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 2c6s_1_N DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLXX DATA SEQUENCE XXXXXXXXXX XXXLKPVIKP LTEDSKKRSY NLISNDSTFT QYRSWYLAYN DATA SEQUENCE YGDPQTGIRS WTLLCTPDVT CGSEQVYWSL PDMMQDPVTF RSTSQISNFP DATA SEQUENCE VVGAELLPVH SKSFYNDQAV YSQLIRQFTS LTHVFNRFPE NQILARPPAP DATA SEQUENCE TITTVSENVP ALTDHGTLPL RNSIGGVQRV TITDARRRTC PYVYKALGIV DATA SEQUENCE SPRVLSSRT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.673 174.700 -0.046 0.000 1.109 49 T CA 0.000 62.055 62.100 -0.075 0.000 1.349 49 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 50 G N 1.386 110.172 108.800 -0.023 0.000 2.559 50 G HA2 0.333 4.292 3.960 -0.001 0.000 0.216 50 G HA3 0.333 4.292 3.960 -0.001 0.000 0.216 50 G C 1.051 175.945 174.900 -0.009 0.000 1.126 50 G CA 1.073 46.172 45.100 -0.001 0.000 0.778 50 G HN 0.711 nan 8.290 nan 0.000 0.543 51 G N 0.395 109.176 108.800 -0.031 0.000 2.961 51 G HA2 0.199 4.158 3.960 -0.001 0.000 0.150 51 G HA3 0.199 4.158 3.960 -0.001 0.000 0.150 51 G C 0.241 175.116 174.900 -0.042 0.000 1.864 51 G CA -0.493 44.584 45.100 -0.039 0.000 0.992 51 G HN 0.192 nan 8.290 nan 0.000 0.458 52 R N 1.777 122.249 120.500 -0.047 0.000 2.215 52 R HA 0.231 4.570 4.340 -0.001 0.000 0.337 52 R C -0.668 175.640 176.300 0.013 0.000 1.010 52 R CA -0.385 55.701 56.100 -0.023 0.000 0.871 52 R CB 0.625 30.914 30.300 -0.020 0.000 1.134 52 R HN 0.620 nan 8.270 nan 0.000 0.477 53 N N -0.862 117.893 118.700 0.091 0.000 2.351 53 N HA 0.023 4.762 4.740 -0.001 0.000 0.254 53 N C -0.734 175.064 175.510 0.481 0.000 1.241 53 N CA -0.468 52.732 53.050 0.250 0.000 0.883 53 N CB 0.640 39.222 38.487 0.158 0.000 1.202 53 N HN 0.061 nan 8.380 nan 0.000 0.512 54 S N 0.913 116.807 115.700 0.323 0.000 2.548 54 S HA 0.395 4.864 4.470 -0.001 0.000 0.277 54 S C 0.288 174.998 174.600 0.182 0.000 1.315 54 S CA -0.417 57.918 58.200 0.225 0.000 1.050 54 S CB 0.741 63.987 63.200 0.078 0.000 0.918 54 S HN 0.263 nan 8.310 nan 0.000 0.497 55 I N 3.282 123.920 120.570 0.114 0.000 2.464 55 I HA 0.347 4.517 4.170 -0.001 0.000 0.277 55 I C 0.060 176.190 176.117 0.021 0.000 1.040 55 I CA -0.347 60.927 61.300 -0.044 0.000 1.153 55 I CB 0.761 38.671 38.000 -0.150 0.000 1.274 55 I HN 0.332 nan 8.210 nan 0.000 0.469 56 R N 3.538 124.048 120.500 0.016 0.000 2.346 56 R HA 0.400 4.739 4.340 -0.001 0.000 0.311 56 R C -0.502 175.832 176.300 0.057 0.000 0.983 56 R CA -0.544 55.580 56.100 0.040 0.000 0.880 56 R CB 2.167 32.475 30.300 0.012 0.000 1.100 56 R HN 0.425 nan 8.270 nan 0.000 0.453 57 Y N 1.426 121.715 120.300 -0.019 0.000 3.052 57 Y HA 0.204 4.753 4.550 -0.001 0.000 0.468 57 Y C 1.317 177.202 175.900 -0.025 0.000 1.283 57 Y CA -0.050 58.035 58.100 -0.026 0.000 1.807 57 Y CB -0.347 38.108 38.460 -0.009 0.000 1.580 57 Y HN 0.550 nan 8.280 nan 0.000 0.782 58 S N -0.264 114.616 115.700 -1.366 0.000 2.354 58 S HA 0.081 4.550 4.470 -0.001 0.000 0.209 58 S C 0.563 174.909 174.600 -0.423 0.000 1.248 58 S CA 0.287 57.963 58.200 -0.874 0.000 1.211 58 S CB -0.542 62.032 63.200 -1.043 0.000 0.896 58 S HN 0.553 nan 8.310 nan 0.000 0.447 59 E N 0.846 120.868 120.200 -0.296 0.000 2.301 59 E HA 0.143 4.492 4.350 -0.001 0.000 0.195 59 E C 0.319 176.879 176.600 -0.066 0.000 1.171 59 E CA -0.205 56.120 56.400 -0.126 0.000 1.142 59 E CB -0.115 29.549 29.700 -0.060 0.000 1.218 59 E HN 0.285 nan 8.360 nan 0.000 0.448 60 L N 0.331 121.503 121.223 -0.084 0.000 2.543 60 L HA 0.401 4.740 4.340 -0.001 0.000 0.181 60 L C -0.054 176.850 176.870 0.057 0.000 1.437 60 L CA 0.148 55.021 54.840 0.054 0.000 3.059 60 L CB 0.217 42.410 42.059 0.222 0.000 2.916 60 L HN 0.014 nan 8.230 nan 0.000 1.037 61 A N -0.909 121.967 122.820 0.094 0.000 2.422 61 A HA 0.716 5.035 4.320 -0.001 0.000 0.302 61 A C -2.614 175.036 177.584 0.110 0.000 1.041 61 A CA -1.223 50.868 52.037 0.090 0.000 0.708 61 A CB 0.816 19.866 19.000 0.084 0.000 1.257 61 A HN 0.257 nan 8.150 nan 0.000 0.414 62 P HA 0.410 nan 4.420 nan 0.000 0.276 62 P C -1.112 176.337 177.300 0.248 0.000 1.264 62 P CA 0.265 63.494 63.100 0.216 0.000 0.769 62 P CB 0.411 32.269 31.700 0.262 0.000 0.840 63 L N 5.709 127.032 121.223 0.167 0.000 2.335 63 L HA 0.389 4.728 4.340 -0.001 0.000 0.268 63 L C -0.012 176.929 176.870 0.119 0.000 1.037 63 L CA -0.388 54.474 54.840 0.037 0.000 0.895 63 L CB -0.377 41.683 42.059 0.002 0.000 1.266 63 L HN 0.276 nan 8.230 nan 0.000 0.439 64 F N -0.008 119.969 119.950 0.046 0.000 2.410 64 F HA 0.690 5.216 4.527 -0.001 0.000 0.348 64 F C 0.068 175.923 175.800 0.091 0.000 1.106 64 F CA -1.023 57.025 58.000 0.080 0.000 1.163 64 F CB 0.582 39.629 39.000 0.078 0.000 1.129 64 F HN 0.334 nan 8.300 nan 0.000 0.516 65 D N 1.222 121.807 120.400 0.308 0.000 9.828 65 D HA -0.155 4.485 4.640 -0.001 0.000 0.287 65 D C -0.069 176.328 176.300 0.162 0.000 2.774 65 D CA 0.934 55.084 54.000 0.249 0.000 2.585 65 D CB -0.507 40.383 40.800 0.150 0.000 1.060 65 D HN 1.191 nan 8.370 nan 0.000 0.782 66 T N 0.757 115.440 114.554 0.216 0.000 0.591 66 T HA -0.090 4.259 4.350 -0.001 0.000 0.770 66 T C -0.114 174.582 174.700 -0.006 0.000 0.992 66 T CA 1.989 64.149 62.100 0.100 0.000 4.050 66 T CB -0.083 68.839 68.868 0.090 0.000 2.288 66 T HN 0.695 nan 8.240 nan 0.000 0.397 67 T N 4.370 118.882 114.554 -0.071 0.000 2.647 67 T HA 0.673 5.022 4.350 -0.001 0.000 0.295 67 T C -1.426 173.163 174.700 -0.186 0.000 1.126 67 T CA -0.985 61.046 62.100 -0.115 0.000 1.040 67 T CB 0.986 69.786 68.868 -0.113 0.000 1.472 67 T HN 0.687 nan 8.240 nan 0.000 0.500 68 R N 1.480 121.817 120.500 -0.272 0.000 2.393 68 R HA 0.645 4.984 4.340 -0.001 0.000 0.310 68 R C -0.894 175.065 176.300 -0.568 0.000 0.968 68 R CA -0.478 55.318 56.100 -0.506 0.000 0.867 68 R CB 1.177 30.989 30.300 -0.813 0.000 1.124 68 R HN 0.505 nan 8.270 nan 0.000 0.450 69 V N 1.834 121.451 119.914 -0.496 0.000 2.581 69 V HA 0.571 4.690 4.120 -0.001 0.000 0.303 69 V C -0.792 175.172 176.094 -0.216 0.000 1.041 69 V CA -1.080 61.044 62.300 -0.294 0.000 0.907 69 V CB 1.450 33.175 31.823 -0.163 0.000 0.994 69 V HN 0.559 nan 8.190 nan 0.000 0.442 70 Y N 3.062 123.335 120.300 -0.045 0.000 2.331 70 Y HA 0.645 5.195 4.550 -0.001 0.000 0.334 70 Y C -0.207 175.693 175.900 -0.000 0.000 0.960 70 Y CA -0.814 57.272 58.100 -0.023 0.000 1.130 70 Y CB 1.847 40.298 38.460 -0.014 0.000 1.164 70 Y HN 0.477 nan 8.280 nan 0.000 0.458 71 L N 5.452 126.781 121.223 0.177 0.000 2.288 71 L HA 0.506 4.845 4.340 -0.001 0.000 0.283 71 L C -0.888 176.116 176.870 0.223 0.000 1.072 71 L CA -0.624 54.301 54.840 0.142 0.000 0.862 71 L CB 0.147 42.242 42.059 0.061 0.000 1.245 71 L HN 0.386 nan 8.230 nan 0.000 0.432 72 V N 1.121 121.177 119.914 0.237 0.000 2.495 72 V HA 0.226 4.345 4.120 -0.001 0.000 0.298 72 V C 0.273 176.544 176.094 0.294 0.000 1.031 72 V CA -0.708 61.724 62.300 0.219 0.000 0.871 72 V CB 1.798 33.675 31.823 0.091 0.000 0.988 72 V HN 0.684 nan 8.190 nan 0.000 0.432 73 D N 1.943 122.468 120.400 0.209 0.000 2.213 73 D HA -0.111 4.528 4.640 -0.001 0.000 0.205 73 D C 1.229 177.516 176.300 -0.022 0.000 0.961 73 D CA 0.921 54.886 54.000 -0.059 0.000 0.853 73 D CB -0.259 40.340 40.800 -0.335 0.000 0.967 73 D HN 0.567 nan 8.370 nan 0.000 0.496 74 N N -0.096 118.623 118.700 0.031 0.000 2.571 74 N HA -0.040 4.699 4.740 -0.001 0.000 0.189 74 N C -0.024 175.495 175.510 0.015 0.000 1.154 74 N CA -0.047 53.017 53.050 0.023 0.000 0.907 74 N CB 0.101 38.600 38.487 0.020 0.000 0.977 74 N HN 0.056 nan 8.380 nan 0.000 0.449 75 K N 1.134 121.549 120.400 0.024 0.000 2.402 75 K HA 0.009 4.329 4.320 -0.001 0.000 0.279 75 K C 0.697 177.306 176.600 0.016 0.000 1.082 75 K CA -0.076 56.224 56.287 0.021 0.000 1.080 75 K CB 0.666 33.188 32.500 0.038 0.000 0.899 75 K HN 0.077 nan 8.250 nan 0.000 0.469 76 S N 1.772 117.478 115.700 0.009 0.000 2.387 76 S HA -0.180 4.289 4.470 -0.001 0.000 0.230 76 S C 1.894 176.501 174.600 0.011 0.000 1.035 76 S CA 2.174 60.379 58.200 0.008 0.000 1.014 76 S CB -0.108 63.094 63.200 0.003 0.000 0.836 76 S HN 0.822 nan 8.310 nan 0.000 0.466 77 T N 1.479 116.040 114.554 0.013 0.000 2.737 77 T HA -0.142 4.207 4.350 -0.001 0.000 0.265 77 T C 1.488 176.199 174.700 0.017 0.000 1.038 77 T CA 1.541 63.649 62.100 0.014 0.000 1.144 77 T CB -0.757 68.122 68.868 0.018 0.000 0.866 77 T HN 0.629 nan 8.240 nan 0.000 0.434 78 D N 1.310 121.726 120.400 0.026 0.000 2.277 78 D HA 0.000 4.639 4.640 -0.001 0.000 0.208 78 D C 1.962 178.279 176.300 0.029 0.000 0.962 78 D CA 0.146 54.165 54.000 0.032 0.000 0.865 78 D CB -0.858 39.973 40.800 0.051 0.000 0.939 78 D HN 0.330 nan 8.370 nan 0.000 0.510 79 V N 0.622 120.550 119.914 0.022 0.000 2.453 79 V HA -0.258 3.861 4.120 -0.001 0.000 0.252 79 V C 2.560 178.682 176.094 0.046 0.000 1.068 79 V CA 1.936 64.248 62.300 0.020 0.000 1.070 79 V CB -0.786 31.043 31.823 0.009 0.000 0.664 79 V HN 0.475 nan 8.190 nan 0.000 0.461 80 A N -0.471 122.364 122.820 0.025 0.000 1.861 80 A HA -0.104 4.215 4.320 -0.001 0.000 0.212 80 A C 2.453 179.998 177.584 -0.065 0.000 1.199 80 A CA 1.652 53.683 52.037 -0.010 0.000 0.613 80 A CB -0.623 18.361 19.000 -0.027 0.000 0.846 80 A HN 0.533 nan 8.150 nan 0.000 0.446 81 S N -0.439 115.239 115.700 -0.037 0.000 2.368 81 S HA 0.120 4.589 4.470 -0.001 0.000 0.224 81 S C 0.480 175.066 174.600 -0.023 0.000 1.029 81 S CA 0.979 59.154 58.200 -0.043 0.000 0.988 81 S CB -0.428 62.764 63.200 -0.013 0.000 0.838 81 S HN 0.351 nan 8.310 nan 0.000 0.462 82 L N 0.283 121.516 121.223 0.017 0.000 2.359 82 L HA 0.545 4.884 4.340 -0.001 0.000 0.256 82 L C 0.068 176.979 176.870 0.068 0.000 1.026 82 L CA -0.753 54.114 54.840 0.045 0.000 0.828 82 L CB 0.922 43.013 42.059 0.053 0.000 1.406 82 L HN -0.168 nan 8.230 nan 0.000 0.413 83 N N -0.854 117.894 118.700 0.081 0.000 2.965 83 N HA -0.306 4.433 4.740 -0.001 0.000 0.232 83 N C 0.771 176.332 175.510 0.085 0.000 0.913 83 N CA 1.486 54.574 53.050 0.063 0.000 0.981 83 N CB -1.404 37.093 38.487 0.017 0.000 1.077 83 N HN 0.858 nan 8.380 nan 0.000 0.589 84 Y N 1.794 122.072 120.300 -0.036 0.000 2.069 84 Y HA -0.255 4.294 4.550 -0.001 0.000 0.278 84 Y C 2.015 177.884 175.900 -0.051 0.000 1.175 84 Y CA 2.790 60.865 58.100 -0.042 0.000 1.134 84 Y CB -0.078 38.366 38.460 -0.027 0.000 0.965 84 Y HN 0.453 nan 8.280 nan 0.000 0.498 85 Q N 0.440 120.301 119.800 0.102 0.000 2.341 85 Q HA 0.283 4.622 4.340 -0.001 0.000 0.325 85 Q C -0.994 174.978 176.000 -0.046 0.000 0.920 85 Q CA -0.292 55.482 55.803 -0.049 0.000 1.065 85 Q CB -0.082 28.657 28.738 0.001 0.000 1.218 85 Q HN 0.362 nan 8.270 nan 0.000 0.434 86 N N 1.380 120.050 118.700 -0.050 0.000 2.405 86 N HA 0.206 4.945 4.740 -0.001 0.000 0.285 86 N C -1.118 174.324 175.510 -0.115 0.000 1.262 86 N CA -0.305 52.714 53.050 -0.051 0.000 0.773 86 N CB 1.993 40.488 38.487 0.012 0.000 1.490 86 N HN 0.270 nan 8.380 nan 0.000 0.486 87 D N -0.870 119.468 120.400 -0.105 0.000 2.509 87 D HA 0.185 4.824 4.640 -0.001 0.000 0.275 87 D C 0.324 176.504 176.300 -0.200 0.000 1.189 87 D CA 0.346 54.256 54.000 -0.150 0.000 1.098 87 D CB 0.084 40.827 40.800 -0.096 0.000 1.177 87 D HN 0.513 nan 8.370 nan 0.000 0.599 88 H N -2.184 116.816 119.070 -0.117 0.000 2.648 88 H HA 0.256 4.811 4.556 -0.001 0.000 0.265 88 H C 0.985 176.352 175.328 0.066 0.000 0.961 88 H CA 0.568 56.514 56.048 -0.170 0.000 1.185 88 H CB 0.595 30.279 29.762 -0.129 0.000 1.449 88 H HN 0.242 nan 8.280 nan 0.000 0.523 89 S N 0.569 116.374 115.700 0.175 0.000 2.614 89 S HA 0.066 4.535 4.470 -0.001 0.000 0.230 89 S C -0.040 174.646 174.600 0.143 0.000 0.952 89 S CA -0.312 57.965 58.200 0.128 0.000 0.949 89 S CB -0.366 62.840 63.200 0.010 0.000 0.786 89 S HN 0.424 nan 8.310 nan 0.000 0.478 90 N N 0.650 119.513 118.700 0.271 0.000 2.905 90 N HA 0.338 5.077 4.740 -0.001 0.000 0.255 90 N C -1.089 174.631 175.510 0.350 0.000 1.199 90 N CA -0.584 52.596 53.050 0.217 0.000 0.911 90 N CB 0.356 38.885 38.487 0.070 0.000 1.550 90 N HN 0.301 nan 8.380 nan 0.000 0.599 91 F N 0.608 120.578 119.950 0.034 0.000 2.779 91 F HA 0.719 5.246 4.527 -0.001 0.000 0.316 91 F C -1.888 173.942 175.800 0.050 0.000 1.164 91 F CA -1.248 56.767 58.000 0.025 0.000 0.924 91 F CB 1.266 40.273 39.000 0.012 0.000 1.348 91 F HN 0.073 nan 8.300 nan 0.000 0.467 92 L N 1.370 122.783 121.223 0.317 0.000 2.346 92 L HA 0.736 5.075 4.340 -0.001 0.000 0.276 92 L C -0.515 176.495 176.870 0.233 0.000 1.006 92 L CA -0.593 54.348 54.840 0.169 0.000 0.817 92 L CB 2.221 44.348 42.059 0.113 0.000 1.272 92 L HN 0.754 nan 8.230 nan 0.000 0.421 93 T N 0.024 114.668 114.554 0.151 0.000 2.863 93 T HA 0.397 4.746 4.350 -0.001 0.000 0.285 93 T C -0.193 174.559 174.700 0.087 0.000 1.009 93 T CA -0.567 61.630 62.100 0.161 0.000 0.989 93 T CB 1.597 70.566 68.868 0.168 0.000 1.004 93 T HN 0.671 nan 8.240 nan 0.000 0.455 94 T N 0.714 115.315 114.554 0.078 0.000 2.723 94 T HA 0.298 4.647 4.350 -0.001 0.000 0.297 94 T C 1.144 175.868 174.700 0.039 0.000 0.925 94 T CA -0.742 61.388 62.100 0.049 0.000 1.030 94 T CB 0.044 68.941 68.868 0.047 0.000 0.905 94 T HN 0.315 nan 8.240 nan 0.000 0.502 95 V N 3.087 123.012 119.914 0.019 0.000 3.623 95 V HA 0.263 4.383 4.120 -0.001 0.000 0.271 95 V C 1.107 177.174 176.094 -0.044 0.000 1.248 95 V CA 0.024 62.327 62.300 0.005 0.000 1.156 95 V CB -0.958 30.858 31.823 -0.011 0.000 0.870 95 V HN 0.867 nan 8.190 nan 0.000 0.453 96 I N 1.848 122.385 120.570 -0.056 0.000 2.260 96 I HA 0.157 4.326 4.170 -0.001 0.000 0.297 96 I C 0.402 176.483 176.117 -0.060 0.000 1.143 96 I CA -0.018 61.204 61.300 -0.131 0.000 1.271 96 I CB 0.722 38.672 38.000 -0.082 0.000 1.461 96 I HN 0.251 nan 8.210 nan 0.000 0.530 97 Q N 3.476 123.237 119.800 -0.065 0.000 2.404 97 Q HA 0.100 4.439 4.340 -0.001 0.000 0.272 97 Q C -0.025 175.963 176.000 -0.021 0.000 0.939 97 Q CA 0.003 55.795 55.803 -0.019 0.000 0.945 97 Q CB -0.522 28.221 28.738 0.008 0.000 1.195 97 Q HN 0.393 nan 8.270 nan 0.000 0.415 98 N N 0.598 119.298 118.700 0.000 0.000 2.425 98 N HA 0.050 4.789 4.740 -0.001 0.000 0.268 98 N C 0.364 175.904 175.510 0.050 0.000 0.991 98 N CA -0.171 52.910 53.050 0.052 0.000 0.931 98 N CB 1.085 39.681 38.487 0.183 0.000 1.130 98 N HN 0.093 nan 8.380 nan 0.000 0.493 99 N N 3.004 121.701 118.700 -0.003 0.000 2.104 99 N HA -0.163 4.576 4.740 -0.001 0.000 0.190 99 N C -0.137 175.324 175.510 -0.082 0.000 1.024 99 N CA 1.659 54.691 53.050 -0.031 0.000 0.853 99 N CB 0.040 38.506 38.487 -0.034 0.000 1.008 99 N HN 0.566 nan 8.380 nan 0.000 0.424 100 D N -1.423 118.867 120.400 -0.183 0.000 2.324 100 D HA 0.049 4.688 4.640 -0.001 0.000 0.235 100 D C -0.639 175.322 176.300 -0.564 0.000 1.095 100 D CA 