.004 174.716 174.700 0.020 0.000 1.026 321 T CA -0.284 61.823 62.100 0.012 0.000 1.031 321 T CB 1.706 70.577 68.868 0.006 0.000 1.046 321 T HN 0.063 nan 8.240 nan 0.000 0.479 322 T N -0.139 114.427 114.554 0.019 0.000 2.912 322 T HA 0.490 4.840 4.350 0.000 0.000 0.288 322 T C -2.126 172.589 174.700 0.025 0.000 1.030 322 T CA -2.260 59.855 62.100 0.024 0.000 1.020 322 T CB 1.559 70.438 68.868 0.019 0.000 1.056 322 T HN 0.134 nan 8.240 nan 0.000 0.480 323 P HA -0.248 nan 4.420 nan 0.000 0.216 323 P C 1.180 178.494 177.300 0.024 0.000 1.167 323 P CA 1.704 64.819 63.100 0.026 0.000 0.933 323 P CB 0.028 31.742 31.700 0.025 0.000 0.793 324 E N -0.111 120.102 120.200 0.022 0.000 2.012 324 E HA -0.193 4.157 4.350 0.000 0.000 0.197 324 E C 2.254 178.869 176.600 0.025 0.000 1.007 324 E CA 1.556 57.969 56.400 0.023 0.000 0.816 324 E CB -1.331 28.380 29.700 0.017 0.000 0.762 324 E HN 0.148 nan 8.360 nan 0.000 0.451 325 A N 1.819 124.652 122.820 0.022 0.000 1.915 325 A HA -0.363 3.957 4.320 0.000 0.000 0.220 325 A C 1.973 179.574 177.584 0.029 0.000 1.198 325 A CA 2.274 54.324 52.037 0.022 0.000 0.647 325 A CB -0.995 18.015 19.000 0.017 0.000 0.825 325 A HN 0.205 nan 8.150 nan 0.000 0.456 326 D N -0.845 119.570 120.400 0.026 0.000 2.149 326 D HA -0.183 4.457 4.640 0.000 0.000 0.194 326 D C 1.923 178.256 176.300 0.056 0.000 1.001 326 D CA 1.774 55.788 54.000 0.024 0.000 0.849 326 D CB -0.253 40.550 40.800 0.005 0.000 0.939 326 D HN 0.694 nan 8.370 nan 0.000 0.449 327 E N -0.332 119.905 120.200 0.061 0.000 2.031 327 E HA -0.128 4.222 4.350 0.000 0.000 0.193 327 E C 2.314 178.971 176.600 0.095 0.000 0.994 327 E CA 0.646 57.101 56.400 0.093 0.000 0.800 327 E CB -0.027 29.712 29.700 0.066 0.000 0.752 327 E HN 0.259 nan 8.360 nan 0.000 0.447 328 I N 0.704 121.310 120.570 0.059 0.000 2.091 328 I HA -0.336 3.834 4.170 0.000 0.000 0.239 328 I C 2.206 178.352 176.117 0.048 0.000 1.061 328 I CA 1.262 62.587 61.300 0.042 0.000 1.317 328 I CB -0.500 37.517 38.000 0.027 0.000 1.031 328 I HN 0.109 nan 8.210 nan 0.000 0.401 329 L N -1.173 120.085 121.223 0.059 0.000 2.042 329 L HA -0.242 4.098 4.340 0.000 0.000 0.210 329 L C 2.642 179.577 176.870 0.108 0.000 1.076 329 L CA 1.476 56.355 54.840 0.063 0.000 0.749 329 L CB -1.332 40.760 42.059 0.055 0.000 0.893 329 L HN 0.184 nan 8.230 nan 0.000 0.432 330 Y N 1.442 121.734 120.300 -0.012 0.000 2.070 330 Y HA -0.289 4.261 4.550 0.000 0.000 0.280 330 Y C 2.524 178.426 175.900 0.003 0.000 1.148 330 Y CA 1.716 59.809 58.100 -0.013 0.000 1.125 330 Y CB -0.600 37.849 38.460 -0.018 0.000 0.975 330 Y HN 0.222 nan 8.280 nan 0.000 0.492 331 E N 0.032 120.187 120.200 -0.074 0.000 2.065 331 E HA -0.279 4.071 4.350 0.000 0.000 0.201 331 E C 2.212 178.742 176.600 -0.116 0.000 1.016 331 E CA 1.885 58.192 56.400 -0.155 0.000 0.818 331 E CB -0.277 29.394 29.700 -0.049 0.000 0.749 331 E HN 0.339 nan 8.360 nan 0.000 0.453 332 K N -0.978 119.397 120.400 -0.042 0.000 2.442 332 K HA -0.110 4.210 4.320 0.000 0.000 0.198 332 K C 0.936 177.524 176.600 -0.020 0.000 1.044 332 K CA 0.637 56.910 56.287 -0.023 0.000 0.948 332 K CB 0.032 32.533 32.500 0.001 0.000 0.762 332 K HN 0.365 nan 8.250 nan 0.000 0.472 333 G N 0.897 109.679 108.800 -0.029 0.000 2.157 333 G HA2 -0.239 3.721 3.960 0.000 0.000 0.248 333 G HA3 -0.239 3.721 3.960 0.000 0.000 0.248 333 G C 0.131 175.060 174.900 0.048 0.000 0.979 333 G CA -0.101 44.997 45.100 -0.004 0.000 0.650 