0.441 54.243 54.000 -0.330 0.000 0.871 100 D CB -0.128 40.464 40.800 -0.347 0.000 0.906 100 D HN 0.414 nan 8.370 nan 0.000 0.522 101 Y N -0.237 120.084 120.300 0.035 0.000 2.485 101 Y HA 0.283 4.832 4.550 -0.001 0.000 0.345 101 Y C 0.439 176.355 175.900 0.026 0.000 0.998 101 Y CA -1.471 56.652 58.100 0.039 0.000 1.059 101 Y CB 1.766 40.263 38.460 0.062 0.000 1.234 101 Y HN -0.287 nan 8.280 nan 0.000 0.461 102 S N 4.346 120.187 115.700 0.235 0.000 2.498 102 S HA 0.084 4.553 4.470 -0.001 0.000 0.281 102 S C -1.763 172.908 174.600 0.118 0.000 1.265 102 S CA -1.162 57.116 58.200 0.130 0.000 1.071 102 S CB 0.496 63.760 63.200 0.106 0.000 0.894 102 S HN 0.425 nan 8.310 nan 0.000 0.491 103 P HA 0.034 nan 4.420 nan 0.000 0.228 103 P C 1.403 178.733 177.300 0.049 0.000 1.151 103 P CA 0.874 64.014 63.100 0.065 0.000 0.770 103 P CB -0.264 31.464 31.700 0.046 0.000 0.786 104 G N 0.665 109.491 108.800 0.043 0.000 2.425 104 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.213 104 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.213 104 G C 1.420 176.337 174.900 0.029 0.000 1.201 104 G CA 0.184 45.302 45.100 0.030 0.000 0.799 104 G HN 0.250 nan 8.290 nan 0.000 0.534 105 E N 1.375 121.599 120.200 0.040 0.000 2.516 105 E HA 0.114 4.463 4.350 -0.001 0.000 0.199 105 E C 2.326 178.923 176.600 -0.005 0.000 1.069 105 E CA 0.651 57.066 56.400 0.025 0.000 0.876 105 E CB -0.086 29.643 29.700 0.049 0.000 0.843 105 E HN 0.310 nan 8.360 nan 0.000 0.530 106 A N 0.713 123.547 122.820 0.023 0.000 1.930 106 A HA -0.137 4.182 4.320 -0.001 0.000 0.215 106 A C 2.340 179.918 177.584 -0.010 0.000 1.176 106 A CA 1.369 53.409 52.037 0.005 0.000 0.632 106 A CB -0.548 18.486 19.000 0.056 0.000 0.819 106 A HN 0.439 nan 8.150 nan 0.000 0.445 107 S N 0.465 116.167 115.700 0.002 0.000 2.392 107 S HA -0.250 4.219 4.470 -0.001 0.000 0.232 107 S C 1.864 176.457 174.600 -0.012 0.000 1.041 107 S CA 2.139 60.340 58.200 0.000 0.000 1.026 107 S CB -1.654 61.550 63.200 0.007 0.000 0.845 107 S HN 0.603 nan 8.310 nan 0.000 0.465 108 T N 1.672 116.210 114.554 -0.026 0.000 2.653 108 T HA -0.174 4.175 4.350 -0.001 0.000 0.268 108 T C 0.949 175.620 174.700 -0.048 0.000 1.035 108 T CA 1.479 63.554 62.100 -0.040 0.000 1.154 108 T CB -0.554 68.279 68.868 -0.057 0.000 0.862 108 T HN 0.559 nan 8.240 nan 0.000 0.441 109 Q N 1.455 121.221 119.800 -0.057 0.000 2.394 109 Q HA 0.362 4.701 4.340 -0.001 0.000 0.248 109 Q C -0.289 175.725 176.000 0.024 0.000 0.992 109 Q CA 0.066 55.849 55.803 -0.032 0.000 0.888 109 Q CB 0.705 29.448 28.738 0.008 0.000 1.257 109 Q HN 0.374 nan 8.270 nan 0.000 0.462 110 T N 0.523 115.097 114.554 0.032 0.000 2.856 110 T HA 0.374 4.724 4.350 -0.001 0.000 0.283 110 T C 0.871 175.621 174.700 0.084 0.000 1.008 110 T CA -0.818 61.298 62.100 0.027 0.000 0.997 110 T CB 0.997 69.859 68.868 -0.011 0.000 0.992 110 T HN 0.407 nan 8.240 nan 0.000 0.454 111 I N 0.919 121.512 120.570 0.039 0.000 2.286 111 I HA -0.069 4.100 4.170 -0.001 0.000 0.245 111 I C 0.298 176.408 176.117 -0.012 0.000 1.104 111 I CA 0.965 62.282 61.300 0.028 0.000 1.397 111 I CB -0.725 37.245 38.000 -0.050 0.000 1.072 111 I HN 0.782 nan 8.210 nan 0.000 0.417 112 N N 1.985 120.654 118.700 -0.051 0.000 2.525 112 N HA -0.176 4.563 4.740 -0.001 0.000 0.283 112 N C -0.514 174.908 175.510 -0.147 0.000 1.259 112 N CA 0.457 53.464 53.050 -0.073 0.000 0.689 112 N CB -1.424 37.039 38.487 -0.039 0.000 0.899 112 N HN 0.246 nan 8.380 nan 0.000 0.541 113 L N 0.664 121.731 121.223 -0.259 0.000 2.417 113 L HA 0.154 4.493 4.340 -0.001 0.000 0.268 113 L C 1.196 177.993 176.870 -0.121 0.000 1.158 113 L CA -0.306 54.222 54.840 -0.520 0.000 0.819 113 L CB 0.394 41.855 42.059 -0.998 0.000 1.112 113 L HN 0.251 nan 8.230 nan 0.000 0.458 114 D N 1.488 122.005 120.400 0.196 0.000 2.458 114 D HA -0.037 4.602 4.640 -0.001 0.000 0.243 114 D C -0.255 176.264 176.300 0.364 0.000 1.146 114 D CA -0.064 54.150 54.000 0.356 0.000 0.877 114 D CB 0.854 41.873 40.800 0.366 0.000 1.176 114 D HN 0.380 nan 8.370 nan 0.000 0.461 115 D N 2.543 123.024 120.400 0.134 0.000 2.881 115 D HA 0.113 4.752 4.640 -0.001 0.000 0.240 115 D C 0.991 177.286 176.300 -0.009 0.000 1.249 115 D CA -0.136 53.888 54.000 0.040 0.000 0.839 115 D CB 0.245 41.051 40.800 0.010 0.000 1.042 115 D HN 0.239 nan 8.370 nan 0.000 0.475 116 R N -0.178 120.317 120.500 -0.008 0.000 2.412 116 R HA 0.168 4.508 4.340 -0.001 0.000 0.212 116 R C -0.182 176.054 176.300 -0.107 0.000 0.878 116 R CA 0.199 56.271 56.100 -0.047 0.000 1.022 116 R CB 0.677 30.962 30.300 -0.024 0.000 1.265 116 R HN 0.247 nan 8.270 nan 0.000 0.620 117 S N -0.465 115.124 115.700 -0.185 0.000 2.542 117 S HA 0.418 4.888 4.470 -0.001 0.000 0.293 117 S C -0.844 173.507 174.600 -0.416 0.000 1.089 117 S CA -0.945 57.079 58.200 -0.294 0.000 0.961 117 S CB 1.640 64.585 63.200 -0.425 0.000 1.062 117 S HN 0.091 nan 8.310 nan 0.000 0.483 118 H N 0.665 119.615 119.070 -0.201 0.000 2.767 118 H HA 0.167 4.722 4.556 -0.002 0.000 0.316 118 H C -0.940 174.296 175.328 -0.153 0.000 1.059 118 H CA 0.325 56.319 56.048 -0.090 0.000 1.461 118 H CB 0.430 30.173 29.762 -0.032 0.000 1.475 118 H HN 0.598 nan 8.280 nan 0.000 0.531 119 W N 1.476 122.797 121.300 0.035 0.000 2.359 119 W HA 0.455 5.115 4.660 -0.001 0.000 0.344 119 W C 0.694 177.236 176.519 0.038 0.000 1.170 119 W CA -0.317 57.042 57.345 0.022 0.000 1.296 119 W CB 1.300 30.756 29.460 -0.008 0.000 1.197 119 W HN 0.620 nan 8.180 nan 0.000 0.618 120 G N -0.377 108.605 108.800 0.304 0.000 2.714 120 G HA2 0.702 4.661 3.960 -0.001 0.000 0.292 120 G HA3 0.702 4.661 3.960 -0.001 0.000 0.292 120 G C -1.363 173.630 174.900 0.156 0.000 1.308 120 G CA -0.940 44.265 45.100 0.175 0.000 0.964 120 G HN 0.691 nan 8.290 nan 0.000 0.484 121 G N -0.318 108.529 108.800 0.078 0.000 2.719 121 G HA2 0.466 4.425 3.960 -0.001 0.000 0.298 121 G HA3 0.466 4.425 3.960 -0.001 0.000 0.298 121 G C -1.493 173.411 174.900 0.008 0.000 1.433 121 G CA -0.454 44.666 45.100 0.033 0.000 1.034 121 G HN 0.434 nan 8.290 nan 0.000 0.517 122 D N 1.333 121.732 120.400 -0.001 0.000 2.348 122 D HA 0.230 4.869 4.640 -0.001 0.000 0.253 122 D C -0.584 175.689 176.300 -0.044 0.000 1.161 122 D CA -0.133 53.860 54.000 -0.012 0.000 0.876 122 D CB 1.582 42.378 40.800 -0.007 0.000 1.160 122 D HN 0.160 nan 8.370 nan 0.000 0.459 123 L N 4.320 125.512 121.223 -0.051 0.000 2.287 123 L HA 0.407 4.746 4.340 -0.001 0.000 0.287 123 L C -0.591 176.208 176.870 -0.118 0.000 1.022 123 L CA -0.319 54.449 54.840 -0.119 0.000 0.814 123 L CB 1.074 43.026 42.059 -0.178 0.000 1.217 123 L HN 0.200 nan 8.230 nan 0.000 0.420 124 K N 2.827 123.139 120.400 -0.147 0.000 2.259 124 K HA 0.756 5.075 4.320 -0.001 0.000 0.252 124 K C -0.983 175.470 176.600 -0.244 0.000 0.936 124 K CA -0.653 55.563 56.287 -0.119 0.000 0.810 124 K CB 2.112 34.586 32.500 -0.044 0.000 1.143 124 K HN 0.748 nan 8.250 nan 0.000 0.427 125 T N -0.572 113.826 114.554 -0.260 0.000 2.912 125 T HA 0.572 4.921 4.350 -0.001 0.000 0.299 125 T C -0.196 174.468 174.700 -0.059 0.000 1.052 125 T CA -0.862 61.022 62.100 -0.361 0.000 0.996 125 T CB 0.777 69.004 68.868 -1.069 0.000 1.070 125 T HN 0.407 nan 8.240 nan 0.000 0.465 126 I N 3.176 123.769 120.570 0.039 0.000 2.359 126 I HA 0.473 4.642 4.170 -0.001 0.000 0.284 126 I C -0.912 175.349 176.117 0.241 0.000 1.018 126 I CA -0.994 60.381 61.300 0.124 0.000 1.173 126 I CB 1.252 39.298 38.000 0.077 0.000 1.326 126 I HN 0.462 nan 8.210 nan 0.000 0.462 127 L N 6.647 128.053 121.223 0.305 0.000 2.329 127 L HA 0.586 4.925 4.340 -0.001 0.000 0.279 127 L C -0.888 176.156 176.870 0.290 0.000 1.014 127 L CA 0.046 55.102 54.840 0.360 0.000 0.814 127 L CB 1.346 43.687 42.059 0.470 0.000 1.257 127 L HN 0.542 nan 8.230 nan 0.000 0.424 128 H N 2.633 121.769 119.070 0.110 0.000 2.954 128 H HA 0.535 5.091 4.556 -0.001 0.000 0.361 128 H C -1.531 173.831 175.328 0.057 0.000 1.122 128 H CA -0.141 55.943 56.048 0.058 0.000 1.217 128 H CB 1.884 31.655 29.762 0.015 0.000 1.776 128 H HN 0.801 nan 8.280 nan 0.000 0.533 129 T N 1.220 115.727 114.554 -0.078 0.000 2.930 129 T HA 0.367 4.716 4.350 -0.001 0.000 0.290 129 T C 0.269 174.865 174.700 -0.173 0.000 1.052 129 T CA -1.060 61.021 62.100 -0.032 0.000 1.017 129 T CB 1.699 70.557 68.868 -0.016 0.000 1.137 129 T HN 0.690 nan 8.240 nan 0.000 0.511 130 N N 0.326 119.049 118.700 0.039 0.000 2.433 130 N HA 0.183 4.922 4.740 -0.001 0.000 0.270 130 N C -0.348 175.090 175.510 -0.121 0.000 1.354 130 N CA -0.230 52.820 53.050 -0.000 0.000 0.889 130 N CB 0.576 39.197 38.487 0.223 0.000 1.285 130 N HN 0.581 nan 8.380 nan 0.000 0.503 131 M N 2.781 122.192 119.600 -0.316 0.000 2.219 131 M HA 0.214 4.693 4.480 -0.001 0.000 0.353 131 M C -2.212 173.708 176.300 -0.634 0.000 1.304 131 M CA -0.968 53.825 55.300 -0.846 0.000 1.115 131 M CB 0.822 32.992 32.600 -0.716 0.000 1.664 131 M HN -0.015 nan 8.290 nan 0.000 0.459 132 P HA 0.149 nan 4.420 nan 0.000 0.312 132 P C -0.314 176.714 177.300 -0.453 0.000 1.308 132 P CA -0.300 62.417 63.100 -0.637 0.000 0.743 132 P CB 0.583 31.979 31.700 -0.506 0.000 1.364 133 N N -0.964 117.526 118.700 -0.350 0.000 2.191 133 N HA -0.014 4.725 4.740 -0.001 0.000 0.193 133 N C -0.039 175.413 175.510 -0.097 0.000 1.053 133 N CA 0.503 53.477 53.050 -0.125 0.000 0.943 133 N CB -0.671 37.855 38.487 0.065 0.000 1.119 133 N HN -0.002 nan 8.380 nan 0.000 0.487 134 V N 2.150 122.048 119.914 -0.027 0.000 2.557 134 V HA 0.011 4.130 4.120 -0.001 0.000 0.301 134 V C 0.154 176.254 176.094 0.010 0.000 1.026 134 V CA 0.426 62.730 62.300 0.006 0.000 1.137 134 V CB 0.121 31.967 31.823 0.038 0.000 0.917 134 V HN 0.547 nan 8.190 nan 0.000 0.484 135 N N 3.464 122.188 118.700 0.041 0.000 2.710 135 N HA 0.256 4.995 4.740 -0.001 0.000 0.257 135 N C 0.443 176.036 175.510 0.138 0.000 1.327 135 N CA -0.631 52.465 53.050 0.076 0.000 0.861 135 N CB 1.662 40.160 38.487 0.018 0.000 1.532 135 N HN 0.411 nan 8.380 nan 0.000 0.499 136 E N 0.766 121.075 120.200 0.182 0.000 2.006 136 E HA -0.082 4.267 4.350 -0.001 0.000 0.192 136 E C 1.204 177.939 176.600 0.224 0.000 0.993 136 E CA 1.001 57.528 56.400 0.212 0.000 0.808 136 E CB -0.252 29.561 29.700 0.188 0.000 0.764 136 E HN 0.653 nan 8.360 nan 0.000 0.449 137 F N 0.421 120.399 119.950 0.047 0.000 2.269 137 F HA -0.193 4.333 4.527 -0.002 0.000 0.301 137 F C 2.042 177.653 175.800 -0.315 0.000 1.082 137 F CA 0.603 58.518 58.000 -0.141 0.000 1.360 137 F CB 0.233 39.166 39.000 -0.112 0.000 1.041 137 F HN 0.032 nan 8.300 nan 0.000 0.512 138 M N -0.283 119.101 119.600 -0.360 0.000 2.618 138 M HA 0.046 4.525 4.480 -0.001 0.000 0.240 138 M C -0.234 176.024 176.300 -0.070 0.000 1.123 138 M CA 0.118 55.190 55.300 -0.379 0.000 1.060 138 M CB -1.399 31.085 32.600 -0.193 0.000 1.535 138 M HN 0.147 nan 8.290 nan 0.000 0.507 139 F N -0.477 119.407 119.950 -0.111 0.000 3.039 139 F HA -0.255 4.271 4.527 -0.001 0.000 0.287 139 F C 0.729 176.533 175.800 0.008 0.000 0.956 139 F CA 0.794 58.776 58.000 -0.030 0.000 0.971 139 F CB -3.049 35.929 39.000 -0.035 0.000 0.943 139 F HN 0.088 nan 8.300 nan 0.000 0.766 140 T N -2.470 112.194 114.554 0.182 0.000 3.111 140 T HA 0.112 4.461 4.350 -0.001 0.000 0.284 140 T C 1.255 176.021 174.700 0.110 0.000 0.983 140 T CA 0.406 62.568 62.100 0.103 0.000 0.900 140 T CB 0.041 68.927 68.868 0.030 0.000 1.132 140 T HN 0.597 nan 8.240 nan 0.000 0.531 141 N N 0.519 119.312 118.700 0.154 0.000 2.282 141 N HA 0.123 4.862 4.740 -0.001 0.000 0.185 141 N C 0.241 175.880 175.510 0.216 0.000 1.099 141 N CA -0.119 53.030 53.050 0.164 0.000 0.878 141 N CB 0.380 38.958 38.487 0.152 0.000 0.993 141 N HN 0.069 nan 8.380 nan 0.000 0.481 142 K N 0.124 120.658 120.400 0.224 0.000 2.375 142 K HA 0.427 4.746 4.320 -0.001 0.000 0.249 142 K C -1.584 175.243 176.600 0.378 0.000 0.942 142 K CA -0.951 55.483 56.287 0.245 0.000 0.806 142 K CB 1.994 34.551 32.500 0.095 0.000 1.227 142 K HN 0.202 nan 8.250 nan 0.000 0.430 143 F N -1.141 118.860 119.950 0.084 0.000 2.654 143 F HA 0.548 5.074 4.527 -0.001 0.000 0.308 143 F C -1.319 174.442 175.800 -0.065 0.000 1.108 143 F CA -1.230 56.798 58.000 0.047 0.000 0.957 143 F CB 1.379 40.507 39.000 0.214 0.000 1.309 143 F HN 0.130 nan 8.300 nan 0.000 0.446 144 K N 2.100 122.405 120.400 -0.159 0.000 2.123 144 K HA 0.900 5.220 4.320 -0.001 0.000 0.259 144 K C -1.003 175.490 176.600 -0.178 0.000 0.960 144 K CA -1.031 55.044 56.287 -0.354 0.000 0.872 144 K CB 2.029 34.324 32.500 -0.342 0.000 1.079 144 K HN 0.941 nan 8.250 nan 0.000 0.440 145 A N 1.836 124.617 122.820 -0.065 0.000 2.612 145 A HA 0.462 4.781 4.320 -0.001 0.000 0.293 145 A C -1.518 176.279 177.584 0.354 0.000 1.075 145 A CA -0.785 51.426 52.037 0.289 0.000 0.680 145 A CB 1.452 20.689 19.000 0.396 0.000 1.279 145 A HN 0.731 nan 8.150 nan 0.000 0.411 146 R N 0.838 121.454 120.500 0.195 0.000 2.254 146 R HA 0.624 4.963 4.340 -0.001 0.000 0.318 146 R C -1.105 175.178 176.300 -0.028 0.000 1.031 146 R CA -0.133 55.863 56.100 -0.174 0.000 0.905 146 R CB 0.718 30.541 30.300 -0.795 0.000 1.050 146 R HN 0.601 nan 8.270 nan 0.000 0.456 147 V N 4.384 124.329 119.914 0.052 0.000 3.074 147 V HA 0.442 4.562 4.120 -0.001 0.000 0.314 147 V C 0.139 176.356 176.094 0.205 0.000 1.117 147 V CA -1.328 61.056 62.300 0.139 0.000 1.014 147 V CB 1.922 33.847 31.823 0.169 0.000 1.057 147 V HN 0.839 nan 8.190 nan 0.000 0.438 148 M N 0.944 120.657 119.600 0.188 0.000 2.249 148 M HA 0.620 5.099 4.480 -0.001 0.000 0.351 148 M C -0.360 175.967 176.300 0.044 0.000 1.180 148 M CA 0.061 55.338 55.300 -0.038 0.000 1.127 148 M CB 1.512 33.910 32.600 -0.337 0.000 1.546 148 M HN 0.295 nan 8.290 nan 0.000 0.461 149 V N 1.131 121.038 119.914 -0.010 0.000 2.806 149 V HA 0.124 4.243 4.120 -0.001 0.000 0.239 149 V C 0.683 176.768 176.094 -0.015 0.000 1.113 149 V CA 0.704 63.031 62.300 0.046 0.000 1.137 149 V CB 0.999 32.852 31.823 0.050 0.000 0.865 149 V HN 0.961 nan 8.190 nan 0.000 0.482 150 S N 0.915 116.569 115.700 -0.076 0.000 2.442 150 S HA 0.588 5.057 4.470 -0.001 0.000 0.297 150 S C -0.287 174.244 174.600 -0.115 0.000 1.131 150 S CA -0.356 57.796 58.200 -0.080 0.000 1.092 150 S CB 1.578 64.735 63.200 -0.071 0.000 0.998 150 S HN 0.333 nan 8.310 nan 0.000 0.478 151 R N 2.737 123.191 120.500 -0.076 0.000 2.278 151 R HA 0.347 4.686 4.340 -0.001 0.000 0.322 151 R C -0.167 176.098 176.300 -0.058 0.000 1.058 151 R CA -0.078 55.977 56.100 -0.074 0.000 0.991 151 R CB -0.146 30.129 30.300 -0.041 0.000 1.140 151 R HN 0.707 nan 8.270 nan 0.000 0.518 152 S N 4.201 119.861 115.700 -0.067 0.000 3.371 152 S HA -0.162 4.307 4.470 -0.001 0.000 0.353 152 S C 0.701 175.281 174.600 -0.034 0.000 0.849 152 S CA 0.394 58.565 58.200 -0.047 0.000 1.356 152 S CB -0.751 62.425 63.200 -0.040 0.000 1.217 152 S HN 0.759 nan 8.310 nan 0.000 0.559 153 L N 3.348 124.552 121.223 -0.032 0.000 2.549 153 L HA -0.018 4.321 4.340 -0.001 0.000 0.230 153 L C 1.570 178.429 176.870 -0.019 0.000 1.162 153 L CA 1.061 55.887 54.840 -0.023 0.000 0.834 153 L CB -0.645 41.401 42.059 -0.021 0.000 0.947 153 L HN 0.934 nan 8.230 nan 0.000 0.452 154 T N -0.715 113.828 114.554 -0.019 0.000 4.141 154 T HA -0.148 4.202 4.350 -0.001 0.000 0.352 154 T C 0.187 174.880 174.700 -0.012 0.000 0.756 154 T CA 0.196 62.288 62.100 -0.015 0.000 1.958 154 T CB -1.350 67.510 68.868 -0.014 0.000 1.848 154 T HN 0.141 nan 8.240 nan 0.000 0.872 155 K N 2.727 123.121 120.400 -0.011 0.000 2.361 155 K HA 0.114 4.433 4.320 -0.001 0.000 0.283 155 K C 0.568 177.164 176.600 -0.006 0.000 1.078 155 K CA 0.448 56.730 56.287 -0.008 0.000 1.041 155 K CB 0.081 32.577 32.500 -0.008 0.000 0.932 155 K HN 0.597 nan 8.250 nan 0.000 0.462 156 D N 2.752 123.149 120.400 -0.006 0.000 2.718 156 D HA -0.188 4.451 4.640 -0.001 0.000 0.242 156 D C -0.747 175.550 176.300 -0.005 0.000 1.123 156 D CA 0.461 54.459 54.000 -0.004 0.000 0.690 156 D CB -1.341 39.457 40.800 -0.003 0.000 1.059 156 D HN 0.654 nan 8.370 nan 0.000 0.429 157 K N -0.314 120.083 120.400 -0.006 0.000 5.230 157 K HA -0.254 4.065 4.320 -0.001 0.000 0.331 157 K C 0.130 176.726 176.600 -0.006 0.000 0.863 157 K CA 1.204 57.487 56.287 -0.006 0.000 1.030 157 K CB -0.527 31.970 32.500 -0.005 0.000 1.845 157 K HN 0.690 nan 8.250 nan 0.000 0.404 158 Q N 0.647 120.443 119.800 -0.007 0.000 2.599 158 Q HA 0.136 4.475 4.340 -0.001 0.000 0.248 158 Q C -1.010 174.984 176.000 -0.011 0.000 0.964 158 Q CA -0.650 55.149 55.803 -0.007 0.000 1.011 158 Q CB 1.626 30.361 28.738 -0.004 0.000 1.592 158 Q HN 0.258 nan 8.270 nan 0.000 0.443 159 V N 1.449 121.356 119.914 -0.011 0.000 2.377 159 V HA 0.350 4.469 4.120 -0.001 0.000 0.254 159 V C 0.148 176.229 176.094 -0.022 0.000 1.060 159 V CA 0.065 62.354 62.300 -0.018 0.000 1.068 159 V CB 0.425 32.237 31.823 -0.018 0.000 1.113 159 V HN 0.710 nan 8.190 nan 0.000 0.484 160 E N 6.588 126.770 120.200 -0.029 0.000 2.103 160 E HA 0.381 4.730 4.350 -0.001 0.000 0.254 160 E C -0.646 175.916 176.600 -0.064 0.000 0.940 160 E CA -0.724 55.656 56.400 -0.034 0.000 0.771 160 E CB 1.191 30.877 29.700 -0.024 0.000 1.153 160 E HN 0.946 nan 8.360 nan 0.000 0.428 161 L N 1.761 122.927 121.223 -0.096 0.000 2.275 161 L HA 0.594 4.934 4.340 -0.001 0.000 0.288 161 L C 0.064 176.770 176.870 -0.274 0.000 1.046 161 L CA -0.802 53.922 54.840 -0.192 0.000 0.805 161 L CB 1.118 43.033 42.059 -0.240 0.000 1.193 161 L HN 0.020 nan 8.230 nan 0.000 0.426 162 K N 2.471 122.707 120.400 -0.274 0.000 2.090 162 K HA 0.549 4.868 4.320 -0.001 0.000 0.249 162 K C -1.380 174.988 176.600 -0.386 0.000 0.995 162 K CA -0.649 55.509 56.287 -0.216 0.000 0.914 162 K CB 1.293 33.737 32.500 -0.093 0.000 1.057 162 K HN 0.545 nan 8.250 nan 0.000 0.462 163 Y N -0.108 120.148 120.300 -0.074 0.000 2.576 163 Y HA 0.362 4.911 4.550 -0.001 0.000 0.346 163 Y C -0.291 175.535 175.900 -0.124 0.000 1.018 163 Y CA -0.756 57.274 58.100 -0.117 0.000 1.050 163 Y CB 2.441 40.787 38.460 -0.189 0.000 1.280 163 Y HN 0.522 nan 8.280 nan 0.000 0.474 164 E N 0.651 120.874 120.200 0.039 0.000 2.375 164 E HA 0.230 4.579 4.350 -0.001 0.000 0.280 164 E C -2.080 174.506 176.600 -0.023 0.000 0.972 164 E CA -0.759 55.637 56.400 -0.007 0.000 0.782 164 E CB 1.491 31.211 29.700 0.034 0.000 1.229 164 E HN 0.611 nan 8.360 nan 0.000 0.439 165 W N 3.183 124.449 121.300 -0.058 0.000 2.287 165 W HA 0.411 5.071 4.660 -0.001 0.000 0.313 165 W C -0.178 176.218 176.519 -0.205 0.000 1.267 165 W CA -0.380 56.891 57.345 -0.124 0.000 1.201 165 W CB 1.094 30.482 29.460 -0.121 0.000 1.196 165 W HN 0.199 nan 8.180 nan 0.000 0.536 166 V N -0.018 119.852 119.914 -0.073 0.000 3.078 166 V HA 0.440 4.559 4.120 -0.001 0.000 0.311 166 V C -0.886 174.696 176.094 -0.853 0.000 1.138 166 V CA -1.566 60.494 62.300 -0.400 0.000 1.007 166 V CB 1.901 33.481 31.823 -0.405 0.000 1.045 166 V HN 0.542 nan 8.190 nan 0.000 0.432 167 E N 1.577 121.351 120.200 -0.710 0.000 2.035 167 E HA 0.487 4.836 4.350 -0.001 0.000 0.271 167 E C -1.301 174.880 176.600 -0.697 0.000 0.953 167 E CA -0.511 55.489 56.400 -0.667 0.000 0.777 167 E CB 0.593 30.102 29.700 -0.319 0.000 1.104 167 E HN 0.589 nan 8.360 nan 0.000 0.408 168 F N 1.674 121.447 119.950 -0.295 0.000 2.410 168 F HA 0.261 4.787 4.527 -0.001 0.000 0.334 168 F C 0.862 176.650 175.800 -0.020 0.000 1.134 168 F CA -0.234 57.644 58.000 -0.204 0.000 1.227 168 F CB 1.255 39.983 39.000 -0.453 0.000 1.194 168 F HN 0.172 nan 8.300 nan 0.000 0.571 169 T N 2.987 117.685 114.554 0.239 0.000 2.876 169 T HA 0.672 5.021 4.350 -0.001 0.000 0.289 169 T C -0.585 174.262 174.700 0.245 0.000 1.014 169 T CA -0.772 61.452 62.100 0.206 0.000 0.986 169 T CB 1.632 70.582 68.868 0.136 0.000 1.021 169 T HN 0.321 nan 8.240 nan 0.000 0.458 170 L N 2.723 124.077 121.223 0.218 0.000 2.319 170 L HA 0.563 4.903 4.340 -0.001 0.000 0.267 170 L C -1.934 175.023 176.870 0.145 0.000 1.011 170 L CA -2.429 52.525 54.840 0.190 0.000 0.818 170 L CB 2.166 44.335 42.059 0.183 0.000 1.316 170 L HN 0.440 nan 8.230 nan 0.000 0.432 171 P HA 0.197 nan 4.420 nan 0.000 0.209 171 P C 0.123 177.486 177.300 0.104 0.000 1.843 171 P CA -0.214 62.954 63.100 0.114 0.000 0.985 171 P CB 0.778 32.545 31.700 0.112 0.000 1.904 172 E N 0.932 121.194 120.200 0.103 0.000 4.114 172 E HA -0.357 3.992 4.350 -0.001 0.000 0.212 172 E C 1.803 178.449 176.600 0.077 0.000 1.297 172 E CA 2.469 58.924 56.400 0.090 0.000 2.157 172 E CB -1.801 27.958 29.700 0.099 0.000 1.888 172 E HN 0.461 nan 8.360 nan 0.000 0.266 173 G N 2.841 111.692 108.800 0.086 0.000 2.556 173 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.220 173 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.220 173 G C 0.665 175.686 174.900 0.202 0.000 1.156 173 G CA 1.377 46.534 45.100 0.095 0.000 0.766 173 G HN 0.493 nan 8.290 nan 0.000 0.583 174 N N 0.131 118.958 118.700 0.211 0.000 2.374 174 N HA 0.135 4.874 4.740 -0.001 0.000 0.241 174 N C -0.451 175.251 175.510 0.321 0.000 1.262 174 N CA 0.678 53.871 53.050 0.239 0.000 0.880 174 N CB 0.095 38.640 38.487 0.095 0.000 1.105 174 N HN 0.749 nan 8.380 nan 0.000 0.438 175 Y N -3.434 116.839 120.300 -0.044 0.000 2.681 175 Y HA 0.439 4.988 4.550 -0.001 0.000 0.280 175 Y C -1.332 174.536 175.900 -0.053 0.000 1.079 175 Y CA -0.905 57.162 58.100 -0.055 0.000 1.292 175 Y CB -0.005 38.422 38.460 -0.055 0.000 1.126 175 Y HN 0.340 nan 8.280 nan 0.000 0.553 176 S N 1.260 116.892 115.700 -0.113 0.000 2.568 176 S HA 0.188 4.657 4.470 -0.001 0.000 0.293 176 S C 0.856 175.397 174.600 -0.098 0.000 1.089 176 S CA -0.440 57.681 58.200 -0.131 0.000 0.945 176 S CB 1.761 64.869 63.200 -0.154 0.000 1.077 176 S HN 0.818 nan 8.310 nan 0.000 0.485 177 E N 0.925 121.078 120.200 -0.079 0.000 2.208 177 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 177 E C 1.013 177.556 176.600 -0.095 0.000 0.988 177 E CA 1.545 57.896 56.400 -0.082 0.000 0.828 177 E CB -0.269 29.394 29.700 -0.062 0.000 0.763 177 E HN 0.525 nan 8.360 nan 0.000 0.478 178 T N 0.615 115.115 114.554 -0.090 0.000 2.781 178 T HA 0.018 4.367 4.350 -0.001 0.000 0.252 178 T C 1.800 176.408 174.700 -0.154 0.000 1.039 178 T CA 1.007 63.049 62.100 -0.098 0.000 1.147 178 T CB -0.199 68.622 68.868 -0.078 0.000 0.865 178 T HN 0.092 nan 8.240 nan 0.000 0.423 179 M N 1.167 120.656 119.600 -0.185 0.000 2.460 179 M HA -0.061 4.418 4.480 -0.001 0.000 0.263 179 M C 2.054 178.196 176.300 -0.263 0.000 1.071 179 M CA 0.993 56.124 55.300 -0.281 0.000 1.096 179 M CB -0.386 32.044 32.600 -0.285 0.000 1.408 179 M HN 0.232 nan 8.290 nan 0.000 0.463 180 T N 0.892 115.332 114.554 -0.190 0.000 2.951 180 T HA -0.055 4.294 4.350 -0.001 0.000 0.268 180 T C 1.643 176.204 174.700 -0.233 0.000 1.073 180 T CA 0.708 62.704 62.100 -0.174 0.000 1.134 180 T CB 0.039 68.826 68.868 -0.137 0.000 0.884 180 T HN 0.207 nan 8.240 nan 0.000 0.479 181 I N 1.761 122.185 120.570 -0.243 0.000 2.133 181 I HA -0.091 4.078 4.170 -0.001 0.000 0.238 181 I C 2.062 178.072 176.117 -0.178 0.000 1.074 181 I CA 1.511 62.652 61.300 -0.266 0.000 1.342 181 I CB -1.430 36.468 38.000 -0.169 0.000 1.053 181 I HN 0.207 nan 8.210 nan 0.000 0.404 182 D N 0.816 121.105 120.400 -0.186 0.000 2.190 182 D HA -0.189 4.450 4.640 -0.001 0.000 0.200 182 D C 2.238 178.471 176.300 -0.113 0.000 0.992 182 D CA 0.754 54.640 54.000 -0.191 0.000 0.854 182 D CB -0.097 40.416 40.800 -0.479 0.000 0.936 182 D HN 0.089 nan 8.370 nan 0.000 0.462 183 L N -0.102 121.029 121.223 -0.153 0.000 2.056 183 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 183 L C 2.107 179.048 176.870 0.119 0.000 1.078 183 L CA 1.438 56.288 54.840 0.017 0.000 0.749 183 L CB -0.803 41.248 42.059 -0.013 0.000 0.901 183 L HN 0.195 nan 8.230 nan 0.000 0.433 184 M N -0.705 118.929 119.600 0.056 0.000 2.067 184 M HA -0.222 4.257 4.480 -0.001 0.000 0.260 184 M C 1.909 178.389 176.300 0.299 0.000 1.069 184 M CA 1.571 56.994 55.300 0.204 0.000 1.117 184 M CB -0.604 31.886 32.600 -0.183 0.000 1.334 184 M HN 0.175 nan 8.290 nan 0.000 0.407 185 N N 0.764 119.603 118.700 0.232 0.000 2.094 185 N HA -0.187 4.552 4.740 -0.001 0.000 0.191 185 N C 1.405 177.011 175.510 0.159 0.000 1.023 185 N CA 1.556 54.743 53.050 0.229 0.000 0.857 185 N CB -0.685 37.922 38.487 0.201 0.000 1.013 185 N HN 0.386 nan 8.380 nan 0.000 0.426 186 N N 0.467 119.280 118.700 0.188 0.000 2.069 186 N HA -0.100 4.639 4.740 -0.001 0.000 0.191 186 N C 1.187 176.773 175.510 0.126 0.000 1.031 186 N CA 1.733 54.889 53.050 0.177 0.000 0.852 186 N CB -0.279 38.387 38.487 0.299 0.000 1.018 186 N HN 0.218 nan 8.380 nan 0.000 0.423 187 A N -0.682 122.229 122.820 0.152 0.000 2.238 187 A HA 0.204 4.523 4.320 -0.001 0.000 0.208 187 A C 2.001 179.514 177.584 -0.118 0.000 1.177 187 A CA 0.074 52.186 52.037 0.125 0.000 0.804 187 A CB -0.463 18.686 19.000 0.248 0.000 0.823 187 A HN 0.414 nan 8.150 nan 0.000 0.482 188 I N -1.249 119.204 120.570 -0.195 0.000 2.500 188 I HA -0.126 4.043 4.170 -0.001 0.000 0.252 188 I C 2.126 178.207 176.117 -0.061 0.000 1.142 188 I CA 0.727 61.800 61.300 -0.378 0.000 1.451 188 I CB 0.198 38.096 38.000 -0.170 0.000 1.093 188 I HN 0.177 nan 8.210 nan 0.000 0.430 189 V N -0.009 119.918 119.914 0.020 0.000 2.500 189 V HA -0.138 3.981 4.120 -0.001 0.000 0.243 189 V C 2.187 178.346 176.094 0.108 0.000 1.039 189 V CA 1.308 63.651 62.300 0.071 0.000 1.053 189 V CB -0.368 31.448 31.823 -0.012 0.000 0.695 189 V HN 0.330 nan 8.190 nan 0.000 0.463 190 E N -0.502 119.745 120.200 0.078 0.000 2.267 190 E HA -0.292 4.058 4.350 -0.001 0.000 0.197 190 E C 1.984 178.613 176.600 0.049 0.000 0.998 190 E CA 1.503 57.947 56.400 0.072 0.000 0.830 190 E CB -0.091 29.665 29.700 0.093 0.000 0.751 190 E HN 0.745 nan 8.360 nan 0.000 0.491 191 H N -0.401 118.747 119.070 0.131 0.000 2.317 191 H HA -0.153 4.403 4.556 -0.001 0.000 0.304 191 H C 1.917 177.356 175.328 0.185 0.000 1.067 191 H CA 1.749 57.900 56.048 0.171 0.000 1.352 191 H CB -0.474 29.423 29.762 0.224 0.000 1.398 191 H HN 0.169 nan 8.280 nan 0.000 0.510 192 Y N 0.978 121.124 120.300 -0.257 0.000 2.139 192 Y HA -0.245 4.304 4.550 -0.001 0.000 0.282 192 Y C 2.079 177.913 175.900 -0.109 0.000 1.179 192 Y CA 1.978 60.012 58.100 -0.111 0.000 1.161 192 Y CB -0.514 37.975 38.460 0.049 0.000 0.970 192 Y HN 0.271 nan 8.280 nan 0.000 0.511 193 L N 0.139 121.386 121.223 0.041 0.000 2.353 193 L HA -0.181 4.158 4.340 -0.001 0.000 0.220 193 L C 2.473 179.265 176.870 -0.130 0.000 1.133 193 L CA 1.234 56.042 54.840 -0.053 0.000 0.798 193 L CB -0.421 41.658 42.059 0.033 0.000 0.922 193 L HN 0.217 nan 8.230 nan 0.000 0.445 194 K N -0.941 119.353 120.400 -0.177 0.000 2.276 194 K HA 0.066 4.385 4.320 -0.001 0.000 0.198 194 K C 1.481 177.984 176.600 -0.163 0.000 1.052 194 K CA 0.635 56.833 56.287 -0.149 0.000 0.984 194 K CB 0.926 33.352 32.500 -0.123 0.000 0.836 194 K HN 0.114 nan 8.250 nan 0.000 0.490 195 V N -1.621 118.148 119.914 -0.241 0.000 3.161 195 V HA 0.056 4.176 4.120 -0.001 0.000 0.228 195 V C 1.860 177.872 176.094 -0.137 0.000 1.415 195 V CA 0.911 63.132 62.300 -0.131 0.000 1.285 195 V CB 0.662 32.487 31.823 0.003 0.000 1.100 195 V HN 0.300 nan 8.190 nan 0.000 0.478 196 G N 1.733 110.418 108.800 -0.192 0.000 2.511 196 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.216 196 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.216 196 G C 1.499 176.181 174.900 -0.364 0.000 1.218 196 G CA 1.413 46.419 45.100 -0.158 0.000 0.788 196 G HN 0.539 nan 8.290 nan 0.000 0.560 197 R N 0.101 120.085 120.500 -0.860 0.000 2.120 197 R HA -0.069 4.270 4.340 -0.001 0.000 0.234 197 R C 2.247 178.389 176.300 -0.263 0.000 1.123 197 R CA 1.685 57.433 56.100 -0.588 0.000 0.975 197 R CB -0.430 29.457 30.300 -0.687 0.000 0.866 197 R HN 0.343 nan 8.270 nan 0.000 0.446 198 Q N 0.564 120.221 119.800 -0.238 0.000 2.224 198 Q HA -0.032 4.307 4.340 -0.001 0.000 0.203 198 Q C 0.370 176.314 176.000 -0.092 0.000 0.970 198 Q CA 0.876 56.599 55.803 -0.134 0.000 0.865 198 Q CB -0.169 28.502 28.738 -0.111 0.000 0.922 198 Q HN 0.437 nan 8.270 nan 0.000 0.445 199 N N -0.435 118.210 118.700 -0.092 0.000 2.389 199 N HA 0.214 4.953 4.740 -0.001 0.000 0.260 199 N C 0.459 175.938 175.510 -0.053 0.000 1.191 199 N CA 0.672 53.688 53.050 -0.058 0.000 0.885 199 N CB 1.332 39.795 38.487 -0.040 0.000 1.162 199 N HN 0.415 nan 8.380 nan 0.000 0.512 200 G N -0.832 107.932 108.800 -0.060 0.000 2.213 200 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.226 200 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.226 200 G C 0.020 174.913 174.900 -0.012 0.000 0.992 200 G CA -0.202 44.876 45.100 -0.036 0.000 0.632 200 G HN 0.191 nan 8.290 nan 0.000 0.511 201 V N 2.649 122.562 119.914 -0.002 0.000 2.521 201 V HA 0.428 4.547 4.120 -0.001 0.000 0.286 201 V C 1.334 177.574 176.094 0.243 0.000 1.034 201 V CA -0.113 62.249 62.300 0.104 0.000 1.045 201 V CB 1.206 33.123 31.823 0.157 0.000 0.974 201 V HN 0.377 nan 8.190 nan 0.000 0.480 202 L N 4.436 125.766 121.223 0.178 0.000 2.464 202 L HA 0.209 4.548 4.340 -0.001 0.000 0.264 202 L C 1.695 178.663 176.870 0.162 0.000 1.199 202 L CA -0.023 54.915 54.840 0.165 0.000 0.818 202 L CB 0.442 42.538 42.059 0.061 0.000 1.102 202 L HN 0.685 nan 8.230 nan 0.000 0.473 203 E N 0.228 120.481 120.200 0.089 0.000 2.208 203 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 203 E C 1.693 