333 G HN 0.239 nan 8.290 nan 0.000 0.529 334 I N 1.397 122.000 120.570 0.055 0.000 2.379 334 I HA 0.224 4.394 4.170 0.000 0.000 0.290 334 I C 0.685 176.845 176.117 0.071 0.000 1.063 334 I CA -0.819 60.513 61.300 0.054 0.000 1.351 334 I CB 0.933 38.956 38.000 0.039 0.000 1.410 334 I HN 0.035 nan 8.210 nan 0.000 0.505 335 L N 9.001 130.264 121.223 0.067 0.000 2.418 335 L HA 0.294 4.634 4.340 0.000 0.000 0.274 335 L C -0.197 176.689 176.870 0.026 0.000 1.135 335 L CA 0.570 55.449 54.840 0.064 0.000 0.870 335 L CB 0.100 42.217 42.059 0.096 0.000 1.154 335 L HN 0.376 nan 8.230 nan 0.000 0.462 336 I N 6.246 126.812 120.570 -0.007 0.000 2.433 336 I HA 0.308 4.479 4.170 0.000 0.000 0.292 336 I C -0.413 175.681 176.117 -0.038 0.000 1.001 336 I CA -0.636 60.648 61.300 -0.027 0.000 1.119 336 I CB 1.733 39.704 38.000 -0.049 0.000 1.289 336 I HN 0.486 nan 8.210 nan 0.000 0.438 337 I N 8.580 129.137 120.570 -0.022 0.000 2.310 337 I HA 0.247 4.417 4.170 0.000 0.000 0.287 337 I C -2.198 173.876 176.117 -0.073 0.000 1.073 337 I CA -1.892 59.400 61.300 -0.013 0.000 1.216 337 I CB 0.383 38.397 38.000 0.023 0.000 1.415 337 I HN 0.209 nan 8.210 nan 0.000 0.480 338 P HA -0.123 nan 4.420 nan 0.000 0.261 338 P C 0.616 177.771 177.300 -0.241 0.000 1.165 338 P CA 0.256 63.194 63.100 -0.270 0.000 0.759 338 P CB 0.417 31.817 31.700 -0.499 0.000 0.772 339 D N 4.311 124.612 120.400 -0.165 0.000 2.154 339 D HA -0.277 4.363 4.640 0.000 0.000 0.190 339 D C 1.508 177.816 176.300 0.012 0.000 1.003 339 D CA 1.706 55.680 54.000 -0.043 0.000 0.849 339 D CB -1.044 39.780 40.800 0.039 0.000 0.942 339 D HN 0.460 nan 8.370 nan 0.000 0.446 340 F N 0.866 120.868 119.950 0.088 0.000 2.494 340 F HA 0.075 4.602 4.527 0.000 0.000 0.298 340 F C 1.942 177.742 175.800 -0.000 0.000 1.106 340 F CA 0.303 58.328 58.000 0.043 0.000 1.452 340 F CB -0.771 38.222 39.000 -0.011 0.000 1.085 340 F HN 0.085 nan 8.300 nan 0.000 0.569 341 L N 0.032 121.342 121.223 0.145 0.000 2.262 341 L HA 0.158 4.499 4.340 0.000 0.000 0.197 341 L C 2.282 179.207 176.870 0.092 0.000 1.073 341 L CA 1.394 56.321 54.840 0.145 0.000 0.800 341 L CB -1.197 40.910 42.059 0.079 0.000 0.987 341 L HN 0.250 nan 8.230 nan 0.000 0.470 342 C N 2.110 121.434 119.300 0.041 0.000 2.422 342 C HA -0.050 4.410 4.460 0.000 0.000 0.279 342 C C 1.873 176.881 174.990 0.031 0.000 1.305 342 C CA 1.120 60.156 59.018 0.029 0.000 1.757 342 C CB -1.615 26.124 27.740 -0.001 0.000 1.962 342 C HN 0.883 nan 8.230 nan 0.000 0.499 343 N N 0.060 118.788 118.700 0.047 0.000 2.389 343 N HA 0.340 5.080 4.740 0.000 0.000 0.260 343 N C 0.318 175.862 175.510 0.056 0.000 1.191 343 N CA 0.623 53.698 53.050 0.041 0.000 0.885 343 N CB -0.192 38.320 38.487 0.041 0.000 1.162 343 N HN 0.336 nan 8.380 nan 0.000 0.512 344 A N -0.722 122.138 122.820 0.067 0.000 2.275 344 A HA 0.387 4.707 4.320 0.000 0.000 0.212 344 A C 1.984 179.591 177.584 0.038 0.000 1.201 344 A CA 0.374 52.450 52.037 0.065 0.000 0.843 344 A CB -0.656 18.396 19.000 0.086 0.000 0.873 344 A HN 0.406 nan 8.150 nan 0.000 0.492 345 G N 0.389 109.210 108.800 0.035 0.000 2.440 345 G HA2 -0.054 3.906 3.960 0.000 0.000 0.218 345 G HA3 -0.054 3.906 3.960 0.000 0.000 0.218 345 G C 1.490 176.390 174.900 0.001 0.000 1.154 345 G CA 1.212 46.328 45.100 0.028 0.000 0.767 345 G HN 0.600 nan 8.290 nan 0.000 0.552 346 G N 0.634 109.432 108.800 -0.004 0.000 2.446 346 G HA2 -0.178 3.782 3.960 0.000 0.000 0.217 