178.140 176.600 -0.256 0.000 0.988 203 E CA 1.347 57.656 56.400 -0.152 0.000 0.828 203 E CB -0.013 29.647 29.700 -0.066 0.000 0.763 203 E HN 0.753 nan 8.360 nan 0.000 0.478 204 S N 0.739 116.377 115.700 -0.104 0.000 2.607 204 S HA -0.023 4.447 4.470 -0.001 0.000 0.224 204 S C 0.497 175.081 174.600 -0.026 0.000 0.969 204 S CA 0.219 58.388 58.200 -0.053 0.000 0.927 204 S CB 0.128 63.325 63.200 -0.004 0.000 0.772 204 S HN -0.031 nan 8.310 nan 0.000 0.533 205 D N 0.968 121.350 120.400 -0.029 0.000 2.892 205 D HA 0.349 4.988 4.640 -0.001 0.000 0.291 205 D C 0.810 177.120 176.300 0.017 0.000 1.341 205 D CA -0.368 53.633 54.000 0.001 0.000 0.844 205 D CB 0.284 41.093 40.800 0.016 0.000 1.093 205 D HN 0.212 nan 8.370 nan 0.000 0.480 206 I N 0.428 120.999 120.570 0.003 0.000 2.133 206 I HA -0.015 4.154 4.170 -0.001 0.000 0.238 206 I C 1.950 178.088 176.117 0.036 0.000 1.074 206 I CA 1.725 63.000 61.300 -0.042 0.000 1.342 206 I CB -0.753 37.177 38.000 -0.117 0.000 1.053 206 I HN 0.356 nan 8.210 nan 0.000 0.404 207 G N 0.214 109.059 108.800 0.073 0.000 3.110 207 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.238 207 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.238 207 G C 0.068 174.941 174.900 -0.045 0.000 1.647 207 G CA 0.007 45.130 45.100 0.038 0.000 1.146 207 G HN 0.406 nan 8.290 nan 0.000 0.545 208 V N 0.060 119.937 119.914 -0.062 0.000 2.470 208 V HA 0.705 4.824 4.120 -0.001 0.000 0.276 208 V C 0.213 176.202 176.094 -0.174 0.000 1.040 208 V CA 0.221 62.433 62.300 -0.147 0.000 1.008 208 V CB 1.239 32.993 31.823 -0.115 0.000 0.990 208 V HN 0.800 nan 8.190 nan 0.000 0.477 209 K N 4.615 124.861 120.400 -0.256 0.000 2.535 209 K HA 0.481 4.800 4.320 -0.001 0.000 0.251 209 K C -1.890 174.616 176.600 -0.157 0.000 0.942 209 K CA -0.611 55.588 56.287 -0.147 0.000 0.798 209 K CB 2.059 34.510 32.500 -0.082 0.000 1.267 209 K HN 0.635 nan 8.250 nan 0.000 0.434 210 F N 2.997 122.965 119.950 0.031 0.000 2.313 210 F HA 0.209 4.735 4.527 -0.001 0.000 0.369 210 F C 0.869 176.679 175.800 0.017 0.000 1.109 210 F CA -0.517 57.493 58.000 0.017 0.000 1.132 210 F CB 0.860 39.858 39.000 -0.002 0.000 1.291 210 F HN 0.404 nan 8.300 nan 0.000 0.496 211 D N 0.561 121.077 120.400 0.194 0.000 2.549 211 D HA 0.324 4.963 4.640 -0.001 0.000 0.270 211 D C 0.885 177.268 176.300 0.137 0.000 1.181 211 D CA -0.095 54.002 54.000 0.163 0.000 1.070 211 D CB 1.849 42.781 40.800 0.220 0.000 1.154 211 D HN 0.468 nan 8.370 nan 0.000 0.602 212 T N -3.213 111.414 114.554 0.122 0.000 3.041 212 T HA 0.207 4.556 4.350 -0.001 0.000 0.276 212 T C 0.613 175.350 174.700 0.062 0.000 0.948 212 T CA -0.407 61.730 62.100 0.061 0.000 0.885 212 T CB 0.319 69.203 68.868 0.027 0.000 1.175 212 T HN 0.439 nan 8.240 nan 0.000 0.529 213 R N 1.071 121.670 120.500 0.165 0.000 2.643 213 R HA 0.551 4.890 4.340 -0.001 0.000 0.272 213 R C -0.442 176.003 176.300 0.242 0.000 0.995 213 R CA -0.928 55.265 56.100 0.154 0.000 1.032 213 R CB 0.438 30.785 30.300 0.078 0.000 1.126 213 R HN -0.026 nan 8.270 nan 0.000 0.505 214 N N 1.491 120.187 118.700 -0.006 0.000 2.420 214 N HA -0.005 4.734 4.740 -0.001 0.000 0.262 214 N C -0.305 175.296 175.510 0.153 0.000 1.144 214 N CA -0.017 53.079 53.050 0.077 0.000 0.952 214 N CB 0.386 38.631 38.487 -0.404 0.000 1.081 214 N HN 0.529 nan 8.380 nan 0.000 0.480 215 F N 2.452 122.329 119.950 -0.122 0.000 2.219 215 F HA 0.196 4.723 4.527 -0.001 0.000 0.294 215 F C 2.208 177.908 175.800 -0.166 0.000 1.086 215 F CA 0.514 58.364 58.000 -0.250 0.000 1.330 215 F CB -0.025 38.732 39.000 -0.405 0.000 1.047 215 F HN 0.443 nan 8.300 nan 0.000 0.495 216 R N 0.599 121.075 120.500 -0.040 0.000 2.366 216 R HA -0.031 4.308 4.340 -0.001 0.000 0.201 216 R C -0.425 175.814 176.300 -0.102 0.000 1.057 216 R CA 0.062 56.028 56.100 -0.224 0.000 1.086 216 R CB -0.762 29.115 30.300 -0.704 0.000 0.914 216 R HN 0.064 nan 8.270 nan 0.000 0.476 217 L N -0.279 120.938 121.223 -0.010 0.000 2.265 217 L HA 0.274 4.614 4.340 -0.001 0.000 0.288 217 L C 1.116 178.032 176.870 0.077 0.000 1.058 217 L CA 0.811 55.656 54.840 0.008 0.000 0.809 217 L CB 1.434 43.441 42.059 -0.086 0.000 1.179 217 L HN 0.380 nan 8.230 nan 0.000 0.429 218 G N 3.894 112.749 108.800 0.090 0.000 2.259 218 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.217 218 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.217 218 G C 0.371 175.345 174.900 0.124 0.000 1.001 218 G CA 0.015 45.170 45.100 0.090 0.000 0.627 218 G HN 0.546 nan 8.290 nan 0.000 0.501 219 F N 3.083 123.031 119.950 -0.003 0.000 2.607 219 F HA 0.457 4.983 4.527 -0.001 0.000 0.374 219 F C 0.258 176.043 175.800 -0.024 0.000 1.104 219 F CA 0.300 58.295 58.000 -0.009 0.000 1.296 219 F CB 0.642 39.633 39.000 -0.015 0.000 1.085 219 F HN 0.107 nan 8.300 nan 0.000 0.584 220 D N 7.668 127.742 120.400 -0.543 0.000 2.217 220 D HA 0.269 4.908 4.640 -0.001 0.000 0.243 220 D C -2.103 173.545 176.300 -1.086 0.000 1.054 220 D CA -2.026 51.626 54.000 -0.580 0.000 0.838 220 D CB 2.349 42.935 40.800 -0.357 0.000 1.162 220 D HN 0.261 nan 8.370 nan 0.000 0.472 221 P HA -0.046 nan 4.420 nan 0.000 0.229 221 P C 1.210 178.328 177.300 -0.304 0.000 1.160 221 P CA 0.473 63.305 63.100 -0.446 0.000 0.777 221 P CB 0.480 32.131 31.700 -0.081 0.000 0.814 222 V N -2.130 117.616 119.914 -0.280 0.000 3.125 222 V HA -0.043 4.076 4.120 -0.001 0.000 0.249 222 V C 2.019 177.991 176.094 -0.202 0.000 1.113 222 V CA 1.612 63.801 62.300 -0.185 0.000 1.106 222 V CB -1.687 30.056 31.823 -0.132 0.000 0.768 222 V HN 0.082 nan 8.190 nan 0.000 0.468 223 T N 0.488 114.876 114.554 -0.277 0.000 2.942 223 T HA 0.152 4.501 4.350 -0.001 0.000 0.265 223 T C 1.733 176.303 174.700 -0.216 0.000 1.062 223 T CA 1.346 63.303 62.100 -0.238 0.000 1.139 223 T CB -0.303 68.411 68.868 -0.256 0.000 0.883 223 T HN 0.856 nan 8.240 nan 0.000 0.468 224 G N 1.171 109.775 108.800 -0.327 0.000 2.155 224 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.257 224 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.257 224 G C -0.060 174.905 174.900 0.108 0.000 0.983 224 G CA 0.264 45.304 45.100 -0.099 0.000 0.676 224 G HN 0.527 nan 8.290 nan 0.000 0.528 225 L N -1.009 120.181 121.223 -0.055 0.000 2.415 225 L HA 0.606 4.945 4.340 -0.001 0.000 0.256 225 L C 0.328 177.249 176.870 0.085 0.000 1.010 225 L CA -1.561 53.343 54.840 0.107 0.000 0.826 225 L CB 2.153 44.216 42.059 0.007 0.000 1.405 225 L HN -0.121 nan 8.230 nan 0.000 0.410 226 V N 2.369 122.377 119.914 0.156 0.000 2.439 226 V HA 0.054 4.173 4.120 -0.001 0.000 0.271 226 V C 1.222 177.304 176.094 -0.020 0.000 1.040 226 V CA -0.166 62.196 62.300 0.103 0.000 1.002 226 V CB 1.058 32.944 31.823 0.106 0.000 1.000 226 V HN 0.727 nan 8.190 nan 0.000 0.477 227 M N 5.875 125.449 119.600 -0.043 0.000 2.175 227 M HA 0.023 4.502 4.480 -0.001 0.000 0.264 227 M C -0.434 175.823 176.300 -0.071 0.000 1.063 227 M CA 1.547 56.792 55.300 -0.091 0.000 1.119 227 M CB -1.445 31.087 32.600 -0.113 0.000 1.377 227 M HN 0.482 nan 8.290 nan 0.000 0.415 228 P HA 0.298 nan 4.420 nan 0.000 0.254 228 P C 0.699 177.967 177.300 -0.054 0.000 1.620 228 P CA 0.460 63.539 63.100 -0.035 0.000 1.050 228 P CB -0.154 31.537 31.700 -0.014 0.000 1.539 229 G N -0.472 108.276 108.800 -0.087 0.000 2.205 229 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.269 229 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.269 229 G C 0.041 174.836 174.900 -0.174 0.000 0.977 229 G CA 0.247 45.278 45.100 -0.115 0.000 0.652 229 G HN 0.452 nan 8.290 nan 0.000 0.539 230 V N 0.269 120.070 119.914 -0.189 0.000 2.623 230 V HA 0.493 4.612 4.120 -0.001 0.000 0.304 230 V C -0.170 175.802 176.094 -0.202 0.000 1.054 230 V CA -1.385 60.794 62.300 -0.202 0.000 0.882 230 V CB 1.492 33.266 31.823 -0.083 0.000 1.002 230 V HN 0.270 nan 8.190 nan 0.000 0.424 231 Y N 2.473 122.695 120.300 -0.130 0.000 2.544 231 Y HA 0.064 4.613 4.550 -0.001 0.000 0.330 231 Y C 1.527 177.313 175.900 -0.190 0.000 1.136 231 Y CA -0.100 57.865 58.100 -0.226 0.000 1.417 231 Y CB 0.437 38.582 38.460 -0.525 0.000 1.229 231 Y HN 0.595 nan 8.280 nan 0.000 0.532 232 T N 3.203 117.773 114.554 0.027 0.000 2.758 232 T HA -0.144 4.205 4.350 -0.001 0.000 0.249 232 T C 0.556 175.251 174.700 -0.008 0.000 1.011 232 T CA 0.029 62.130 62.100 0.002 0.000 1.301 232 T CB -0.765 68.103 68.868 0.001 0.000 0.992 232 T HN 0.518 nan 8.240 nan 0.000 0.549 233 N N 3.063 121.762 118.700 -0.001 0.000 3.117 233 N HA 0.064 4.803 4.740 -0.001 0.000 0.323 233 N C -0.187 175.342 175.510 0.032 0.000 1.245 233 N CA -0.041 53.011 53.050 0.003 0.000 1.191 233 N CB 0.159 38.644 38.487 -0.002 0.000 1.451 233 N HN 0.538 nan 8.380 nan 0.000 0.555 234 E N 0.294 120.543 120.200 0.082 0.000 2.218 234 E HA 0.520 4.869 4.350 -0.001 0.000 0.263 234 E C -0.979 175.772 176.600 0.252 0.000 0.879 234 E CA -0.843 55.648 56.400 0.151 0.000 0.762 234 E CB 1.294 31.130 29.700 0.227 0.000 1.166 234 E HN 0.344 nan 8.360 nan 0.000 0.415 235 A N 3.811 126.704 122.820 0.122 0.000 2.511 235 A HA 0.259 4.578 4.320 -0.001 0.000 0.242 235 A C -0.487 177.084 177.584 -0.023 0.000 1.069 235 A CA 0.237 52.303 52.037 0.049 0.000 0.763 235 A CB -0.037 18.933 19.000 -0.051 0.000 1.001 235 A HN 0.657 nan 8.150 nan 0.000 0.498 236 F N 2.460 122.197 119.950 -0.355 0.000 2.879 236 F HA 0.279 4.806 4.527 -0.001 0.000 0.354 236 F C 1.069 176.566 175.800 -0.505 0.000 1.291 236 F CA 0.174 57.916 58.000 -0.430 0.000 1.238 236 F CB -0.298 38.580 39.000 -0.202 0.000 1.005 236 F HN 0.889 nan 8.300 nan 0.000 0.508 237 H N -1.992 117.060 119.070 -0.029 0.000 1.562 237 H HA -0.198 4.358 4.556 -0.001 0.000 0.090 237 H C -2.004 173.275 175.328 -0.082 0.000 0.613 237 H CA 1.228 57.238 56.048 -0.063 0.000 1.889 237 H CB -2.427 27.298 29.762 -0.062 0.000 2.240 237 H HN 0.042 nan 8.280 nan 0.000 0.959 238 P HA 0.128 nan 4.420 nan 0.000 0.279 238 P C -0.649 176.647 177.300 -0.008 0.000 1.318 238 P CA 0.050 63.149 63.100 -0.002 0.000 0.819 238 P CB 0.153 31.897 31.700 0.074 0.000 0.927 239 D N 4.631 125.026 120.400 -0.009 0.000 2.586 239 D HA -0.072 4.567 4.640 -0.001 0.000 0.234 239 D C 0.799 177.181 176.300 0.137 0.000 1.132 239 D CA 0.451 54.473 54.000 0.037 0.000 0.860 239 D CB 0.488 41.292 40.800 0.006 0.000 1.159 239 D HN 0.189 nan 8.370 nan 0.000 0.490 240 I N 1.136 121.815 120.570 0.181 0.000 3.138 240 I HA 0.091 4.260 4.170 -0.001 0.000 0.288 240 I C 0.839 177.088 176.117 0.219 0.000 1.148 240 I CA -0.407 61.059 61.300 0.276 0.000 1.315 240 I CB 0.293 38.360 38.000 0.112 0.000 1.426 240 I HN 0.220 nan 8.210 nan 0.000 0.615 241 I N 4.154 124.849 120.570 0.208 0.000 2.389 241 I HA 0.395 4.564 4.170 -0.001 0.000 0.288 241 I C -0.965 175.130 176.117 -0.037 0.000 0.999 241 I CA -0.566 60.739 61.300 0.009 0.000 1.129 241 I CB 0.793 38.784 38.000 -0.016 0.000 1.288 241 I HN 0.268 nan 8.210 nan 0.000 0.444 242 L N 7.653 128.785 121.223 -0.151 0.000 2.307 242 L HA 0.723 5.063 4.340 -0.001 0.000 0.284 242 L C -0.699 176.082 176.870 -0.148 0.000 1.023 242 L CA -0.667 54.068 54.840 -0.176 0.000 0.810 242 L CB 1.322 43.213 42.059 -0.281 0.000 1.231 242 L HN 0.495 nan 8.230 nan 0.000 0.423 243 L N 2.732 123.921 121.223 -0.056 0.000 2.513 243 L HA 0.748 5.087 4.340 -0.001 0.000 0.261 243 L C -2.935 173.848 176.870 -0.146 0.000 0.945 243 L CA -1.532 53.265 54.840 -0.071 0.000 0.848 243 L CB 2.447 44.455 42.059 -0.085 0.000 1.334 243 L HN 0.258 nan 8.230 nan 0.000 0.407 244 P HA 0.337 nan 4.420 nan 0.000 0.308 244 P C 0.524 177.271 177.300 -0.922 0.000 1.497 244 P CA -0.138 62.400 63.100 -0.937 0.000 1.101 244 P CB 2.128 33.614 31.700 -0.357 0.000 1.095 245 G N 2.516 110.420 108.800 -1.493 0.000 2.302 245 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.263 245 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.263 245 G C 0.438 174.836 174.900 -0.836 0.000 0.995 245 G CA 0.763 45.412 45.100 -0.752 0.000 0.622 245 G HN 0.791 nan 8.290 nan 0.000 0.538 246 C N -1.950 116.972 119.300 -0.630 0.000 3.462 246 C HA 1.113 5.572 4.460 -0.001 0.000 0.298 246 C C 1.040 175.854 174.990 -0.294 0.000 3.205 246 C CA -0.004 58.705 59.018 -0.515 0.000 1.845 246 C CB 1.271 28.814 27.740 -0.328 0.000 3.397 246 C HN 2.142 nan 8.230 nan 0.000 0.473 247 G N -1.121 107.558 108.800 -0.201 0.000 2.322 247 G HA2 0.600 4.559 3.960 -0.001 0.000 0.295 247 G HA3 0.600 4.559 3.960 -0.001 0.000 0.295 247 G C -1.196 173.759 174.900 0.091 0.000 1.369 247 G CA 0.175 45.247 45.100 -0.046 0.000 0.821 247 G HN 1.904 nan 8.290 nan 0.000 0.536 248 V N -2.332 117.635 119.914 0.087 0.000 3.234 248 V HA 0.963 5.082 4.120 -0.001 0.000 0.317 248 V C -0.617 175.401 176.094 -0.127 0.000 1.147 248 V CA -0.596 61.722 62.300 0.031 0.000 1.037 248 V CB 2.025 33.858 31.823 0.017 0.000 1.148 248 V HN 1.106 nan 8.190 nan 0.000 0.455 249 D N -0.901 119.200 120.400 -0.498 0.000 2.548 249 D HA 0.422 5.062 4.640 -0.001 0.000 0.214 249 D C -1.178 174.614 176.300 -0.846 0.000 1.345 249 D CA -0.344 53.312 54.000 -0.573 0.000 0.945 249 D CB 1.102 41.587 40.800 -0.526 0.000 1.499 249 D HN 0.417 nan 8.370 nan 0.000 0.579 250 F N 2.516 122.429 119.950 -0.062 0.000 2.850 250 F HA 0.235 4.761 4.527 -0.001 0.000 0.306 250 F C 2.098 177.920 175.800 0.036 0.000 1.162 250 F CA -0.417 57.601 58.000 0.031 0.000 1.327 250 F CB 0.992 40.022 39.000 0.049 0.000 0.953 250 F HN 0.389 nan 8.300 nan 0.000 0.507 251 T N -0.770 113.730 114.554 -0.091 0.000 2.929 251 T HA -0.140 4.209 4.350 -0.001 0.000 0.271 251 T C 0.796 175.321 174.700 -0.292 0.000 1.085 251 T CA 1.434 63.414 62.100 -0.200 0.000 1.125 251 T CB -0.262 68.371 68.868 -0.390 0.000 0.874 251 T HN 0.301 nan 8.240 nan 0.000 0.494 252 H N -0.122 118.911 119.070 -0.061 0.000 2.716 252 H HA 0.540 5.095 4.556 -0.001 0.000 0.230 252 H C -0.665 174.603 175.328 -0.099 0.000 1.401 252 H CA -0.302 55.660 56.048 -0.143 0.000 1.168 252 H CB 0.262 29.848 29.762 -0.294 0.000 1.935 252 H HN 0.090 nan 8.280 nan 0.000 0.538 253 S N 0.121 115.926 115.700 0.174 0.000 2.556 253 S HA 0.421 4.890 4.470 -0.001 0.000 0.271 253 S C 0.524 175.250 174.600 0.209 0.000 1.135 253 S CA -0.640 57.692 58.200 0.220 0.000 0.858 253 S CB 1.891 65.296 63.200 0.342 0.000 1.114 253 S HN 0.462 nan 8.310 nan 0.000 0.468 254 R N 2.076 122.662 120.500 0.143 0.000 2.362 254 R HA 0.355 4.694 4.340 -0.001 0.000 0.227 254 R C 1.329 177.616 176.300 -0.021 0.000 0.905 254 R CA 0.075 56.210 56.100 0.058 0.000 1.067 254 R CB -0.072 30.245 30.300 0.028 0.000 1.078 254 R HN 0.591 nan 8.270 nan 0.000 0.516 255 L N 0.552 121.766 121.223 -0.015 0.000 2.265 255 L HA -0.171 4.168 4.340 -0.001 0.000 0.215 255 L C 1.990 