346 G HA3 -0.178 3.782 3.960 0.000 0.000 0.217 346 G C 1.968 176.861 174.900 -0.012 0.000 1.168 346 G CA 2.220 47.312 45.100 -0.012 0.000 0.771 346 G HN 0.904 nan 8.290 nan 0.000 0.551 347 V N -1.381 118.531 119.914 -0.004 0.000 2.667 347 V HA -0.034 4.086 4.120 0.000 0.000 0.252 347 V C 2.542 178.638 176.094 0.003 0.000 1.065 347 V CA 2.474 64.777 62.300 0.006 0.000 1.083 347 V CB -0.945 30.885 31.823 0.010 0.000 0.692 347 V HN 0.248 nan 8.190 nan 0.000 0.468 348 T N 0.831 115.349 114.554 -0.060 0.000 2.701 348 T HA -0.094 4.256 4.350 0.000 0.000 0.263 348 T C 1.994 176.451 174.700 -0.405 0.000 1.040 348 T CA 1.902 63.880 62.100 -0.203 0.000 1.147 348 T CB -0.352 68.396 68.868 -0.201 0.000 0.865 348 T HN 0.360 nan 8.240 nan 0.000 0.426 349 V N 2.456 122.235 119.914 -0.225 0.000 2.594 349 V HA -0.165 3.955 4.120 0.000 0.000 0.253 349 V C 2.768 178.868 176.094 0.012 0.000 1.069 349 V CA 1.948 64.202 62.300 -0.076 0.000 1.082 349 V CB -0.826 31.034 31.823 0.062 0.000 0.680 349 V HN 0.668 nan 8.190 nan 0.000 0.469 350 S N -0.613 115.097 115.700 0.016 0.000 2.428 350 S HA -0.230 4.240 4.470 0.000 0.000 0.230 350 S C 1.945 176.648 174.600 0.171 0.000 1.014 350 S CA 1.405 59.645 58.200 0.067 0.000 0.957 350 S CB -0.637 62.583 63.200 0.033 0.000 0.784 350 S HN 0.687 nan 8.310 nan 0.000 0.499 351 Y N 2.027 122.368 120.300 0.068 0.000 2.220 351 Y HA 0.066 4.616 4.550 0.000 0.000 0.291 351 Y C 1.712 177.832 175.900 0.366 0.000 1.129 351 Y CA 0.720 58.954 58.100 0.223 0.000 1.161 351 Y CB -0.705 37.773 38.460 0.029 0.000 0.997 351 Y HN 0.160 nan 8.280 nan 0.000 0.522 352 F N 1.441 121.317 119.950 -0.124 0.000 2.120 352 F HA -0.196 4.332 4.527 0.000 0.000 0.300 352 F C 2.634 178.181 175.800 -0.423 0.000 1.095 352 F CA 1.616 59.416 58.000 -0.334 0.000 1.249 352 F CB -1.326 37.586 39.000 -0.147 0.000 0.995 352 F HN 0.285 nan 8.300 nan 0.000 0.480 353 E N -0.895 119.311 120.200 0.010 0.000 2.077 353 E HA -0.285 4.065 4.350 0.000 0.000 0.193 353 E C 2.274 178.874 176.600 -0.001 0.000 0.989 353 E CA 1.509 57.885 56.400 -0.039 0.000 0.800 353 E CB -0.515 29.207 29.700 0.036 0.000 0.746 353 E HN 0.478 nan 8.360 nan 0.000 0.452 354 W N 0.577 121.815 121.300 -0.104 0.000 2.381 354 W HA -0.179 4.481 4.660 0.000 0.000 0.301 354 W C 1.869 178.312 176.519 -0.127 0.000 1.205 354 W CA 1.400 58.710 57.345 -0.059 0.000 1.285 354 W CB -0.389 29.125 29.460 0.090 0.000 1.133 354 W HN -0.101 nan 8.180 nan 0.000 0.521 355 V N 1.410 121.222 119.914 -0.170 0.000 2.287 355 V HA -0.381 3.740 4.120 0.000 0.000 0.248 355 V C 2.371 178.216 176.094 -0.415 0.000 1.053 355 V CA 2.564 64.631 62.300 -0.388 0.000 1.027 355 V CB -1.178 30.505 31.823 -0.234 0.000 0.646 355 V HN 0.300 nan 8.190 nan 0.000 0.447 356 Q N -0.063 119.409 119.800 -0.546 0.000 2.124 356 Q HA -0.221 4.119 4.340 0.000 0.000 0.202 356 Q C 2.076 177.626 176.000 -0.750 0.000 0.977 356 Q CA 1.908 57.245 55.803 -0.777 0.000 0.850 356 Q CB -0.384 27.713 28.738 -1.067 0.000 0.901 356 Q HN 0.753 nan 8.270 nan 0.000 0.429 357 N N 1.018 119.474 118.700 -0.407 0.000 2.058 357 N HA -0.138 4.602 4.740 0.000 0.000 0.191 357 N C 2.080 177.462 175.510 -0.213 0.000 1.037 357 N CA 1.426 54.389 53.050 -0.146 0.000 0.848 357 N CB -0.282 38.226 38.487 0.036 0.000 1.021 357 N HN 0.350 nan 8.380 nan 0.000 0.422 358 I N -0.600 119.760 120.570 -0.349 0.000 2.676 358 I HA -0.064 4.106 4.170 0.000 0.000 0.259 358 I C 2.048 178.027 176.117 -0.229 0.000 1.194 358 I CA 1.236 62.342 61.300 -0.322 0.000 1.473 358 I CB -0.580 37.123 38.000 -0.496 0.000 1.096 358 I HN 0.113 nan 8.210 nan 0.000 0.443 359 T N -2.381 112.020 114.554 -0.256 0.000 3.057 359 T HA 0.348 4.698 4.350 0.000 0.000 0.254 359 T C 1.711 176.322 174.700 -0.148 0.000 1.094 359 T CA 0.576 62.574 62.100 -0.170 0.000 1.088 359 T CB 0.115 68.904 68.868 -0.131 0.000 0.934 359 T HN 0.677 nan 8.240 nan 0.000 0.497 360 G N 1.219 109.890 108.800 -0.215 0.000 2.162 360 G HA2 -0.221 3.739 3.960 0.000 0.000 0.260 360 G HA3 -0.221 3.739 3.960 0.000 0.000 0.260 360 G C -0.252 174.588 174.900 -0.100 0.000 0.976 360 G CA 0.203 45.239 45.100 -0.107 0.000 0.655 360 G HN 0.721 nan 8.290 nan 0.000 0.533 361 D N 0.046 120.295 120.400 -0.252 0.000 2.392 361 D HA 0.566 5.206 4.640 0.000 0.000 0.228 361 D C -0.216 175.942 176.300 -0.237 0.000 1.074 361 D CA -0.531 53.419 54.000 -0.083 0.000 0.838 361 D CB 0.296 41.115 40.800 0.031 0.000 1.067 361 D HN 0.186 nan 8.370 nan 0.000 0.511 362 Y N 2.003 122.346 120.300 0.072 0.000 2.352 362 Y HA 0.463 5.013 4.550 0.000 0.000 0.326 362 Y C 0.303 176.326 175.900 0.206 0.000 1.166 362 Y CA -0.697 57.405 58.100 0.002 0.000 1.182 362 Y CB 0.911 39.355 38.460 -0.026 0.000 1.216 362 Y HN 0.262 nan 8.280 nan 0.000 0.474 363 W N 0.252 121.605 121.300 0.088 0.000 2.594 363 W HA 0.504 5.164 4.660 0.000 0.000 0.365 363 W C -0.048 176.493 176.519 0.036 0.000 1.196 363 W CA -1.619 55.738 57.345 0.019 0.000 1.258 363 W CB 0.136 29.558 29.460 -0.062 0.000 1.405 363 W HN 0.441 nan 8.180 nan 0.000 0.640 364 T N -1.427 113.290 114.554 0.272 0.000 2.913 364 T HA 0.257 4.608 4.350 0.000 0.000 0.287 364 T C 1.026 175.819 174.700 0.156 0.000 1.008 364 T CA -0.197 61.997 62.100 0.157 0.000 1.067 364 T CB 1.488 70.414 68.868 0.096 0.000 0.996 364 T HN 0.518 nan 8.240 nan 0.000 0.513 365 V N 0.919 120.900 119.914 0.112 0.000 2.380 365 V HA -0.191 3.929 4.120 0.000 0.000 0.251 365 V C 2.129 178.286 176.094 0.105 0.000 1.063 365 V CA 2.147 64.511 62.300 0.106 0.000 1.055 365 V CB -1.251 30.616 31.823 0.073 0.000 0.657 365 V HN 0.928 nan 8.190 nan 0.000 0.455 366 E N 0.665 120.912 120.200 0.078 0.000 2.209 366 E HA -0.182 4.168 4.350 0.000 0.000 0.196 366 E C 2.108 178.735 176.600 0.045 0.000 0.993 366 E CA 1.904 58.339 56.400 0.058 0.000 0.819 366 E CB -0.311 29.411 29.700 0.036 0.000 0.745 366 E HN 0.832 nan 8.360 nan 0.000 0.477 367 E N -0.132 120.098 120.200 0.050 0.000 2.060 367 E HA -0.053 4.297 4.350 0.000 0.000 0.189 367 E C 2.006 178.619 176.600 0.021 0.000 0.974 367 E CA 1.336 57.723 56.400 -0.021 0.000 0.808 367 E CB -0.010 29.649 29.700 -0.068 0.000 0.768 367 E HN 0.161 nan 8.360 nan 0.000 0.453 368 T N 1.142 115.814 114.554 0.197 0.000 2.684 368 T HA -0.199 4.151 4.350 0.000 0.000 0.267 368 T C 1.888 176.717 174.700 0.214 0.000 1.036 368 T CA 1.386 63.629 62.100 0.238 0.000 1.148 368 T CB -0.193 68.835 68.868 0.266 0.000 0.863 368 T HN 0.042 nan 8.240 nan 0.000 0.436 369 R N 0.674 121.285 120.500 0.185 0.000 2.081 369 R HA -0.013 4.327 4.340 0.000 0.000 0.235 369 R C 2.726 179.124 176.300 0.164 0.000 1.131 369 R CA 1.319 57.545 56.100 0.210 0.000 0.960 369 R CB -0.552 29.849 30.300 0.168 0.000 0.856 369 R HN 0.413 nan 8.270 nan 0.000 0.436 370 A N 1.358 124.220 122.820 0.070 0.000 1.859 370 A HA -0.242 4.078 4.320 0.000 0.000 0.217 370 A C 1.863 179.451 177.584 0.008 0.000 1.198 370 A CA 