178.603 176.870 -0.429 0.000 1.117 255 L CA 1.311 56.045 54.840 -0.177 0.000 0.782 255 L CB -0.156 41.820 42.059 -0.138 0.000 0.914 255 L HN 0.227 nan 8.230 nan 0.000 0.441 256 S N -1.233 114.169 115.700 -0.496 0.000 2.442 256 S HA -0.171 4.298 4.470 -0.001 0.000 0.236 256 S C 1.738 176.151 174.600 -0.311 0.000 1.007 256 S CA 1.059 58.878 58.200 -0.635 0.000 0.965 256 S CB -0.458 62.626 63.200 -0.195 0.000 0.773 256 S HN 0.493 nan 8.310 nan 0.000 0.504 257 N N 1.085 119.664 118.700 -0.202 0.000 2.216 257 N HA 0.039 4.778 4.740 -0.001 0.000 0.183 257 N C 1.595 176.997 175.510 -0.179 0.000 1.017 257 N CA 0.715 53.670 53.050 -0.159 0.000 0.861 257 N CB -0.302 38.117 38.487 -0.113 0.000 0.986 257 N HN 0.237 nan 8.380 nan 0.000 0.428 258 L N 1.859 122.957 121.223 -0.208 0.000 2.042 258 L HA -0.061 4.278 4.340 -0.001 0.000 0.210 258 L C 2.079 178.812 176.870 -0.229 0.000 1.076 258 L CA 1.281 55.998 54.840 -0.204 0.000 0.749 258 L CB -1.074 40.850 42.059 -0.225 0.000 0.893 258 L HN 0.148 nan 8.230 nan 0.000 0.432 259 L N -0.612 120.424 121.223 -0.311 0.000 2.201 259 L HA 0.059 4.398 4.340 -0.001 0.000 0.212 259 L C 1.465 178.190 176.870 -0.242 0.000 1.105 259 L CA 0.740 55.401 54.840 -0.298 0.000 0.775 259 L CB -0.793 41.029 42.059 -0.396 0.000 0.913 259 L HN 0.506 nan 8.230 nan 0.000 0.440 260 G N 1.073 109.735 108.800 -0.229 0.000 2.212 260 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.255 260 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.255 260 G C -0.201 174.544 174.900 -0.259 0.000 1.062 260 G CA -0.111 44.879 45.100 -0.183 0.000 0.815 260 G HN 0.281 nan 8.290 nan 0.000 0.497 261 I N -0.234 120.147 120.570 -0.315 0.000 2.436 261 I HA 0.673 4.842 4.170 -0.001 0.000 0.289 261 I C 0.251 176.328 176.117 -0.066 0.000 1.010 261 I CA -0.864 60.222 61.300 -0.357 0.000 1.098 261 I CB 1.999 39.578 38.000 -0.702 0.000 1.266 261 I HN 0.132 nan 8.210 nan 0.000 0.434 262 R N 5.019 125.478 120.500 -0.068 0.000 2.651 262 R HA 0.392 4.731 4.340 -0.001 0.000 0.278 262 R C -1.033 175.100 176.300 -0.278 0.000 1.010 262 R CA -0.953 55.019 56.100 -0.213 0.000 0.896 262 R CB 2.218 32.423 30.300 -0.157 0.000 1.211 262 R HN 0.557 nan 8.270 nan 0.000 0.456 263 K N 2.471 122.485 120.400 -0.644 0.000 2.484 263 K HA -0.059 4.260 4.320 -0.001 0.000 0.280 263 K C 1.145 177.624 176.600 -0.201 0.000 1.013 263 K CA 0.377 56.400 56.287 -0.440 0.000 1.029 263 K CB 0.680 32.853 32.500 -0.545 0.000 0.902 263 K HN 0.458 nan 8.250 nan 0.000 0.481 264 R N 2.090 122.525 120.500 -0.108 0.000 2.189 264 R HA -0.153 4.186 4.340 -0.001 0.000 0.223 264 R C 0.198 176.464 176.300 -0.058 0.000 1.092 264 R CA 1.405 57.481 56.100 -0.040 0.000 0.989 264 R CB 0.228 30.535 30.300 0.013 0.000 0.876 264 R HN 0.566 nan 8.270 nan 0.000 0.457 265 Q N -0.466 119.270 119.800 -0.107 0.000 2.700 265 Q HA 0.296 4.635 4.340 -0.001 0.000 0.249 265 Q C -2.311 173.663 176.000 -0.042 0.000 1.033 265 Q CA -1.769 53.998 55.803 -0.060 0.000 0.804 265 Q CB 1.780 30.460 28.738 -0.096 0.000 1.164 265 Q HN 0.000 nan 8.270 nan 0.000 0.500 266 P HA 0.067 nan 4.420 nan 0.000 0.257 266 P C -0.259 177.010 177.300 -0.051 0.000 1.281 266 P CA 0.057 63.108 63.100 -0.082 0.000 0.826 266 P CB 0.085 31.706 31.700 -0.131 0.000 1.237 267 F N -0.125 119.777 119.950 -0.080 0.000 2.743 267 F HA 0.172 4.698 4.527 -0.001 0.000 0.297 267 F C 1.456 177.231 175.800 -0.041 0.000 1.131 267 F CA 0.078 58.050 58.000 -0.046 0.000 1.426 267 F CB -0.402 38.579 39.000 -0.032 0.000 1.116 267 F HN -0.080 nan 8.300 nan 0.000 0.583 268 Q N 2.336 122.191 119.800 0.091 0.000 2.359 268 Q HA -0.036 4.304 4.340 -0.001 0.000 0.249 268 Q C 0.168 176.176 176.000 0.014 0.000 1.181 268 Q CA 0.057 55.879 55.803 0.031 0.000 0.897 268 Q CB -0.122 28.601 28.738 -0.025 0.000 1.424 268 Q HN 0.317 nan 8.270 nan 0.000 0.478 269 E N 3.471 123.688 120.200 0.028 0.000 2.498 269 E HA 0.211 4.560 4.350 -0.001 0.000 0.252 269 E C -0.554 176.058 176.600 0.021 0.000 1.025 269 E CA 0.771 57.183 56.400 0.020 0.000 0.938 269 E CB -0.226 29.492 29.700 0.031 0.000 0.947 269 E HN 0.862 nan 8.360 nan 0.000 0.478 270 G N 4.784 113.602 108.800 0.029 0.000 2.491 270 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.508 270 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.508 270 G C -1.253 173.768 174.900 0.200 0.000 1.143 270 G CA -0.614 44.517 45.100 0.052 0.000 1.277 270 G HN 0.411 nan 8.290 nan 0.000 0.599 271 F N 4.570 124.530 119.950 0.016 0.000 2.291 271 F HA 0.724 5.250 4.527 -0.001 0.000 0.368 271 F C 0.380 176.237 175.800 0.096 0.000 1.085 271 F CA -1.632 56.434 58.000 0.110 0.000 1.165 271 F CB 0.699 39.778 39.000 0.131 0.000 1.429 271 F HN 0.561 nan 8.300 nan 0.000 0.503 272 R N 8.047 128.642 120.500 0.158 0.000 2.476 272 R HA 0.643 4.982 4.340 -0.001 0.000 0.305 272 R C -1.734 174.582 176.300 0.026 0.000 0.965 272 R CA -0.719 55.363 56.100 -0.030 0.000 0.867 272 R CB 1.324 31.604 30.300 -0.033 0.000 1.176 272 R HN 0.707 nan 8.270 nan 0.000 0.447 273 I N 0.585 121.116 120.570 -0.065 0.000 2.433 273 I HA 0.553 4.722 4.170 -0.001 0.000 0.292 273 I C -0.754 175.369 176.117 0.011 0.000 1.001 273 I CA -0.564 60.719 61.300 -0.028 0.000 1.119 273 I CB 2.315 40.305 38.000 -0.017 0.000 1.289 273 I HN 0.556 nan 8.210 nan 0.000 0.438 274 T N 2.923 117.473 114.554 -0.007 0.000 2.926 274 T HA 0.298 4.647 4.350 -0.001 0.000 0.289 274 T C 0.367 175.085 174.700 0.031 0.000 1.054 274 T CA -0.282 61.821 62.100 0.006 0.000 1.015 274 T CB 1.148 70.013 68.868 -0.005 0.000 1.167 274 T HN 0.626 nan 8.240 nan 0.000 0.526 275 Y N 1.535 121.758 120.300 -0.128 0.000 2.207 275 Y HA -0.116 4.433 4.550 -0.001 0.000 0.287 275 Y C 1.890 177.719 175.900 -0.118 0.000 1.156 275 Y CA 2.264 60.291 58.100 -0.121 0.000 1.182 275 Y CB -0.251 38.122 38.460 -0.145 0.000 0.979 275 Y HN 0.667 nan 8.280 nan 0.000 0.521 276 D N -0.165 120.197 120.400 -0.062 0.000 2.178 276 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 276 D C 1.497 177.682 176.300 -0.191 0.000 0.980 276 D CA 1.540 55.440 54.000 -0.167 0.000 0.842 276 D CB -0.225 40.510 40.800 -0.109 0.000 0.948 276 D HN 0.464 nan 8.370 nan 0.000 0.472 277 D N -0.236 120.057 120.400 -0.179 0.000 2.249 277 D HA -0.012 4.627 4.640 -0.001 0.000 0.205 277 D C 1.616 177.814 176.300 -0.170 0.000 0.962 277 D CA 0.118 53.969 54.000 -0.248 0.000 0.860 277 D CB 0.013 40.603 40.800 -0.349 0.000 0.955 277 D HN 0.129 nan 8.370 nan 0.000 0.505 278 L N 1.088 122.245 121.223 -0.110 0.000 2.645 278 L HA 0.080 4.419 4.340 -0.001 0.000 0.235 278 L C 0.656 177.437 176.870 -0.148 0.000 1.150 278 L CA 0.194 54.992 54.840 -0.070 0.000 0.911 278 L CB -0.514 41.549 42.059 0.007 0.000 1.077 278 L HN -0.101 nan 8.230 nan 0.000 0.438 279 E N -0.243 119.843 120.200 -0.190 0.000 2.558 279 E HA 0.210 4.559 4.350 -0.001 0.000 0.255 279 E C 1.245 177.739 176.600 -0.178 0.000 0.968 279 E CA 0.947 57.222 56.400 -0.209 0.000 0.939 279 E CB 0.132 29.720 29.700 -0.188 0.000 0.921 279 E HN 0.366 nan 8.360 nan 0.000 0.477 280 G N 2.592 111.272 108.800 -0.200 0.000 2.253 280 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.209 280 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.209 280 G C 0.757 175.507 174.900 -0.250 0.000 0.997 280 G CA 0.184 45.169 45.100 -0.191 0.000 0.640 280 G HN 0.779 nan 8.290 nan 0.000 0.496 281 G N 0.504 109.149 108.800 -0.258 0.000 2.662 281 G HA2 0.206 4.165 3.960 -0.001 0.000 0.215 281 G HA3 0.206 4.165 3.960 -0.001 0.000 0.215 281 G C 0.686 175.358 174.900 -0.380 0.000 1.310 281 G CA 1.037 45.969 45.100 -0.279 0.000 0.849 281 G HN 1.185 nan 8.290 nan 0.000 0.568 282 N N 0.497 118.993 118.700 -0.340 0.000 2.608 282 N HA -0.150 4.589 4.740 -0.001 0.000 0.273 282 N C 0.415 175.669 175.510 -0.426 0.000 1.133 282 N CA 0.873 53.686 53.050 -0.395 0.000 0.726 282 N CB -1.260 36.853 38.487 -0.624 0.000 0.890 282 N HN 0.764 nan 8.380 nan 0.000 0.548 283 I N -0.486 119.919 120.570 -0.275 0.000 3.015 283 I HA 0.051 4.220 4.170 -0.001 0.000 0.309 283 I C -1.618 174.496 176.117 -0.004 0.000 1.229 283 I CA -0.621 60.562 61.300 -0.194 0.000 1.430 283 I CB 0.179 38.043 38.000 -0.228 0.000 1.347 283 I HN 0.159 nan 8.210 nan 0.000 0.544 284 P HA 0.111 nan 4.420 nan 0.000 0.270 284 P C -0.246 177.320 177.300 0.443 0.000 1.223 284 P CA -0.200 63.095 63.100 0.325 0.000 0.785 284 P CB 0.574 32.468 31.700 0.324 0.000 0.923 285 A N 2.546 125.614 122.820 0.415 0.000 2.366 285 A HA 0.247 4.566 4.320 -0.001 0.000 0.249 285 A C 1.148 178.899 177.584 0.277 0.000 1.084 285 A CA -0.415 51.837 52.037 0.358 0.000 0.794 285 A CB -0.476 18.686 19.000 0.270 0.000 1.034 285 A HN 0.555 nan 8.150 nan 0.000 0.491 286 L N -0.433 120.897 121.223 0.177 0.000 2.483 286 L HA 0.388 4.727 4.340 -0.001 0.000 0.159 286 L C 0.104 176.974 176.870 0.000 0.000 1.273 286 L CA 0.251 55.067 54.840 -0.040 0.000 2.526 286 L CB -0.109 41.896 42.059 -0.090 0.000 2.598 286 L HN 0.698 nan 8.230 nan 0.000 0.766 287 L N -0.443 120.762 121.223 -0.030 0.000 2.847 287 L HA 0.196 4.536 4.340 -0.001 0.000 0.261 287 L C -1.160 175.692 176.870 -0.029 0.000 0.926 287 L CA -0.504 54.317 54.840 -0.033 0.000 1.010 287 L CB 1.444 43.461 42.059 -0.069 0.000 1.538 287 L HN 0.291 nan 8.230 nan 0.000 0.465 288 D N 3.866 124.256 120.400 -0.017 0.000 2.383 288 D HA 0.041 4.680 4.640 -0.001 0.000 0.275 288 D C 1.388 177.702 176.300 0.023 0.000 1.344 288 D CA 0.382 54.377 54.000 -0.008 0.000 0.984 288 D CB 1.207 42.004 40.800 -0.006 0.000 1.104 288 D HN 0.466 nan 8.370 nan 0.000 0.524 289 V N 3.453 123.378 119.914 0.018 0.000 2.250 289 V HA -0.308 3.811 4.120 -0.001 0.000 0.250 289 V C 1.765 177.906 176.094 0.079 0.000 1.060 289 V CA 1.911 64.242 62.300 0.050 0.000 1.030 289 V CB -0.618 31.221 31.823 0.026 0.000 0.643 289 V HN 0.412 nan 8.190 nan 0.000 0.445 290 D N 0.903 121.327 120.400 0.039 0.000 2.224 290 D HA 0.110 4.750 4.640 -0.001 0.000 0.205 290 D C 1.617 177.936 176.300 0.032 0.000 0.965 290 D CA 1.202 55.217 54.000 0.025 0.000 0.852 290 D CB -0.308 40.495 40.800 0.005 0.000 0.947 290 D HN 0.537 nan 8.370 nan 0.000 0.494 291 A N -0.950 121.899 122.820 0.047 0.000 2.648 291 A HA 0.217 4.536 4.320 -0.001 0.000 0.269 291 A C 0.389 178.051 177.584 0.130 0.000 1.392 291 A CA -0.045 52.025 52.037 0.055 0.000 1.019 291 A CB -0.606 18.413 19.000 0.031 0.000 1.009 291 A HN 0.433 nan 8.150 nan 0.000 0.565 292 Y N -2.678 117.609 120.300 -0.021 0.000 3.215 292 Y HA 0.074 4.623 4.550 -0.001 0.000 0.206 292 Y C 1.663 177.552 175.900 -0.018 0.000 1.054 292 Y CA 0.679 58.766 58.100 -0.021 0.000 1.550 292 Y CB -0.016 38.429 38.460 -0.023 0.000 1.434 292 Y HN 0.184 nan 8.280 nan 0.000 0.391 293 Q N 1.071 120.814 119.800 -0.095 0.000 2.083 293 Q HA 0.086 4.425 4.340 -0.001 0.000 0.198 293 Q C 1.787 177.700 176.000 -0.145 0.000 0.969 293 Q CA 1.550 57.233 55.803 -0.199 0.000 0.838 293 Q CB 0.061 28.798 28.738 -0.002 0.000 0.900 293 Q HN 0.589 nan 8.270 nan 0.000 0.436 294 A N 0.608 123.385 122.820 -0.072 0.000 2.251 294 A HA 0.048 4.367 4.320 -0.001 0.000 0.209 294 A C 0.749 178.295 177.584 -0.064 0.000 1.187 294 A CA 0.479 52.481 52.037 -0.058 0.000 0.823 294 A CB 0.040 19.023 19.000 -0.029 0.000 0.846 294 A HN 0.251 nan 8.150 nan 0.000 0.486 295 S N 0.379 116.029 115.700 -0.082 0.000 2.601 295 S HA 0.736 5.206 4.470 -0.001 0.000 0.312 295 S C -0.464 174.079 174.600 -0.095 0.000 1.107 295 S CA -0.664 57.496 58.200 -0.068 0.000 1.129 295 S CB 0.365 63.547 63.200 -0.031 0.000 0.982 295 S HN 0.217 nan 8.310 nan 0.000 0.469 313 K N 0.394 120.814 120.400 0.033 0.000 2.345 313 K HA 0.756 5.075 4.320 -0.001 0.000 0.255 313 K C -2.460 174.180 176.600 0.068 0.000 0.934 313 K CA -1.229 55.100 56.287 0.071 0.000 0.801 313 K CB 1.824 34.386 32.500 0.103 0.000 1.137 313 K HN -0.113 nan 8.250 nan 0.000 0.424 314 P HA 0.073 nan 4.420 nan 0.000 0.266 314 P C 1.230 178.569 177.300 0.065 0.000 1.561 314 P CA -0.347 62.794 63.100 0.069 0.000 1.089 314 P CB 0.018 31.758 31.700 0.066 0.000 1.534 315 V N -0.122 119.825 119.914 0.055 0.000 2.277 315 V HA -0.298 3.821 4.120 -0.001 0.000 0.255 315 V C 1.955 178.008 176.094 -0.069 0.000 1.074 315 V CA 2.198 64.464 62.300 -0.056 0.000 1.058 315 V CB -2.025 29.721 31.823 -0.129 0.000 0.656 315 V HN 0.297 nan 8.190 nan 0.000 0.449 316 I N -0.176 120.368 120.570 -0.043 0.000 3.518 316 I HA 0.277 4.446 4.170 -0.001 0.000 0.305 316 I C 0.670 176.772 176.117 -0.025 0.000 1.204 316 I CA 0.334 61.608 61.300 -0.043 0.000 1.211 316 I CB -0.777 37.197 38.000 -0.044 0.000 1.018 316 I HN 0.227 nan 8.210 nan 0.000 0.500 317 K N 3.413 123.801 120.400 -0.019 0.000 2.334 317 K HA 0.534 4.853 4.320 -0.001 0.000 0.265 317 K C -2.614 173.982 176.600 -0.006 0.000 1.039 317 K CA -2.586 53.696 56.287 -0.008 0.000 0.920 317 K CB 0.866 33.367 32.500 0.002 0.000 1.160 317 K HN 0.071 nan 8.250 nan 0.000 0.451 318 P HA 0.015 nan 4.420 nan 0.000 0.272 318 P C -0.428 176.877 177.300 0.008 0.000 1.230 318 P CA -0.440 62.678 63.100 0.030 0.000 0.788 318 P CB 0.733 32.468 31.700 0.058 0.000 0.949 319 L N 2.125 123.355 121.223 0.012 0.000 2.437 319 L HA 0.054 4.393 4.340 -0.001 0.000 0.243 319 L C 1.938 178.703 176.870 -0.174 0.000 1.346 319 L CA 0.289 55.086 54.840 -0.072 0.000 1.233 319 L CB -1.195 40.825 42.059 -0.065 0.000 1.436 319 L HN 0.476 nan 8.230 nan 0.000 0.416 320 T N 0.709 115.198 114.554 -0.108 0.000 2.684 320 T HA -0.229 4.120 4.350 -0.001 0.000 0.267 320 T C 0.817 175.380 174.700 -0.228 0.000 1.032 320 T CA 2.137 64.175 62.100 -0.104 0.000 1.155 320 T CB 0.067 68.902 68.868 -0.056 0.000 0.857 320 T HN 0.697 nan 8.240 nan 0.000 0.457 321 E N -0.692 119.310 120.200 -0.330 0.000 2.428 321 E HA 0.579 4.928 4.350 -0.001 0.000 0.259 321 E C -1.434 174.848 176.600 -0.530 0.000 0.930 321 E CA -0.963 55.215 56.400 -0.370 0.000 0.823 321 E CB 1.308 30.904 29.700 -0.174 0.000 1.403 321 E HN 0.059 nan 8.360 nan 0.000 0.415 322 D N -0.794 119.406 120.400 -0.334 0.000 2.857 322 D HA 0.216 4.855 4.640 -0.001 0.000 0.227 322 D C 0.356 176.610 176.300 -0.075 0.000 1.192 322 D CA -0.293 53.582 54.000 -0.208 0.000 0.857 322 D CB 1.960 42.702 40.800 -0.096 0.000 1.645 322 D HN 0.341 nan 8.370 nan 0.000 0.482 323 S N 2.230 117.903 115.700 -0.046 0.000 2.231 323 S HA -0.348 4.122 4.470 -0.001 0.000 0.510 323 S C 0.795 175.388 174.600 -0.012 0.000 0.966 323 S CA 2.265 60.455 58.200 -0.017 0.000 3.134 323 S CB -0.400 62.804 63.200 0.006 0.000 2.216 323 S HN 0.589 nan 8.310 nan 0.000 0.542 324 K N 1.435 121.837 120.400 0.004 0.000 3.226 324 K HA 0.207 4.526 4.320 -0.001 0.000 0.268 324 K C 0.016 176.618 176.600 0.004 0.000 1.217 