1.854 53.892 52.037 0.000 0.000 0.629 370 A CB -0.474 18.499 19.000 -0.045 0.000 0.830 370 A HN 0.279 nan 8.150 nan 0.000 0.446 371 K N -0.855 119.551 120.400 0.011 0.000 2.152 371 K HA -0.158 4.162 4.320 0.000 0.000 0.206 371 K C 1.887 178.717 176.600 0.383 0.000 1.048 371 K CA 1.437 57.778 56.287 0.090 0.000 0.933 371 K CB -0.468 31.903 32.500 -0.214 0.000 0.721 371 K HN 0.432 nan 8.250 nan 0.000 0.447 372 L N 1.955 123.462 121.223 0.473 0.000 2.093 372 L HA -0.155 4.185 4.340 0.000 0.000 0.208 372 L C 2.021 179.021 176.870 0.216 0.000 1.085 372 L CA 1.824 56.958 54.840 0.489 0.000 0.755 372 L CB -0.470 41.903 42.059 0.523 0.000 0.904 372 L HN 0.134 nan 8.230 nan 0.000 0.435 373 D N -0.302 120.045 120.400 -0.088 0.000 2.097 373 D HA -0.220 4.420 4.640 0.000 0.000 0.197 373 D C 2.030 178.207 176.300 -0.204 0.000 0.984 373 D CA 1.359 54.981 54.000 -0.631 0.000 0.826 373 D CB 0.155 40.485 40.800 -0.784 0.000 0.973 373 D HN 0.350 nan 8.370 nan 0.000 0.460 374 K N 0.364 120.737 120.400 -0.045 0.000 2.020 374 K HA -0.135 4.185 4.320 0.000 0.000 0.212 374 K C 2.387 179.043 176.600 0.092 0.000 1.050 374 K CA 1.339 57.645 56.287 0.032 0.000 0.929 374 K CB 0.063 32.597 32.500 0.058 0.000 0.714 374 K HN 0.077 nan 8.250 nan 0.000 0.443 375 K N -0.062 120.426 120.400 0.146 0.000 2.057 375 K HA -0.099 4.221 4.320 0.000 0.000 0.207 375 K C 2.136 178.821 176.600 0.142 0.000 1.049 375 K CA 1.203 57.580 56.287 0.150 0.000 0.931 375 K CB -0.125 32.478 32.500 0.172 0.000 0.714 375 K HN 0.155 nan 8.250 nan 0.000 0.440 376 M N 0.561 120.257 119.600 0.159 0.000 2.132 376 M HA -0.097 4.383 4.480 0.000 0.000 0.263 376 M C 2.250 178.661 176.300 0.184 0.000 1.065 376 M CA 1.654 57.067 55.300 0.189 0.000 1.122 376 M CB -1.499 31.286 32.600 0.309 0.000 1.365 376 M HN 0.086 nan 8.290 nan 0.000 0.411 377 T N 0.645 115.290 114.554 0.152 0.000 2.674 377 T HA -0.164 4.186 4.350 0.000 0.000 0.265 377 T C 1.992 176.902 174.700 0.352 0.000 1.039 377 T CA 1.393 63.628 62.100 0.224 0.000 1.150 377 T CB -0.151 68.820 68.868 0.172 0.000 0.864 377 T HN 0.314 nan 8.240 nan 0.000 0.427 378 K N 0.930 121.484 120.400 0.257 0.000 2.097 378 K HA -0.038 4.283 4.320 0.000 0.000 0.206 378 K C 2.475 179.226 176.600 0.251 0.000 1.049 378 K CA 1.286 57.730 56.287 0.260 0.000 0.933 378 K CB -0.326 32.270 32.500 0.159 0.000 0.717 378 K HN 0.306 nan 8.250 nan 0.000 0.442 379 A N 0.692 123.630 122.820 0.197 0.000 1.930 379 A HA -0.157 4.163 4.320 0.000 0.000 0.217 379 A C 1.943 179.616 177.584 0.149 0.000 1.175 379 A CA 1.112 53.241 52.037 0.153 0.000 0.627 379 A CB -0.670 18.405 19.000 0.125 0.000 0.815 379 A HN 0.471 nan 8.150 nan 0.000 0.443 380 F N -0.648 119.309 119.950 0.012 0.000 2.075 380 F HA -0.186 4.341 4.527 0.000 0.000 0.297 380 F C 1.977 177.719 175.800 -0.097 0.000 1.113 380 F CA 1.816 59.741 58.000 -0.125 0.000 1.218 380 F CB -0.624 38.176 39.000 -0.335 0.000 0.984 380 F HN 0.375 nan 8.300 nan 0.000 0.472 381 W N 1.071 122.430 121.300 0.099 0.000 2.335 381 W HA -0.195 4.465 4.660 0.000 0.000 0.311 381 W C 2.376 178.889 176.519 -0.010 0.000 1.213 381 W CA 1.295 58.660 57.345 0.034 0.000 1.274 381 W CB -0.818 28.734 29.460 0.154 0.000 1.148 381 W HN -0.008 nan 8.180 nan 0.000 0.498 382 D N -0.099 120.437 120.400 0.228 0.000 2.149 382 D HA -0.189 4.452 4.640 0.000 0.000 0.194 382 D C 2.143 178.468 176.300 0.042 0.000 1.001 382 D CA 1.747 55.821 54.000 0.123 0.000 0.849 382 D CB -0.700 40.158 40.800 0.096 0.000 0.939 382 D HN 0.015 nan 8.370 nan 0.000 0.449 383 V N -0.176 119.719 119.914 -0.032 0.000 2.488 383 V HA -0.189 3.931 4.120 0.000 0.000 0.246 383 V C 2.019 178.045 176.094 -0.113 0.000 1.046 383 V CA 0.900 63.152 62.300 -0.081 0.000 1.053 383 V CB -0.595 31.167 31.823 -0.102 0.000 0.679 383 V HN 0.160 nan 8.190 nan 0.000 0.458 384 Y N 1.953 122.023 120.300 -0.384 0.000 2.165 384 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 384 Y C 2.294 178.204 175.900 0.017 0.000 1.155 384 Y CA 2.209 60.127 58.100 -0.303 0.000 1.164 384 Y CB -0.524 37.479 38.460 -0.761 0.000 0.978 384 Y HN 0.367 nan 8.280 nan 0.000 0.513 385 N N -1.512 117.223 118.700 0.059 0.000 2.188 385 N HA -0.161 4.579 4.740 0.000 0.000 0.184 385 N C 1.610 177.063 175.510 -0.095 0.000 1.018 385 N CA 1.483 54.536 53.050 0.005 0.000 0.858 385 N CB -0.217 38.343 38.487 0.121 0.000 0.989 385 N HN 0.258 nan 8.380 nan 0.000 0.426 386 T N -0.197 114.318 114.554 -0.065 0.000 2.821 386 T HA -0.172 4.178 4.350 0.000 0.000 0.267 386 T C 1.706 176.331 174.700 -0.126 0.000 1.046 386 T CA 1.395 63.450 62.100 -0.074 0.000 1.139 386 T CB -0.331 68.508 68.868 -0.049 0.000 0.871 386 T HN 0.513 nan 8.240 nan 0.000 0.454 387 H N 0.784 119.711 119.070 -0.237 0.000 2.423 387 H HA 0.174 4.730 4.556 0.000 0.000 0.297 387 H C 2.178 177.351 175.328 -0.259 0.000 1.075 387 H CA 1.492 57.365 56.048 -0.290 0.000 1.342 387 H CB -0.032 29.510 29.762 -0.367 0.000 1.395 387 H HN 0.189 nan 8.280 nan 0.000 0.530 388 K N -0.007 119.845 120.400 -0.913 0.000 2.021 388 K HA -0.105 4.215 4.320 0.000 0.000 0.205 388 K C 2.345 178.741 176.600 -0.340 0.000 1.047 388 K CA 1.181 57.005 56.287 -0.771 0.000 0.943 388 K CB 0.063 32.208 32.500 -0.591 0.000 0.725 388 K HN 0.616 nan 8.250 nan 0.000 0.439 389 E N 0.864 120.929 120.200 -0.226 0.000 2.110 389 E HA -0.207 4.143 4.350 0.000 0.000 0.193 389 E C 1.273 177.813 176.600 -0.100 0.000 0.988 389 E CA 1.398 57.724 56.400 -0.123 0.000 0.804 389 E CB 0.092 29.745 29.700 -0.079 0.000 0.745 389 E HN 0.061 nan 8.360 nan 0.000 0.458 390 K N -0.035 120.296 120.400 -0.115 0.000 2.393 390 K HA 0.059 4.379 4.320 0.000 0.000 0.193 390 K C 0.100 176.661 176.600 -0.065 0.000 1.026 390 K CA 0.532 56.777 56.287 -0.070 0.000 1.064 390 K CB 0.054 32.516 32.500 -0.065 0.000 0.833 390 K HN 0.211 nan 8.250 nan 0.000 0.521 391 N N 1.261 119.895 118.700 -0.109 0.000 2.754 391 N HA -0.146 4.595 4.740 0.000 0.000 0.248 391 N C -0.588 174.939 175.510 0.029 0.000 1.093 391 N CA 0.332 53.368 53.050 -0.022 0.000 0.699 391 N CB -1.030 37.472 38.487 0.025 0.000 1.016 391 N HN 0.347 nan 8.380 nan 0.000 0.552 392 I N -2.961 117.547 120.570 -0.104 0.000 3.023 392 I HA 0.472 4.642 4.170 0.000 0.000 0.312 392 I C 0.476 176.301 176.117 -0.488 0.000 1.056 392 I CA -1.202 59.914 61.300 -0.306 0.000 1.033 392 I CB 1.399 39.083 38.000 -0.528 0.000 1.233 392 I HN 0.190 nan 8.210 nan 0.000 0.462 393 N N 2.468 120.673 118.700 -0.824 0.000 2.371 393 N HA 0.127 4.867 4.740 0.000 0.000 0.243 393 N C 0.689 175.881 175.510 -0.531 0.000 1.287 393 N CA -0.593 51.892 53.050 -0.942 0.000 0.911 393 N CB 0.637 38.671 38.487 -0.754 0.000 1.142 393 N HN 0.647 nan 8.380 nan 0.000 0.451 394 M N -0.105 119.186 119.600 -0.516 0.000 2.108 394 M HA -0.165 4.315 4.480 0.000 0.000 0.261 394 M C 2.181 178.338 176.300 -0.239 0.000 1.066 394 M CA 1.590 56.674 55.300 -0.360 0.000 1.107 394 M