324 K CA -0.017 56.275 56.287 0.009 0.000 1.242 324 K CB 0.097 32.610 32.500 0.023 0.000 1.389 324 K HN 0.385 nan 8.250 nan 0.000 0.406 325 K N 2.168 122.557 120.400 -0.018 0.000 3.974 325 K HA -0.219 4.100 4.320 -0.001 0.000 0.280 325 K C -1.462 175.124 176.600 -0.023 0.000 0.949 325 K CA 0.613 56.882 56.287 -0.030 0.000 0.817 325 K CB -0.538 31.950 32.500 -0.020 0.000 1.535 325 K HN 0.460 nan 8.250 nan 0.000 0.444 326 R N 1.312 121.793 120.500 -0.033 0.000 2.388 326 R HA 0.211 4.550 4.340 -0.001 0.000 0.314 326 R C 0.135 176.436 176.300 0.003 0.000 0.959 326 R CA -0.465 55.638 56.100 0.006 0.000 0.851 326 R CB 1.530 31.860 30.300 0.050 0.000 1.168 326 R HN 0.373 nan 8.270 nan 0.000 0.472 327 S N 2.062 117.770 115.700 0.014 0.000 2.572 327 S HA 0.048 4.517 4.470 -0.001 0.000 0.279 327 S C 0.335 175.064 174.600 0.214 0.000 1.341 327 S CA -0.298 57.917 58.200 0.024 0.000 1.043 327 S CB 0.334 63.535 63.200 0.001 0.000 0.887 327 S HN 0.720 nan 8.310 nan 0.000 0.516 328 Y N 1.091 121.377 120.300 -0.023 0.000 2.468 328 Y HA 0.206 4.756 4.550 -0.001 0.000 0.268 328 Y C 0.673 176.495 175.900 -0.131 0.000 1.177 328 Y CA -0.768 57.323 58.100 -0.015 0.000 1.265 328 Y CB -0.225 38.279 38.460 0.072 0.000 1.103 328 Y HN 0.761 nan 8.280 nan 0.000 0.522 329 N N 1.356 120.060 118.700 0.007 0.000 2.714 329 N HA -0.210 4.529 4.740 -0.001 0.000 0.252 329 N C -0.760 174.733 175.510 -0.029 0.000 1.014 329 N CA 0.342 53.341 53.050 -0.085 0.000 0.735 329 N CB -1.647 36.679 38.487 -0.267 0.000 0.924 329 N HN 0.381 nan 8.380 nan 0.000 0.540 330 L N 0.794 122.046 121.223 0.049 0.000 2.456 330 L HA 0.112 4.451 4.340 -0.001 0.000 0.272 330 L C 2.426 179.332 176.870 0.059 0.000 1.189 330 L CA -0.599 54.291 54.840 0.082 0.000 0.846 330 L CB 0.292 42.415 42.059 0.107 0.000 1.111 330 L HN 0.085 nan 8.230 nan 0.000 0.475 331 I N 0.108 120.728 120.570 0.083 0.000 2.113 331 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 331 I C 0.923 177.068 176.117 0.048 0.000 1.064 331 I CA 1.618 62.961 61.300 0.073 0.000 1.320 331 I CB -0.751 37.312 38.000 0.104 0.000 1.028 331 I HN 0.681 nan 8.210 nan 0.000 0.406 332 S N -0.825 114.901 115.700 0.044 0.000 2.705 332 S HA 0.333 4.802 4.470 -0.001 0.000 0.280 332 S C 0.674 175.288 174.600 0.024 0.000 1.174 332 S CA -0.682 57.534 58.200 0.026 0.000 0.823 332 S CB 1.960 65.171 63.200 0.018 0.000 1.162 332 S HN 0.105 nan 8.310 nan 0.000 0.487 333 N N 1.015 119.723 118.700 0.013 0.000 2.309 333 N HA -0.082 4.657 4.740 -0.001 0.000 0.182 333 N C 0.600 176.111 175.510 0.003 0.000 1.018 333 N CA 1.217 54.272 53.050 0.008 0.000 0.876 333 N CB -0.285 38.203 38.487 0.002 0.000 0.972 333 N HN 0.524 nan 8.380 nan 0.000 0.434 334 D N -0.230 120.169 120.400 -0.003 0.000 2.117 334 D HA -0.050 4.589 4.640 -0.001 0.000 0.197 334 D C 0.683 176.967 176.300 -0.027 0.000 0.987 334 D CA 0.707 54.698 54.000 -0.016 0.000 0.829 334 D CB -0.104 40.685 40.800 -0.018 0.000 0.961 334 D HN -0.058 nan 8.370 nan 0.000 0.460 335 S N -0.568 115.126 115.700 -0.011 0.000 2.549 335 S HA 0.095 4.564 4.470 -0.001 0.000 0.283 335 S C 1.246 175.840 174.600 -0.010 0.000 1.320 335 S CA -0.012 58.176 58.200 -0.021 0.000 1.058 335 S CB 0.670 63.900 63.200 0.050 0.000 0.882 335 S HN 0.358 nan 8.310 nan 0.000 0.498 336 T N 2.398 116.890 114.554 -0.104 0.000 3.122 336 T HA 0.347 4.696 4.350 -0.001 0.000 0.250 336 T C 0.098 174.897 174.700 0.165 0.000 1.067 336 T CA -0.230 61.849 62.100 -0.035 0.000 0.966 336 T CB -0.494 68.315 68.868 -0.099 0.000 1.002 336 T HN 0.439 nan 8.240 nan 0.000 0.542 337 F N 1.459 121.462 119.950 0.088 0.000 2.575 337 F HA 0.614 5.140 4.527 -0.001 0.000 0.330 337 F C 0.837 176.691 175.800 0.089 0.000 1.056 337 F CA -1.564 56.487 58.000 0.084 0.000 0.964 337 F CB 1.747 40.769 39.000 0.037 0.000 1.258 337 F HN -0.033 nan 8.300 nan 0.000 0.484 338 T N -1.769 112.947 114.554 0.270 0.000 2.944 338 T HA 0.202 4.551 4.350 -0.001 0.000 0.284 338 T C 0.314 175.072 174.700 0.096 0.000 1.010 338 T CA -0.624 61.574 62.100 0.164 0.000 1.025 338 T CB 1.701 70.673 68.868 0.172 0.000 1.079 338 T HN 0.716 nan 8.240 nan 0.000 0.516 339 Q N -0.018 119.798 119.800 0.027 0.000 2.472 339 Q HA 0.065 4.404 4.340 -0.001 0.000 0.208 339 Q C -0.427 175.638 176.000 0.110 0.000 0.958 339 Q CA 0.401 56.238 55.803 0.056 0.000 0.932 339 Q CB -0.080 28.651 28.738 -0.011 0.000 1.007 339 Q HN 0.683 nan 8.270 nan 0.000 0.508 340 Y N 0.752 121.067 120.300 0.024 0.000 2.496 340 Y HA 0.142 4.691 4.550 -0.001 0.000 0.334 340 Y C 0.454 176.311 175.900 -0.072 0.000 1.080 340 Y CA -0.511 57.568 58.100 -0.035 0.000 1.355 340 Y CB 0.506 38.922 38.460 -0.072 0.000 1.193 340 Y HN -0.096 nan 8.280 nan 0.000 0.523 341 R N 1.779 122.364 120.500 0.142 0.000 2.532 341 R HA 0.396 4.735 4.340 -0.001 0.000 0.295 341 R C -0.892 175.346 176.300 -0.103 0.000 0.968 341 R CA -0.464 55.640 56.100 0.006 0.000 0.916 341 R CB 1.667 32.035 30.300 0.112 0.000 1.124 341 R HN 0.536 nan 8.270 nan 0.000 0.463 342 S N 2.551 118.136 115.700 -0.192 0.000 2.519 342 S HA 0.138 4.607 4.470 -0.001 0.000 0.309 342 S C 0.223 174.762 174.600 -0.101 0.000 1.100 342 S CA -0.783 57.291 58.200 -0.209 0.000 1.059 342 S CB 0.542 63.476 63.200 -0.442 0.000 1.008 342 S HN 0.759 nan 8.310 nan 0.000 0.478 343 W N 5.704 126.983 121.300 -0.035 0.000 2.335 343 W HA -0.192 4.467 4.660 -0.001 0.000 0.311 343 W C 1.510 178.129 176.519 0.167 0.000 1.213 343 W CA 1.805 59.189 57.345 0.065 0.000 1.274 343 W CB -0.641 28.868 29.460 0.081 0.000 1.148 343 W HN 0.966 nan 8.180 nan 0.000 0.498 344 Y N 0.631 120.719 120.300 -0.353 0.000 2.207 344 Y HA -0.222 4.328 4.550 -0.001 0.000 0.287 344 Y C 2.196 177.903 175.900 -0.322 0.000 1.156 344 Y CA 2.359 60.231 58.100 -0.379 0.000 1.182 344 Y CB -0.795 37.648 38.460 -0.028 0.000 0.979 344 Y HN -0.019 nan 8.280 nan 0.000 0.521 345 L N -0.965 120.126 121.223 -0.220 0.000 2.179 345 L HA -0.045 4.294 4.340 -0.001 0.000 0.208 345 L C 2.678 179.404 176.870 -0.239 0.000 1.096 345 L CA 0.856 55.591 54.840 -0.175 0.000 0.779 345 L CB -0.960 41.007 42.059 -0.154 0.000 0.922 345 L HN 0.201 nan 8.230 nan 0.000 0.443 346 A N -0.531 122.098 122.820 -0.320 0.000 1.897 346 A HA -0.234 4.085 4.320 -0.001 0.000 0.215 346 A C 2.187 179.541 177.584 -0.382 0.000 1.181 346 A CA 1.087 52.942 52.037 -0.304 0.000 0.620 346 A CB -0.738 18.113 19.000 -0.248 0.000 0.821 346 A HN 0.400 nan 8.150 nan 0.000 0.443 347 Y N 0.651 120.562 120.300 -0.649 0.000 2.293 347 Y HA -0.111 4.438 4.550 -0.001 0.000 0.291 347 Y C 2.198 177.839 175.900 -0.432 0.000 1.137 347 Y CA 1.899 59.653 58.100 -0.577 0.000 1.202 347 Y CB 0.078 37.950 38.460 -0.980 0.000 0.990 347 Y HN 0.318 nan 8.280 nan 0.000 0.537 348 N N -2.130 116.245 118.700 -0.541 0.000 2.508 348 N HA -0.036 4.703 4.740 -0.001 0.000 0.186 348 N C 0.888 176.013 175.510 -0.641 0.000 1.034 348 N CA 1.041 53.691 53.050 -0.666 0.000 0.885 348 N CB -0.155 37.724 38.487 -1.013 0.000 1.135 348 N HN 0.366 nan 8.380 nan 0.000 0.435 349 Y N 0.481 120.590 120.300 -0.319 0.000 2.442 349 Y HA 0.371 4.920 4.550 -0.001 0.000 0.250 349 Y C 1.658 177.425 175.900 -0.222 0.000 1.113 349 Y CA -0.413 57.536 58.100 -0.251 0.000 1.273 349 Y CB 0.341 38.640 38.460 -0.268 0.000 1.138 349 Y HN -0.099 nan 8.280 nan 0.000 0.522 350 G N 0.006 108.734 108.800 -0.119 0.000 2.588 350 G HA2 0.009 3.968 3.960 -0.001 0.000 0.278 350 G HA3 0.009 3.968 3.960 -0.001 0.000 0.278 350 G C -1.158 173.670 174.900 -0.121 0.000 1.307 350 G CA -0.435 44.588 45.100 -0.129 0.000 1.016 350 G HN 0.114 nan 8.290 nan 0.000 0.503 351 D N 0.369 120.711 120.400 -0.098 0.000 2.382 351 D HA 0.204 4.843 4.640 -0.001 0.000 0.259 351 D C -0.811 175.429 176.300 -0.100 0.000 1.224 351 D CA -1.064 52.889 54.000 -0.079 0.000 0.894 351 D CB 1.446 42.215 40.800 -0.052 0.000 1.127 351 D HN 0.029 nan 8.370 nan 0.000 0.487 352 P HA -0.153 nan 4.420 nan 0.000 0.228 352 P C 0.446 177.699 177.300 -0.079 0.000 1.151 352 P CA 1.122 64.141 63.100 -0.135 0.000 0.770 352 P CB 0.442 32.070 31.700 -0.121 0.000 0.786 353 Q N -1.428 118.346 119.800 -0.043 0.000 2.391 353 Q HA 0.082 4.421 4.340 -0.001 0.000 0.243 353 Q C 1.664 177.673 176.000 0.016 0.000 0.874 353 Q CA 0.975 56.773 55.803 -0.009 0.000 0.950 353 Q CB 0.095 28.828 28.738 -0.007 0.000 1.103 353 Q HN 0.242 nan 8.270 nan 0.000 0.544 354 T N -0.019 114.536 114.554 0.002 0.000 2.976 354 T HA 0.121 4.470 4.350 -0.001 0.000 0.257 354 T C 0.874 175.590 174.700 0.028 0.000 1.051 354 T CA 0.857 62.965 62.100 0.014 0.000 1.141 354 T CB 0.182 69.046 68.868 -0.008 0.000 0.881 354 T HN 0.270 nan 8.240 nan 0.000 0.461 355 G N -0.004 108.799 108.800 0.006 0.000 3.107 355 G HA2 0.582 4.541 3.960 -0.001 0.000 0.232 355 G HA3 0.582 4.541 3.960 -0.001 0.000 0.232 355 G C 0.588 175.534 174.900 0.075 0.000 1.339 355 G CA -0.850 44.254 45.100 0.007 0.000 1.033 355 G HN 0.190 nan 8.290 nan 0.000 0.567 356 I N -0.132 120.486 120.570 0.081 0.000 2.576 356 I HA -0.206 3.963 4.170 -0.001 0.000 0.263 356 I C 2.780 179.087 176.117 0.316 0.000 1.183 356 I CA 1.003 62.464 61.300 0.267 0.000 1.432 356 I CB 0.115 38.286 38.000 0.285 0.000 1.100 356 I HN 0.502 nan 8.210 nan 0.000 0.452 357 R N -0.415 120.069 120.500 -0.027 0.000 2.148 357 R HA -0.166 4.173 4.340 -0.001 0.000 0.227 357 R C 2.356 178.675 176.300 0.032 0.000 1.103 357 R CA 1.583 57.499 56.100 -0.306 0.000 0.983 357 R CB -0.087 29.823 30.300 -0.651 0.000 0.874 357 R HN 0.255 nan 8.270 nan 0.000 0.451 358 S N -0.563 115.210 115.700 0.123 0.000 2.425 358 S HA -0.083 4.386 4.470 -0.001 0.000 0.225 358 S C 1.443 176.178 174.600 0.226 0.000 1.024 358 S CA 0.226 58.517 58.200 0.151 0.000 0.951 358 S CB -0.258 63.027 63.200 0.141 0.000 0.796 358 S HN 0.569 nan 8.310 nan 0.000 0.498 359 W N 1.742 123.130 121.300 0.146 0.000 2.402 359 W HA 0.098 4.757 4.660 -0.001 0.000 0.286 359 W C 1.067 177.721 176.519 0.225 0.000 1.221 359 W CA 1.332 58.787 57.345 0.184 0.000 1.257 359 W CB -0.250 29.345 29.460 0.225 0.000 1.120 359 W HN 0.291 nan 8.180 nan 0.000 0.551 360 T N -0.830 114.028 114.554 0.506 0.000 2.654 360 T HA 0.519 4.868 4.350 -0.001 0.000 0.289 360 T C -1.816 173.198 174.700 0.524 0.000 1.062 360 T CA -0.599 61.789 62.100 0.481 0.000 1.041 360 T CB 1.197 70.490 68.868 0.708 0.000 1.417 360 T HN -0.208 nan 8.240 nan 0.000 0.510 361 L N 1.827 123.238 121.223 0.313 0.000 2.455 361 L HA 0.744 5.083 4.340 -0.001 0.000 0.264 361 L C -1.750 175.028 176.870 -0.152 0.000 0.968 361 L CA -0.823 54.103 54.840 0.143 0.000 0.827 361 L CB 1.868 43.991 42.059 0.107 0.000 1.317 361 L HN 0.555 nan 8.230 nan 0.000 0.407 362 L N 5.073 126.060 121.223 -0.393 0.000 2.295 362 L HA 0.500 4.839 4.340 -0.001 0.000 0.288 362 L C -0.729 176.109 176.870 -0.053 0.000 1.079 362 L CA 0.116 54.806 54.840 -0.250 0.000 0.830 362 L CB -0.357 41.550 42.059 -0.253 0.000 1.200 362 L HN 0.791 nan 8.230 nan 0.000 0.438 363 C N 1.367 120.635 119.300 -0.053 0.000 2.595 363 C HA 0.765 5.225 4.460 -0.001 0.000 0.338 363 C C 0.755 175.727 174.990 -0.031 0.000 1.219 363 C CA -0.885 58.113 59.018 -0.034 0.000 1.811 363 C CB 1.266 28.974 27.740 -0.054 0.000 2.313 363 C HN 0.825 nan 8.230 nan 0.000 0.499 364 T N 0.250 114.787 114.554 -0.029 0.000 2.930 364 T HA 0.316 4.665 4.350 -0.001 0.000 0.306 364 T C -2.276 172.385 174.700 -0.064 0.000 1.045 364 T CA -0.669 61.407 62.100 -0.041 0.000 1.134 364 T CB -0.056 68.780 68.868 -0.053 0.000 0.961 364 T HN 0.680 nan 8.240 nan 0.000 0.545 365 P HA 0.103 nan 4.420 nan 0.000 0.261 365 P C -0.785 176.461 177.300 -0.090 0.000 1.183 365 P CA 0.165 63.211 63.100 -0.089 0.000 0.761 365 P CB 0.275 31.929 31.700 -0.078 0.000 0.785 366 D N 2.634 122.977 120.400 -0.096 0.000 2.412 366 D HA 0.075 4.714 4.640 -0.001 0.000 0.224 366 D C 1.006 177.254 176.300 -0.087 0.000 1.093 366 D CA -0.518 53.432 54.000 -0.084 0.000 0.850 366 D CB 0.837 41.591 40.800 -0.076 0.000 1.046 366 D HN -0.062 nan 8.370 nan 0.000 0.507 367 V N 3.383 123.250 119.914 -0.078 0.000 3.026 367 V HA -0.149 3.971 4.120 -0.001 0.000 0.265 367 V C 1.519 177.580 176.094 -0.055 0.000 1.121 367 V CA 2.226 64.486 62.300 -0.067 0.000 1.142 367 V CB -0.381 31.408 31.823 -0.057 0.000 0.730 367 V HN 0.751 nan 8.190 nan 0.000 0.503 368 T N -2.665 111.853 114.554 -0.060 0.000 3.031 368 T HA -0.031 4.319 4.350 -0.001 0.000 0.254 368 T C 1.281 175.937 174.700 -0.073 0.000 1.060 368 T CA 0.822 62.886 62.100 -0.061 0.000 1.135 368 T CB -0.187 68.651 68.868 -0.050 0.000 0.896 368 T HN 0.592 nan 8.240 nan 0.000 0.472 369 C N 0.074 119.329 119.300 -0.075 0.000 5.277 369 C HA -0.034 4.425 4.460 -0.001 0.000 0.225 369 C C 1.905 176.851 174.990 -0.074 0.000 1.237 369 C CA 0.146 59.117 59.018 -0.078 0.000 1.297 369 C CB -1.950 25.747 27.740 -0.072 0.000 1.947 369 C HN 0.816 nan 8.230 nan 0.000 0.642 370 G N -0.692 108.064 108.800 -0.073 0.000 4.130 370 G HA2 0.443 4.402 3.960 -0.001 0.000 0.162 370 G HA3 0.443 4.402 3.960 -0.001 0.000 0.162 370 G C 0.356 175.218 174.900 -0.064 0.000 1.099 370 G CA 0.890 45.946 45.100 -0.074 0.000 0.889 370 G HN 2.014 nan 8.290 nan 0.000 0.547 371 S N 1.111 116.775 115.700 -0.060 0.000 3.292 371 S HA -0.201 4.268 4.470 -0.001 0.000 0.360 371 S C -0.072 174.499 174.600 -0.049 0.000 0.930 371 S CA 1.446 59.618 58.200 -0.047 0.000 1.317 371 S CB -1.930 61.253 63.200 -0.027 0.000 0.920 371 S HN 0.726 nan 8.310 nan 0.000 0.540 372 E N 2.008 122.165 120.200 -0.073 0.000 2.349 372 E HA 0.265 4.614 4.350 -0.001 0.000 0.265 372 E C 0.793 177.345 176.600 -0.080 0.000 1.064 372 E CA -0.836 55.513 56.400 -0.085 0.000 0.886 372 E CB 0.449 30.073 29.700 -0.127 0.000 1.036 372 E HN 0.780 nan 8.360 nan 0.000 0.413 373 Q N 0.973 120.722 119.800 -0.086 0.000 2.260 373 Q HA 0.337 4.676 4.340 -0.001 0.000 0.242 373 Q C -0.270 175.608 176.000 -0.203 0.000 0.932 373 Q CA -0.640 55.123 55.803 -0.066 0.000 0.891 373 Q CB 1.265 30.030 28.738 0.044 0.000 1.222 373 Q HN 0.344 nan 8.270 nan 0.000 0.453 374 V N -0.253 119.597 119.914 -0.106 0.000 2.975 374 V HA 0.661 4.780 4.120 -0.001 0.000 0.318 374 V C -1.107 175.024 176.094 0.062 0.000 1.077 374 V CA -1.017 61.186 62.300 -0.161 0.000 1.000 374 V CB 1.085 32.841 31.823 -0.113 0.000 1.066 374 V HN 0.721 nan 8.190 nan 0.000 0.452 375 Y N -0.819 119.461 120.300 -0.034 0.000 2.406 375 Y HA 0.628 5.178 4.550 -0.001 0.000 0.340 375 Y C -0.749 175.132 175.900 -0.032 0.000 0.975 375 Y CA -1.455 56.667 58.100 0.036 0.000 1.056 375 Y CB 1.286 39.769 38.460 0.039 0.000 1.210 375 Y HN 0.733 nan 8.280 nan 0.000 0.448 376 W N 2.000 123.419 121.300 0.198 0.000 2.316 376 W HA 0.609 5.268 4.660 -0.001 