CB -0.878 31.529 32.600 -0.323 0.000 1.356 394 M HN 0.768 nan 8.290 nan 0.000 0.406 395 R N 0.474 120.840 120.500 -0.224 0.000 2.096 395 R HA -0.169 4.172 4.340 0.000 0.000 0.235 395 R C 1.555 177.849 176.300 -0.010 0.000 1.127 395 R CA 1.703 57.709 56.100 -0.156 0.000 0.968 395 R CB -0.029 30.198 30.300 -0.123 0.000 0.861 395 R HN 0.313 nan 8.270 nan 0.000 0.440 396 D N 0.281 120.605 120.400 -0.126 0.000 2.091 396 D HA -0.089 4.551 4.640 0.000 0.000 0.199 396 D C 1.831 178.059 176.300 -0.120 0.000 0.980 396 D CA 1.540 55.445 54.000 -0.158 0.000 0.831 396 D CB -0.452 40.079 40.800 -0.447 0.000 0.987 396 D HN 0.342 nan 8.370 nan 0.000 0.460 397 A N 1.404 124.114 122.820 -0.183 0.000 1.927 397 A HA -0.219 4.101 4.320 0.000 0.000 0.220 397 A C 2.313 179.868 177.584 -0.049 0.000 1.185 397 A CA 2.838 54.802 52.037 -0.123 0.000 0.639 397 A CB -0.846 18.088 19.000 -0.110 0.000 0.820 397 A HN 0.269 nan 8.150 nan 0.000 0.451 398 A N -1.627 121.180 122.820 -0.022 0.000 1.845 398 A HA -0.112 4.208 4.320 0.000 0.000 0.215 398 A C 2.087 179.717 177.584 0.076 0.000 1.195 398 A CA 1.651 53.727 52.037 0.066 0.000 0.616 398 A CB -0.979 18.081 19.000 0.100 0.000 0.832 398 A HN 0.572 nan 8.150 nan 0.000 0.443 399 Y N -0.030 120.284 120.300 0.024 0.000 2.193 399 Y HA -0.233 4.317 4.550 0.000 0.000 0.285 399 Y C 2.636 178.400 175.900 -0.226 0.000 1.166 399 Y CA 1.770 59.769 58.100 -0.168 0.000 1.181 399 Y CB -0.402 37.932 38.460 -0.209 0.000 0.976 399 Y HN 0.108 nan 8.280 nan 0.000 0.520 400 V N -1.456 118.474 119.914 0.026 0.000 2.244 400 V HA -0.288 3.832 4.120 0.000 0.000 0.244 400 V C 2.262 178.342 176.094 -0.023 0.000 1.042 400 V CA 1.657 63.948 62.300 -0.015 0.000 1.006 400 V CB -0.965 30.850 31.823 -0.013 0.000 0.641 400 V HN 0.199 nan 8.190 nan 0.000 0.446 401 V N 0.330 120.234 119.914 -0.016 0.000 2.278 401 V HA -0.369 3.751 4.120 0.000 0.000 0.251 401 V C 2.651 178.737 176.094 -0.013 0.000 1.062 401 V CA 2.461 64.757 62.300 -0.006 0.000 1.038 401 V CB -1.188 30.636 31.823 0.002 0.000 0.646 401 V HN 0.593 nan 8.190 nan 0.000 0.447 402 A N -0.358 122.432 122.820 -0.050 0.000 1.841 402 A HA -0.151 4.170 4.320 0.000 0.000 0.214 402 A C 2.342 179.921 177.584 -0.009 0.000 1.195 402 A CA 2.082 54.087 52.037 -0.053 0.000 0.611 402 A CB -0.829 18.068 19.000 -0.172 0.000 0.835 402 A HN 0.339 nan 8.150 nan 0.000 0.443 403 V N 1.372 121.213 119.914 -0.123 0.000 2.392 403 V HA -0.287 3.833 4.120 0.000 0.000 0.249 403 V C 2.827 178.954 176.094 0.056 0.000 1.059 403 V CA 2.414 64.656 62.300 -0.097 0.000 1.051 403 V CB -1.342 30.318 31.823 -0.272 0.000 0.658 403 V HN 0.695 nan 8.190 nan 0.000 0.455 404 S N 0.513 116.245 115.700 0.053 0.000 2.370 404 S HA -0.262 4.208 4.470 0.000 0.000 0.226 404 S C 2.028 176.696 174.600 0.114 0.000 1.033 404 S CA 1.566 59.842 58.200 0.126 0.000 1.011 404 S CB -0.490 62.757 63.200 0.080 0.000 0.852 404 S HN 0.573 nan 8.310 nan 0.000 0.457 405 R N 0.543 121.085 120.500 0.070 0.000 2.096 405 R HA 0.006 4.346 4.340 0.000 0.000 0.235 405 R C 2.250 178.584 176.300 0.055 0.000 1.127 405 R CA 1.320 57.446 56.100 0.044 0.000 0.968 405 R CB -0.604 29.715 30.300 0.033 0.000 0.861 405 R HN 0.337 nan 8.270 nan 0.000 0.440 406 V N -0.032 119.953 119.914 0.119 0.000 2.379 406 V HA -0.233 3.888 4.120 0.000 0.000 0.245 406 V C 1.910 178.089 176.094 0.141 0.000 1.044 406 V CA 1.429 63.817 62.300 0.147 0.000 1.036 406 V CB -0.659 31.335 31.823 