0.000 0.321 376 W C -0.413 176.111 176.519 0.008 0.000 1.203 376 W CA -0.265 57.125 57.345 0.075 0.000 1.214 376 W CB 1.518 30.981 29.460 0.006 0.000 1.169 376 W HN 0.457 nan 8.180 nan 0.000 0.561 377 S N 2.837 118.657 115.700 0.199 0.000 2.672 377 S HA 0.568 5.037 4.470 -0.001 0.000 0.291 377 S C -0.793 173.778 174.600 -0.048 0.000 1.145 377 S CA -0.881 57.327 58.200 0.012 0.000 1.013 377 S CB 0.925 64.109 63.200 -0.026 0.000 1.017 377 S HN 0.536 nan 8.310 nan 0.000 0.487 378 L N 3.019 124.180 121.223 -0.102 0.000 3.209 378 L HA 0.319 4.658 4.340 -0.001 0.000 0.279 378 L C -1.671 175.093 176.870 -0.177 0.000 1.301 378 L CA -1.561 53.210 54.840 -0.114 0.000 1.004 378 L CB 1.197 43.216 42.059 -0.066 0.000 1.402 378 L HN 0.497 nan 8.230 nan 0.000 0.577 379 P HA -0.067 nan 4.420 nan 0.000 0.239 379 P C 0.060 177.226 177.300 -0.223 0.000 1.184 379 P CA 0.786 63.681 63.100 -0.341 0.000 0.760 379 P CB 0.126 31.383 31.700 -0.739 0.000 0.884 380 D N -1.930 118.373 120.400 -0.162 0.000 2.340 380 D HA 0.183 4.822 4.640 -0.001 0.000 0.217 380 D C 1.589 177.849 176.300 -0.068 0.000 1.081 380 D CA 0.327 54.274 54.000 -0.090 0.000 0.842 380 D CB 0.214 40.979 40.800 -0.057 0.000 0.934 380 D HN 0.169 nan 8.370 nan 0.000 0.511 381 M N -0.845 118.710 119.600 -0.076 0.000 3.103 381 M HA 0.276 4.755 4.480 -0.001 0.000 0.208 381 M C -0.583 175.692 176.300 -0.042 0.000 1.849 381 M CA -0.038 55.226 55.300 -0.059 0.000 1.378 381 M CB 0.556 33.115 32.600 -0.068 0.000 1.142 381 M HN -0.163 nan 8.290 nan 0.000 0.600 382 M N 2.280 121.853 119.600 -0.046 0.000 2.245 382 M HA 0.045 4.524 4.480 -0.001 0.000 0.344 382 M C -0.435 175.863 176.300 -0.003 0.000 1.170 382 M CA 0.729 56.018 55.300 -0.018 0.000 1.135 382 M CB 0.562 33.152 32.600 -0.016 0.000 1.574 382 M HN 0.193 nan 8.290 nan 0.000 0.452 383 Q N 2.666 122.482 119.800 0.027 0.000 2.276 383 Q HA 0.067 4.406 4.340 -0.001 0.000 0.267 383 Q C -0.579 175.450 176.000 0.050 0.000 1.135 383 Q CA -0.385 55.442 55.803 0.040 0.000 0.910 383 Q CB -0.416 28.357 28.738 0.059 0.000 1.271 383 Q HN 0.601 nan 8.270 nan 0.000 0.417 384 D N 3.429 123.860 120.400 0.051 0.000 2.661 384 D HA -0.023 4.616 4.640 -0.001 0.000 0.244 384 D C -2.237 174.146 176.300 0.139 0.000 1.196 384 D CA -0.788 53.279 54.000 0.113 0.000 0.881 384 D CB 0.034 40.898 40.800 0.108 0.000 1.141 384 D HN 0.159 nan 8.370 nan 0.000 0.530 385 P HA -0.019 nan 4.420 nan 0.000 0.272 385 P C -0.231 177.001 177.300 -0.113 0.000 1.243 385 P CA -0.580 62.550 63.100 0.049 0.000 0.803 385 P CB 0.289 32.045 31.700 0.094 0.000 0.974 386 V N -1.749 118.055 119.914 -0.184 0.000 2.694 386 V HA 0.096 4.216 4.120 -0.001 0.000 0.306 386 V C 1.142 177.023 176.094 -0.356 0.000 1.054 386 V CA 0.707 62.884 62.300 -0.205 0.000 1.161 386 V CB -0.824 30.894 31.823 -0.175 0.000 0.916 386 V HN 1.013 nan 8.190 nan 0.000 0.490 387 T N 0.641 115.062 114.554 -0.222 0.000 10.376 387 T HA -0.284 4.065 4.350 -0.001 0.000 0.366 387 T C -0.061 174.565 174.700 -0.123 0.000 1.790 387 T CA 1.190 63.168 62.100 -0.202 0.000 2.837 387 T CB -2.596 66.118 68.868 -0.256 0.000 2.485 387 T HN 0.827 nan 8.240 nan 0.000 0.947 388 F N 3.706 123.657 119.950 0.001 0.000 2.506 388 F HA 0.446 4.972 4.527 -0.001 0.000 0.371 388 F C 1.450 177.260 175.800 0.016 0.000 1.078 388 F CA -1.384 56.621 58.000 0.008 0.000 1.195 388 F CB 0.561 39.561 39.000 -0.000 0.000 1.099 388 F HN 0.038 nan 8.300 nan 0.000 0.548 389 R N 1.898 122.550 120.500 0.252 0.000 2.570 389 R HA -0.007 4.333 4.340 -0.001 0.000 0.277 389 R C 0.073 176.454 176.300 0.135 0.000 1.039 389 R CA -0.112 56.078 56.100 0.150 0.000 1.065 389 R CB 0.870 31.242 30.300 0.120 0.000 0.964 389 R HN 0.461 nan 8.270 nan 0.000 0.428 390 S N 1.612 117.371 115.700 0.099 0.000 2.411 390 S HA 0.147 4.616 4.470 -0.001 0.000 0.304 390 S C -0.064 174.593 174.600 0.095 0.000 1.098 390 S CA -0.168 58.080 58.200 0.080 0.000 1.068 390 S CB 0.299 63.534 63.200 0.058 0.000 1.032 390 S HN 0.573 nan 8.310 nan 0.000 0.511 391 T N 2.089 116.727 114.554 0.139 0.000 2.858 391 T HA 0.606 4.956 4.350 -0.001 0.000 0.285 391 T C 0.309 175.177 174.700 0.280 0.000 1.052 391 T CA -0.394 61.810 62.100 0.173 0.000 1.009 391 T CB 1.366 70.330 68.868 0.161 0.000 1.241 391 T HN 0.517 nan 8.240 nan 0.000 0.542 392 S N 0.279 116.092 115.700 0.189 0.000 2.900 392 S HA 0.324 4.794 4.470 -0.001 0.000 0.253 392 S C 0.139 174.684 174.600 -0.092 0.000 1.029 392 S CA -0.486 57.806 58.200 0.154 0.000 1.096 392 S CB 0.139 63.396 63.200 0.095 0.000 1.067 392 S HN 0.633 nan 8.310 nan 0.000 0.610 393 Q N 1.416 121.146 119.800 -0.116 0.000 2.349 393 Q HA 0.349 4.688 4.340 -0.001 0.000 0.254 393 Q C 0.389 176.090 176.000 -0.499 0.000 0.980 393 Q CA -0.287 55.387 55.803 -0.215 0.000 0.924 393 Q CB 0.573 29.260 28.738 -0.086 0.000 1.209 393 Q HN 0.469 nan 8.270 nan 0.000 0.445 394 I N 0.956 121.142 120.570 -0.640 0.000 2.953 394 I HA -0.229 3.940 4.170 -0.001 0.000 0.271 394 I C 1.334 177.204 176.117 -0.412 0.000 1.286 394 I CA 1.024 61.833 61.300 -0.819 0.000 1.449 394 I CB -0.162 37.555 38.000 -0.471 0.000 1.086 394 I HN 0.303 nan 8.210 nan 0.000 0.483 395 S N -0.501 115.048 115.700 -0.251 0.000 2.539 395 S HA 0.153 4.622 4.470 -0.001 0.000 0.221 395 S C 1.271 175.860 174.600 -0.019 0.000 0.987 395 S CA -0.147 57.992 58.200 -0.100 0.000 0.929 395 S CB -0.119 63.031 63.200 -0.084 0.000 0.832 395 S HN 0.546 nan 8.310 nan 0.000 0.492 396 N N 0.465 119.166 118.700 0.002 0.000 2.232 396 N HA 0.182 4.921 4.740 -0.001 0.000 0.240 396 N C -1.183 174.429 175.510 0.169 0.000 1.307 396 N CA -0.083 53.011 53.050 0.073 0.000 0.859 396 N CB 0.358 38.882 38.487 0.062 0.000 1.260 396 N HN 0.089 nan 8.380 nan 0.000 0.501 397 F N 3.436 123.341 119.950 -0.074 0.000 2.590 397 F HA 0.169 4.695 4.527 -0.001 0.000 0.389 397 F C -1.415 174.257 175.800 -0.214 0.000 1.049 397 F CA -1.828 56.113 58.000 -0.099 0.000 1.199 397 F CB -0.348 38.612 39.000 -0.067 0.000 1.058 397 F HN 0.034 nan 8.300 nan 0.000 0.556 398 P HA -0.088 nan 4.420 nan 0.000 0.263 398 P C -0.522 176.493 177.300 -0.474 0.000 1.162 398 P CA 0.276 63.078 63.100 -0.497 0.000 0.758 398 P CB 0.299 31.901 31.700 -0.164 0.000 0.773 399 V N 3.745 123.202 119.914 -0.761 0.000 2.394 399 V HA 0.134 4.253 4.120 -0.001 0.000 0.282 399 V C 1.596 177.685 176.094 -0.009 0.000 1.031 399 V CA -0.244 61.867 62.300 -0.316 0.000 0.881 399 V CB 1.375 32.953 31.823 -0.409 0.000 0.982 399 V HN 0.525 nan 8.190 nan 0.000 0.451 400 V N 1.242 121.193 119.914 0.063 0.000 3.565 400 V HA 0.733 4.852 4.120 -0.001 0.000 0.260 400 V C 0.695 176.890 176.094 0.168 0.000 1.231 400 V CA 0.960 63.322 62.300 0.104 0.000 1.100 400 V CB 0.174 32.029 31.823 0.054 0.000 0.807 400 V HN 1.061 nan 8.190 nan 0.000 0.454 401 G N -0.845 108.111 108.800 0.260 0.000 2.616 401 G HA2 0.713 4.672 3.960 -0.001 0.000 0.294 401 G HA3 0.713 4.672 3.960 -0.001 0.000 0.294 401 G C -1.476 173.730 174.900 0.510 0.000 1.489 401 G CA -0.148 45.210 45.100 0.430 0.000 0.836 401 G HN 1.072 nan 8.290 nan 0.000 0.527 402 A N 0.748 123.792 122.820 0.374 0.000 2.385 402 A HA 0.819 5.138 4.320 -0.001 0.000 0.290 402 A C -0.417 177.328 177.584 0.268 0.000 1.094 402 A CA -0.434 51.841 52.037 0.396 0.000 0.729 402 A CB 1.604 20.809 19.000 0.341 0.000 1.194 402 A HN 0.705 nan 8.150 nan 0.000 0.442 403 E N 1.303 121.716 120.200 0.354 0.000 2.254 403 E HA 0.600 4.949 4.350 -0.001 0.000 0.261 403 E C -0.942 175.749 176.600 0.152 0.000 1.051 403 E CA -0.739 55.805 56.400 0.239 0.000 0.902 403 E CB 1.233 31.166 29.700 0.389 0.000 1.168 403 E HN 0.626 nan 8.360 nan 0.000 0.423 404 L N 3.099 124.381 121.223 0.098 0.000 2.305 404 L HA 0.263 4.602 4.340 -0.001 0.000 0.281 404 L C -0.707 176.193 176.870 0.050 0.000 1.085 404 L CA -0.305 54.568 54.840 0.055 0.000 0.813 404 L CB 0.975 43.052 42.059 0.031 0.000 1.157 404 L HN 0.544 nan 8.230 nan 0.000 0.436 405 L N 8.206 129.438 121.223 0.014 0.000 2.660 405 L HA 0.227 4.566 4.340 -0.001 0.000 0.272 405 L C -1.970 174.902 176.870 0.003 0.000 1.194 405 L CA -0.491 54.350 54.840 0.002 0.000 0.945 405 L CB -0.038 42.000 42.059 -0.035 0.000 1.212 405 L HN 0.521 nan 8.230 nan 0.000 0.490 406 P HA 0.155 nan 4.420 nan 0.000 0.244 406 P C -1.404 175.891 177.300 -0.008 0.000 1.769 406 P CA -0.010 63.100 63.100 0.017 0.000 1.102 406 P CB -0.005 31.723 31.700 0.045 0.000 1.937 407 V N 1.183 121.099 119.914 0.004 0.000 2.711 407 V HA 0.600 4.719 4.120 -0.001 0.000 0.304 407 V C -0.501 175.650 176.094 0.094 0.000 1.097 407 V CA -0.771 61.545 62.300 0.026 0.000 0.906 407 V CB 1.944 33.740 31.823 -0.045 0.000 1.015 407 V HN 0.585 nan 8.190 nan 0.000 0.427 408 H N 1.941 120.982 119.070 -0.048 0.000 2.864 408 H HA 0.747 5.303 4.556 -0.001 0.000 0.354 408 H C -0.582 174.712 175.328 -0.057 0.000 1.208 408 H CA -0.379 55.638 56.048 -0.051 0.000 1.191 408 H CB 1.979 31.713 29.762 -0.047 0.000 1.889 408 H HN 0.705 nan 8.280 nan 0.000 0.574 409 S N 1.160 116.805 115.700 -0.092 0.000 2.465 409 S HA 0.304 4.773 4.470 -0.001 0.000 0.279 409 S C 0.033 174.343 174.600 -0.483 0.000 1.201 409 S CA -0.913 57.138 58.200 -0.248 0.000 1.053 409 S CB 0.985 64.106 63.200 -0.132 0.000 0.953 409 S HN 0.529 nan 8.310 nan 0.000 0.488 410 K N 2.809 122.863 120.400 -0.577 0.000 2.316 410 K HA 0.363 4.683 4.320 -0.001 0.000 0.267 410 K C -0.318 175.817 176.600 -0.774 0.000 1.025 410 K CA -0.281 55.611 56.287 -0.658 0.000 0.896 410 K CB 0.767 32.864 32.500 -0.672 0.000 1.124 410 K HN 0.734 nan 8.250 nan 0.000 0.451 411 S N 3.074 118.404 115.700 -0.616 0.000 2.585 411 S HA 0.650 5.119 4.470 -0.001 0.000 0.277 411 S C -0.361 173.897 174.600 -0.571 0.000 1.241 411 S CA -0.673 57.246 58.200 -0.469 0.000 1.041 411 S CB 0.443 63.504 63.200 -0.232 0.000 0.987 411 S HN 0.356 nan 8.310 nan 0.000 0.512 412 F N -0.260 119.676 119.950 -0.023 0.000 2.664 412 F HA 0.573 5.099 4.527 -0.001 0.000 0.329 412 F C -0.592 175.273 175.800 0.109 0.000 1.090 412 F CA -1.303 56.709 58.000 0.021 0.000 0.978 412 F CB 1.048 40.053 39.000 0.009 0.000 1.378 412 F HN 0.600 nan 8.300 nan 0.000 0.495 413 Y N 1.406 121.818 120.300 0.186 0.000 2.446 413 Y HA 0.582 5.131 4.550 -0.001 0.000 0.338 413 Y C -0.959 174.975 175.900 0.056 0.000 1.055 413 Y CA -1.380 56.771 58.100 0.085 0.000 1.101 413 Y CB 1.640 40.132 38.460 0.053 0.000 1.221 413 Y HN 0.601 nan 8.280 nan 0.000 0.460 414 N N 3.333 121.969 118.700 -0.106 0.000 2.697 414 N HA 0.131 4.870 4.740 -0.001 0.000 0.271 414 N C -0.982 174.307 175.510 -0.367 0.000 1.149 414 N CA -0.266 52.667 53.050 -0.194 0.000 0.939 414 N CB 0.989 39.427 38.487 -0.082 0.000 1.534 414 N HN 0.683 nan 8.380 nan 0.000 0.556 415 D N 1.523 121.697 120.400 -0.376 0.000 2.349 415 D HA 0.044 4.683 4.640 -0.001 0.000 0.215 415 D C 0.423 176.648 176.300 -0.125 0.000 1.016 415 D CA 0.602 54.420 54.000 -0.305 0.000 0.870 415 D CB 0.520 41.157 40.800 -0.271 0.000 0.917 415 D HN 0.636 nan 8.370 nan 0.000 0.524 416 Q N -0.244 119.541 119.800 -0.025 0.000 2.491 416 Q HA 0.093 4.432 4.340 -0.001 0.000 0.214 416 Q C 1.627 177.641 176.000 0.023 0.000 0.970 416 Q CA 0.103 55.975 55.803 0.116 0.000 0.960 416 Q CB 0.274 29.089 28.738 0.129 0.000 0.996 416 Q HN 0.158 nan 8.270 nan 0.000 0.524 417 A N 0.204 122.986 122.820 -0.063 0.000 2.014 417 A HA -0.082 4.237 4.320 -0.001 0.000 0.218 417 A C 2.164 179.690 177.584 -0.097 0.000 1.163 417 A CA 0.775 52.773 52.037 -0.064 0.000 0.652 417 A CB -0.154 18.802 19.000 -0.073 0.000 0.808 417 A HN 0.240 nan 8.150 nan 0.000 0.449 418 V N -1.493 118.299 119.914 -0.203 0.000 2.307 418 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 418 V C 1.666 177.545 176.094 -0.358 0.000 1.045 418 V CA 1.446 63.541 62.300 -0.341 0.000 1.024 418 V CB -1.020 30.479 31.823 -0.541 0.000 0.651 418 V HN 0.715 nan 8.190 nan 0.000 0.449 419 Y N 0.550 120.838 120.300 -0.019 0.000 2.596 419 Y HA 0.137 4.686 4.550 -0.001 0.000 0.316 419 Y C 2.301 178.197 175.900 -0.007 0.000 1.156 419 Y CA 0.302 58.395 58.100 -0.012 0.000 1.300 419 Y CB -0.578 37.863 38.460 -0.031 0.000 1.130 419 Y HN 0.287 nan 8.280 nan 0.000 0.518 420 S N -0.646 115.096 115.700 0.070 0.000 2.399 420 S HA -0.249 4.220 4.470 -0.001 0.000 0.231 420 S C 1.701 176.352 174.600 0.085 0.000 1.022 420 S CA 1.097 59.332 58.200 0.059 0.000 0.983 420 S CB -0.144 63.069 63.200 0.023 0.000 0.803 420 S HN 0.596 nan 8.310 nan 0.000 0.480 421 Q N 0.659 120.512 119.800 0.088 0.000 2.050 421 Q HA 0.058 4.398 4.340 -0.001 0.000 0.202 421 Q C 1.908 177.995 176.000 0.145 0.000 0.980 421 Q CA 1.377 57.247 55.803 0.112 0.000 0.840 421 Q CB -0.401 28.395 28.738 0.097 0.000 0.898 421 Q HN 0.539 nan 8.270 nan 0.000 0.424 422 L N 0.662 121.988 121.223 0.170 0.000 2.650 422 L HA -0.017 4.322 4.340 -0.001 0.000 0.235 422 L C 1.724 178.664 176.870 0.118 0.000 1.149 422 L CA -0.085 54.855 54.840 0.167 0.000 0.887 422 L CB -0.000 42.152 42.059 0.156 0.000 1.021 422 L HN 0.237 nan 8.230 nan 0.000 0.441 423 I N -0.843 119.794 120.570 0.112 0.000 2.188 423 I HA -0.199 3.970 4.170 -0.001 0.000 0.237 423 I C 2.479 178.662 176.117 0.111 0.000 1.073 423 I CA 0.870 62.224 61.300 0.089 0.000 1.359 423 I CB -0.198 37.846 38.000 0.073 0.000 1.083 423 I HN 0.234 nan 8.210 nan 0.000 0.412 424 R N 0.576 121.145 120.500 0.114 0.000 2.096 424 R HA -0.192 4.147 4.340 -0.001 0.000 0.235 424 R C 2.148 178.475 176.300 0.044 0.000 1.127 424 R CA 1.267 57.417 56.100 0.083 0.000 0.968 424 R CB -0.620 29.742 30.300 0.104 0.000 0.861 424 R HN 0.531 nan 8.270 nan 0.000 0.440 425 Q N -0.803 119.065 119.800 0.113 0.000 2.170 425 Q HA -0.101 4.239 4.340 -0.001 0.000 0.203 425 Q C 0.895 176.973 176.000 0.130 0.000 0.976 425 Q CA 1.386 57.257 55.803 0.113 0.000 0.858 425 Q CB 0.129 28.999 28.738 0.220 0.000 0.907 425 Q HN 0.251 nan 8.270 nan 0.000 0.433 426 F N -2.144 117.793 119.950 -0.020 0.000 2.682 426 F HA 0.133 4.659 4.527 -0.001 0.000 0.308 426 F C 1.933 177.717 175.800 -0.027 0.000 1.093 426 F CA 0.064 58.049 58.000 -0.024 0.000 1.244 426 F CB 0.483 39.471 39.000 -0.019 0.000 1.052 426 F HN -0.087 nan 8.300 nan 0.000 0.573 427 T N -1.292 113.344 114.554 0.136 0.000 2.614 427 T HA -0.155 4.194 4.350 -0.001 0.000 0.263 427 T C 1.797 176.513 174.700 0.026 0.000 1.055 427 T CA 2.115 64.256 62.100 0.069 0.000 1.162 427 T CB -0.226 68.678 68.868 0.060 0.000 0.863 427 T HN 0.171 nan 8.240 nan 0.000 0.414 428 S N -1.782 113.905 115.700 -0.022 0.000 2.506 428 S HA 0.236 4.706 4.470 -0.001 0.000 0.255 428 S C 0.435 174.958 174.600 -0.128 0.000 0.976 428 S CA -0.101 58.061 58.200 -0.062 0.000 1.493 428 S CB -0.226 62.939 63.200 -0.059 