0.285 0.000 0.664 406 V HN 0.272 nan 8.190 nan 0.000 0.453 407 Y N 1.447 121.760 120.300 0.021 0.000 2.089 407 Y HA -0.281 4.269 4.550 0.000 0.000 0.282 407 Y C 2.671 178.537 175.900 -0.058 0.000 1.139 407 Y CA 2.144 60.239 58.100 -0.009 0.000 1.123 407 Y CB -0.836 37.623 38.460 -0.001 0.000 0.980 407 Y HN 0.224 nan 8.280 nan 0.000 0.493 408 Q N 0.521 120.246 119.800 -0.125 0.000 2.029 408 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 408 Q C 2.495 178.366 176.000 -0.215 0.000 0.999 408 Q CA 2.665 58.329 55.803 -0.232 0.000 0.857 408 Q CB -1.158 27.505 28.738 -0.126 0.000 0.926 408 Q HN 0.579 nan 8.270 nan 0.000 0.415 409 A N -0.096 122.627 122.820 -0.163 0.000 1.873 409 A HA -0.274 4.046 4.320 0.000 0.000 0.218 409 A C 2.137 179.486 177.584 -0.391 0.000 1.193 409 A CA 2.461 54.358 52.037 -0.232 0.000 0.629 409 A CB -0.763 18.127 19.000 -0.182 0.000 0.826 409 A HN 0.550 nan 8.150 nan 0.000 0.447 410 M N -1.207 118.166 119.600 -0.378 0.000 2.279 410 M HA -0.123 4.357 4.480 0.000 0.000 0.264 410 M C 2.072 178.151 176.300 -0.369 0.000 1.062 410 M CA 1.732 56.718 55.300 -0.524 0.000 1.099 410 M CB -0.266 32.186 32.600 -0.247 0.000 1.394 410 M HN 0.380 nan 8.290 nan 0.000 0.426 411 K N 0.837 121.063 120.400 -0.289 0.000 1.965 411 K HA -0.139 4.181 4.320 0.000 0.000 0.214 411 K C 1.517 177.982 176.600 -0.225 0.000 1.042 411 K CA 1.733 57.871 56.287 -0.248 0.000 0.950 411 K CB -0.092 32.210 32.500 -0.331 0.000 0.733 411 K HN 0.101 nan 8.250 nan 0.000 0.441 412 D N 0.322 120.587 120.400 -0.226 0.000 2.263 412 D HA -0.231 4.409 4.640 0.000 0.000 0.193 412 D C 1.845 178.034 176.300 -0.186 0.000 1.013 412 D CA 1.466 55.358 54.000 -0.181 0.000 0.892 412 D CB -0.138 40.562 40.800 -0.166 0.000 0.909 412 D HN 0.238 nan 8.370 nan 0.000 0.449 413 R N -0.787 119.536 120.500 -0.295 0.000 2.193 413 R HA 0.149 4.489 4.340 0.000 0.000 0.213 413 R C 1.387 177.597 176.300 -0.150 0.000 1.055 413 R CA 0.689 56.610 56.100 -0.298 0.000 0.995 413 R CB 0.156 30.038 30.300 -0.697 0.000 0.893 413 R HN 0.203 nan 8.270 nan 0.000 0.459 414 G N 0.033 108.750 108.800 -0.138 0.000 2.212 414 G HA2 -0.193 3.767 3.960 0.000 0.000 0.255 414 G HA3 -0.193 3.767 3.960 0.000 0.000 0.255 414 G C 0.115 175.089 174.900 0.124 0.000 1.062 414 G CA 0.040 45.132 45.100 -0.012 0.000 0.815 414 G HN 0.309 nan 8.290 nan 0.000 0.497 415 W N -0.176 121.041 121.300 -0.139 0.000 2.476 415 W HA 0.360 5.020 4.660 0.000 0.000 0.281 415 W C 1.791 178.198 176.519 -0.187 0.000 1.230 415 W CA 1.036 58.258 57.345 -0.204 0.000 1.287 415 W CB -0.133 29.049 29.460 -0.463 0.000 1.108 415 W HN 0.652 nan 8.180 nan 0.000 0.567 416 I N -2.614 117.994 120.570 0.064 0.000 2.828 416 I HA 0.468 4.638 4.170 0.000 0.000 0.302 416 I C 0.779 176.921 176.117 0.040 0.000 1.101 416 I CA -0.959 60.374 61.300 0.056 0.000 1.031 416 I CB 2.060 40.094 38.000 0.058 0.000 1.231 416 I HN -0.478 nan 8.210 nan 0.000 0.427 417 K N 2.583 123.013 120.400 0.050 0.000 2.379 417 K HA 0.224 4.545 4.320 0.000 0.000 0.194 417 K C 0.131 176.742 176.600 0.019 0.000 1.031 417 K CA 0.671 56.974 56.287 0.028 0.000 1.037 417 K CB -0.162 32.358 32.500 0.033 0.000 0.824 417 K HN 0.756 nan 8.250 nan 0.000 0.516 418 K N 0.000 120.431 120.400 0.052 0.000 2.780 418 K HA 0.000 4.320 4.320 0.000 0.000 0.191 418 K CA 0.000 56.327 56.287 0.066 0.000 0.838 418 K CB 0.000 32.537 32.500 0.062 0.000 1.064 418 K HN 0.000 nan 8.250 nan 0.000 0.543