0.000 1.241 428 S HN 0.385 nan 8.310 nan 0.000 0.655 429 L N 1.985 123.098 121.223 -0.184 0.000 3.976 429 L HA -0.249 4.090 4.340 -0.001 0.000 0.418 429 L C 1.081 177.640 176.870 -0.518 0.000 1.177 429 L CA 1.577 56.201 54.840 -0.360 0.000 0.968 429 L CB -1.587 40.322 42.059 -0.250 0.000 1.933 429 L HN 0.604 nan 8.230 nan 0.000 0.976 430 T N -4.590 109.751 114.554 -0.355 0.000 2.937 430 T HA 0.007 4.357 4.350 -0.001 0.000 0.260 430 T C 0.971 175.606 174.700 -0.108 0.000 1.051 430 T CA 0.669 62.641 62.100 -0.213 0.000 1.141 430 T CB -0.274 68.494 68.868 -0.167 0.000 0.879 430 T HN 0.616 nan 8.240 nan 0.000 0.459 431 H N 0.068 119.097 119.070 -0.068 0.000 2.741 431 H HA -0.116 4.440 4.556 -0.001 0.000 0.305 431 H C 1.113 176.359 175.328 -0.136 0.000 1.169 431 H CA 0.427 56.439 56.048 -0.060 0.000 1.144 431 H CB -2.326 27.416 29.762 -0.033 0.000 1.397 431 H HN 0.324 nan 8.280 nan 0.000 0.409 432 V N -0.608 119.203 119.914 -0.172 0.000 2.453 432 V HA -0.179 3.940 4.120 -0.001 0.000 0.247 432 V C 1.782 177.671 176.094 -0.342 0.000 1.048 432 V CA 2.040 64.131 62.300 -0.347 0.000 1.049 432 V CB -0.410 31.090 31.823 -0.538 0.000 0.672 432 V HN 0.313 nan 8.190 nan 0.000 0.457 433 F N 0.850 120.796 119.950 -0.006 0.000 2.873 433 F HA 0.353 4.879 4.527 -0.001 0.000 0.289 433 F C 0.801 176.591 175.800 -0.016 0.000 1.206 433 F CA -0.019 57.973 58.000 -0.014 0.000 1.401 433 F CB -0.203 38.800 39.000 0.006 0.000 0.996 433 F HN 0.195 nan 8.300 nan 0.000 0.511 434 N N 0.318 119.048 118.700 0.049 0.000 2.971 434 N HA 0.024 4.763 4.740 -0.001 0.000 0.193 434 N C 0.721 176.169 175.510 -0.104 0.000 1.259 434 N CA -0.024 53.041 53.050 0.024 0.000 1.656 434 N CB 0.096 38.656 38.487 0.122 0.000 1.566 434 N HN -0.097 nan 8.380 nan 0.000 0.631 435 R N -0.220 120.064 120.500 -0.360 0.000 2.235 435 R HA 0.160 4.499 4.340 -0.001 0.000 0.213 435 R C -0.253 175.892 176.300 -0.259 0.000 1.059 435 R CA 0.905 56.711 56.100 -0.490 0.000 0.997 435 R CB -0.070 29.689 30.300 -0.900 0.000 0.884 435 R HN 0.360 nan 8.270 nan 0.000 0.462 436 F N -0.029 119.921 119.950 0.000 0.000 2.597 436 F HA 0.320 4.846 4.527 -0.001 0.000 0.336 436 F C -1.635 174.169 175.800 0.007 0.000 1.432 436 F CA -2.005 55.997 58.000 0.003 0.000 1.120 436 F CB 1.131 40.141 39.000 0.016 0.000 1.253 436 F HN -0.162 nan 8.300 nan 0.000 0.546 437 P HA -0.197 nan 4.420 nan 0.000 0.220 437 P C 1.317 178.663 177.300 0.077 0.000 1.148 437 P CA 1.499 64.639 63.100 0.067 0.000 0.803 437 P CB 0.255 31.939 31.700 -0.027 0.000 0.782 438 E N -0.565 119.684 120.200 0.081 0.000 2.076 438 E HA -0.091 4.258 4.350 -0.001 0.000 0.190 438 E C 0.863 177.532 176.600 0.114 0.000 0.979 438 E CA 0.478 56.924 56.400 0.076 0.000 0.807 438 E CB -1.381 28.352 29.700 0.056 0.000 0.761 438 E HN 0.143 nan 8.360 nan 0.000 0.454 439 N N 1.846 120.636 118.700 0.149 0.000 2.475 439 N HA -0.053 4.686 4.740 -0.001 0.000 0.267 439 N C 0.298 175.902 175.510 0.157 0.000 1.169 439 N CA 0.088 53.258 53.050 0.200 0.000 0.947 439 N CB 0.960 39.533 38.487 0.143 0.000 1.061 439 N HN 0.055 nan 8.380 nan 0.000 0.466 440 Q N 3.207 123.115 119.800 0.180 0.000 2.373 440 Q HA 0.125 4.464 4.340 -0.001 0.000 0.206 440 Q C 0.677 176.717 176.000 0.066 0.000 0.942 440 Q CA 0.191 56.059 55.803 0.108 0.000 0.953 440 Q CB 0.246 29.042 28.738 0.096 0.000 1.022 440 Q HN 0.687 nan 8.270 nan 0.000 0.502 441 I N -1.636 118.928 120.570 -0.010 0.000 3.534 441 I HA -0.083 4.086 4.170 -0.001 0.000 0.251 441 I C 1.113 177.201 176.117 -0.047 0.000 1.136 441 I CA 0.114 61.377 61.300 -0.061 0.000 1.475 441 I CB 0.167 38.053 38.000 -0.191 0.000 1.526 441 I HN 0.008 nan 8.210 nan 0.000 0.454 442 L N 1.563 122.752 121.223 -0.057 0.000 2.610 442 L HA 0.191 4.530 4.340 -0.001 0.000 0.232 442 L C 1.337 178.375 176.870 0.280 0.000 1.149 442 L CA 0.294 55.154 54.840 0.033 0.000 0.872 442 L CB -2.211 39.698 42.059 -0.251 0.000 0.992 442 L HN 0.156 nan 8.230 nan 0.000 0.447 443 A N 1.207 124.134 122.820 0.178 0.000 2.504 443 A HA 0.066 4.385 4.320 -0.001 0.000 0.242 443 A C 0.792 178.469 177.584 0.155 0.000 1.100 443 A CA -0.289 51.853 52.037 0.175 0.000 0.786 443 A CB -0.072 18.992 19.000 0.107 0.000 1.050 443 A HN 0.556 nan 8.150 nan 0.000 0.512 444 R N 0.319 120.896 120.500 0.128 0.000 2.473 444 R HA 0.253 4.592 4.340 -0.001 0.000 0.315 444 R C -2.747 173.605 176.300 0.087 0.000 0.972 444 R CA -0.773 55.394 56.100 0.111 0.000 1.047 444 R CB -0.841 29.526 30.300 0.111 0.000 0.932 444 R HN 0.306 nan 8.270 nan 0.000 0.411 445 P HA 0.114 nan 4.420 nan 0.000 0.271 445 P C -2.256 175.071 177.300 0.045 0.000 1.218 445 P CA -1.175 61.965 63.100 0.067 0.000 0.780 445 P CB 0.324 32.064 31.700 0.068 0.000 0.901 446 P HA 0.180 nan 4.420 nan 0.000 0.272 446 P C -0.950 176.358 177.300 0.014 0.000 1.240 446 P CA -0.202 62.912 63.100 0.023 0.000 0.791 446 P CB 0.518 32.233 31.700 0.024 0.000 0.978 447 A N 1.902 124.724 122.820 0.003 0.000 2.295 447 A HA 0.670 4.990 4.320 -0.001 0.000 0.318 447 A C -2.201 175.393 177.584 0.016 0.000 1.134 447 A CA -1.676 50.361 52.037 -0.001 0.000 0.827 447 A CB -0.330 18.662 19.000 -0.013 0.000 1.136 447 A HN 0.429 nan 8.150 nan 0.000 0.493 448 P HA 0.206 nan 4.420 nan 0.000 0.278 448 P C 0.631 177.992 177.300 0.101 0.000 1.258 448 P CA -0.107 63.074 63.100 0.135 0.000 0.811 448 P CB 0.738 32.578 31.700 0.234 0.000 1.063 449 T N -1.193 113.453 114.554 0.153 0.000 2.867 449 T HA -0.022 4.327 4.350 -0.001 0.000 0.268 449 T C 1.020 175.821 174.700 0.167 0.000 1.057 449 T CA 0.977 63.114 62.100 0.062 0.000 1.136 449 T CB -0.760 68.196 68.868 0.147 0.000 0.874 449 T HN 0.413 nan 8.240 nan 0.000 0.466 450 I N 1.333 122.008 120.570 0.177 0.000 2.390 450 I HA 0.467 4.636 4.170 -0.001 0.000 0.283 450 I C -0.692 175.467 176.117 0.069 0.000 1.016 450 I CA -1.097 60.288 61.300 0.141 0.000 1.151 450 I CB 1.198 39.222 38.000 0.041 0.000 1.293 450 I HN -0.228 nan 8.210 nan 0.000 0.458 451 T N 3.878 118.506 114.554 0.124 0.000 2.799 451 T HA 0.604 4.953 4.350 -0.001 0.000 0.286 451 T C 0.414 175.190 174.700 0.128 0.000 0.973 451 T CA -0.621 61.539 62.100 0.101 0.000 1.035 451 T CB 1.025 69.955 68.868 0.103 0.000 0.932 451 T HN 0.744 nan 8.240 nan 0.000 0.469 452 T N -0.084 114.484 114.554 0.023 0.000 2.859 452 T HA 0.703 5.052 4.350 -0.001 0.000 0.281 452 T C -0.426 174.267 174.700 -0.012 0.000 1.005 452 T CA -0.781 61.293 62.100 -0.043 0.000 1.025 452 T CB 1.214 70.026 68.868 -0.094 0.000 0.977 452 T HN 0.340 nan 8.240 nan 0.000 0.458 453 V N 2.958 122.859 119.914 -0.021 0.000 2.531 453 V HA 0.489 4.609 4.120 -0.001 0.000 0.301 453 V C 0.435 176.541 176.094 0.019 0.000 1.034 453 V CA -0.999 61.309 62.300 0.014 0.000 0.865 453 V CB 2.143 34.014 31.823 0.080 0.000 0.995 453 V HN 1.185 nan 8.190 nan 0.000 0.424 454 S N 3.602 119.380 115.700 0.131 0.000 2.519 454 S HA 0.163 4.632 4.470 -0.001 0.000 0.320 454 S C -0.165 174.501 174.600 0.110 0.000 1.179 454 S CA -0.122 58.130 58.200 0.087 0.000 1.173 454 S CB -0.149 63.086 63.200 0.059 0.000 1.224 454 S HN 0.820 nan 8.310 nan 0.000 0.542 455 E N 3.918 124.119 120.200 0.002 0.000 2.146 455 E HA 0.178 4.527 4.350 -0.001 0.000 0.282 455 E C -0.266 176.357 176.600 0.038 0.000 0.989 455 E CA -0.654 55.762 56.400 0.027 0.000 0.799 455 E CB 0.513 30.186 29.700 -0.046 0.000 1.088 455 E HN 0.702 nan 8.360 nan 0.000 0.397 456 N N 2.577 121.263 118.700 -0.024 0.000 2.492 456 N HA 0.132 4.871 4.740 -0.001 0.000 0.260 456 N C -1.050 174.442 175.510 -0.030 0.000 1.215 456 N CA 0.137 53.134 53.050 -0.088 0.000 0.923 456 N CB 1.705 40.050 38.487 -0.236 0.000 1.092 456 N HN 0.216 nan 8.380 nan 0.000 0.448 457 V N 3.462 123.368 119.914 -0.014 0.000 2.971 457 V HA 0.367 4.486 4.120 -0.001 0.000 0.309 457 V C -2.447 173.725 176.094 0.130 0.000 1.130 457 V CA -2.011 60.331 62.300 0.071 0.000 0.964 457 V CB 2.503 34.367 31.823 0.068 0.000 1.029 457 V HN 0.486 nan 8.190 nan 0.000 0.427 458 P HA 0.343 nan 4.420 nan 0.000 0.267 458 P C -1.094 176.286 177.300 0.133 0.000 1.209 458 P CA 0.217 63.465 63.100 0.247 0.000 0.763 458 P CB 0.742 32.533 31.700 0.153 0.000 0.816 459 A N 4.239 127.148 122.820 0.148 0.000 2.288 459 A HA 0.621 4.941 4.320 -0.001 0.000 0.320 459 A C -0.801 176.867 177.584 0.140 0.000 1.217 459 A CA -0.433 51.680 52.037 0.126 0.000 0.840 459 A CB 0.053 19.140 19.000 0.146 0.000 1.179 459 A HN 0.460 nan 8.150 nan 0.000 0.504 460 L N 1.648 122.932 121.223 0.102 0.000 2.462 460 L HA 0.619 4.958 4.340 -0.001 0.000 0.255 460 L C -0.102 176.813 176.870 0.076 0.000 1.076 460 L CA -0.708 54.182 54.840 0.085 0.000 0.920 460 L CB 0.108 42.201 42.059 0.056 0.000 1.214 460 L HN 0.516 nan 8.230 nan 0.000 0.472 461 T N -2.749 111.873 114.554 0.114 0.000 2.876 461 T HA 0.504 4.853 4.350 -0.001 0.000 0.289 461 T C -0.694 174.090 174.700 0.139 0.000 1.014 461 T CA -0.572 61.586 62.100 0.097 0.000 0.986 461 T CB 2.428 71.341 68.868 0.076 0.000 1.021 461 T HN 0.429 nan 8.240 nan 0.000 0.458 462 D N 0.632 121.071 120.400 0.065 0.000 2.336 462 D HA 0.121 4.760 4.640 -0.001 0.000 0.249 462 D C 0.173 176.502 176.300 0.048 0.000 1.213 462 D CA -0.115 53.927 54.000 0.069 0.000 0.870 462 D CB 0.669 41.483 40.800 0.023 0.000 1.076 462 D HN 0.631 nan 8.370 nan 0.000 0.483 463 H N 2.347 121.379 119.070 -0.064 0.000 2.551 463 H HA 0.248 4.803 4.556 -0.002 0.000 0.266 463 H C 1.356 176.667 175.328 -0.028 0.000 0.977 463 H CA 0.767 56.788 56.048 -0.046 0.000 1.163 463 H CB 0.364 30.070 29.762 -0.093 0.000 1.381 463 H HN 0.728 nan 8.280 nan 0.000 0.581 464 G N -0.349 108.493 108.800 0.069 0.000 2.548 464 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.208 464 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.208 464 G C -0.518 174.399 174.900 0.028 0.000 1.308 464 G CA -0.411 44.710 45.100 0.035 0.000 0.924 464 G HN 0.241 nan 8.290 nan 0.000 0.540 465 T N 1.735 116.304 114.554 0.024 0.000 2.756 465 T HA 0.637 4.987 4.350 -0.001 0.000 0.290 465 T C 0.386 175.103 174.700 0.029 0.000 0.985 465 T CA -0.430 61.684 62.100 0.024 0.000 0.955 465 T CB 0.939 69.822 68.868 0.024 0.000 0.930 465 T HN 0.602 nan 8.240 nan 0.000 0.451 466 L N 4.718 125.959 121.223 0.030 0.000 2.330 466 L HA 0.548 4.887 4.340 -0.001 0.000 0.271 466 L C -2.145 174.755 176.870 0.049 0.000 1.013 466 L CA -2.764 52.098 54.840 0.036 0.000 0.816 466 L CB 1.665 43.740 42.059 0.027 0.000 1.287 466 L HN 0.300 nan 8.230 nan 0.000 0.435 467 P HA 0.128 nan 4.420 nan 0.000 0.269 467 P C -1.028 176.322 177.300 0.084 0.000 1.209 467 P CA -0.311 62.837 63.100 0.080 0.000 0.776 467 P CB 1.264 33.004 31.700 0.066 0.000 0.876 468 L N 2.946 124.243 121.223 0.124 0.000 2.385 468 L HA 0.421 4.761 4.340 -0.001 0.000 0.273 468 L C 0.359 177.292 176.870 0.106 0.000 0.990 468 L CA -0.986 53.911 54.840 0.094 0.000 0.821 468 L CB 1.415 43.532 42.059 0.097 0.000 1.279 468 L HN 0.353 nan 8.230 nan 0.000 0.412 469 R N 2.099 122.630 120.500 0.052 0.000 2.543 469 R HA 0.140 4.479 4.340 -0.001 0.000 0.277 469 R C 0.180 176.485 176.300 0.008 0.000 1.074 469 R CA -0.134 55.992 56.100 0.043 0.000 1.076 469 R CB 0.693 31.005 30.300 0.019 0.000 0.993 469 R HN 0.620 nan 8.270 nan 0.000 0.459 470 N N -0.240 118.468 118.700 0.013 0.000 2.314 470 N HA -0.006 4.733 4.740 -0.001 0.000 0.200 470 N C -1.053 174.424 175.510 -0.055 0.000 1.135 470 N CA -0.062 52.971 53.050 -0.027 0.000 0.835 470 N CB 0.774 39.285 38.487 0.040 0.000 0.989 470 N HN 0.322 nan 8.380 nan 0.000 0.478 471 S N 0.173 115.848 115.700 -0.041 0.000 2.571 471 S HA 0.437 4.906 4.470 -0.001 0.000 0.238 471 S C -0.626 173.953 174.600 -0.035 0.000 1.153 471 S CA -0.829 57.349 58.200 -0.037 0.000 1.141 471 S CB 0.069 63.256 63.200 -0.021 0.000 1.133 471 S HN 0.101 nan 8.310 nan 0.000 0.464 472 I N 2.356 122.900 120.570 -0.045 0.000 2.307 472 I HA 0.508 4.677 4.170 -0.001 0.000 0.289 472 I C 1.066 177.168 176.117 -0.026 0.000 1.021 472 I CA -0.763 60.511 61.300 -0.042 0.000 1.224 472 I CB 0.977 38.938 38.000 -0.065 0.000 1.376 472 I HN 0.755 nan 8.210 nan 0.000 0.470 473 G N 3.621 112.409 108.800 -0.020 0.000 2.484 473 G HA2 0.212 4.171 3.960 -0.001 0.000 0.235 473 G HA3 0.212 4.171 3.960 -0.001 0.000 0.235 473 G C 0.974 175.869 174.900 -0.009 0.000 1.282 473 G CA -0.336 44.758 45.100 -0.010 0.000 0.857 473 G HN 0.915 nan 8.290 nan 0.000 0.571 474 G N -0.659 108.141 108.800 -0.001 0.000 3.234 474 G HA2 0.315 4.274 3.960 -0.001 0.000 0.221 474 G HA3 0.315 4.274 3.960 -0.001 0.000 0.221 474 G C 0.353 175.258 174.900 0.009 0.000 1.229 474 G CA 0.702 45.802 45.100 -0.000 0.000 0.909 474 G HN 1.354 nan 8.290 nan 0.000 0.510 475 V N -2.939 116.979 119.914 0.007 0.000 2.666 475 V HA 0.347 4.466 4.120 -0.001 0.000 0.269 475 V C -0.683 175.416 176.094 0.008 0.000 0.926 475 V CA -1.265 61.046 62.300 0.018 0.000 1.035 475 V CB 0.364 32.200 31.823 0.022 0.000 1.099 475 V HN -0.021 nan 8.190 nan 0.000 0.519 476 Q N 1.960 121.758 119.800 -0.004 0.000 2.299 476 Q HA 0.500 4.839 4.340 -0.001 0.000 0.246 476 Q C -0.237 175.734 176.000 -0.049 0.000 0.935 476 Q CA -0.002 55.781 55.803 -0.034 0.000 0.887 476 Q CB 2.213 30.922 28.738 -0.049 0.000 1.223 476 Q HN 0.742 nan 8.270 nan 0.000 0.439 477 R N 0.882 121.341 120.500 -0.067 0.000 2.338 477 R HA 0.490 4.830 4.340 -0.001 0.000 0.317 477 R C -1.138 175.063 176.300 -0.166 0.000 0.968 477 R CA -0.400 55.656 56.100 -0.074 0.000 0.849 477 R CB 0.926 31.253 30.300 0.046 0.000 1.128 477 R HN 0.315 nan 8.270 nan 0.000 0.448 478 V N 3.072 122.766 119.914 -0.367 0.000 2.459 478 V HA 0.492 4.611 4.120 -0.001 0.000 0.295 478 V C -0.245 175.703 176.094 -0.244 0.000 1.029 478 V CA -0.599 61.443 62.300 -0.430 0.000 0.874 478 V CB 1.913 33.167 31.823 -0.950 0.000 0.985 478 V HN 0.784 nan 8.190 nan 0.000 0.438 479 T N 5.742 120.266 114.554 -0.051 0.000 3.050 479 T HA 0.466 4.815 4.350 -0.001 0.000 0.310 479 T C -0.537 174.124 174.700 -0.065 0.000 0.978 479 T CA -0.256 61.854 62.100 0.017 0.000 1.013 479 T CB 0.790 69.755 68.868 0.163 0.000 1.000 479 T HN 0.435 nan 8.240 nan 0.000 0.447 480 I N 4.415 124.887 120.570 -0.163 0.000 2.282 480 I HA 0.252 4.421 4.170 -0.001 0.000 0.290 480 I C 1.328 177.366 176.117 -0.133 0.000 1.090 480 I CA -0.601 60.516 61.300 -0.305 0.000 1.231 480 I CB -0.310 37.445 38.000 -0.407 0.000 1.434 480 I HN 0.616 nan 8.210 nan 0.000 0.487 481 T N 2.420 116.940 114.554 -0.056 0.000 2.847 481 T HA 0.339 4.688 4.350 -0.001 0.000 0.279 481 T C 0.080 174.730 174.700 -0.084 0.000 0.984 481 T CA -0.669 61.422 62.100 -0.015 0.000 0.988 481 T CB 2.183 71.104 68.868 0.088 0.000 1.040 481 T HN 0.647 nan 8.240 nan 0.000 0.528 482 D N -0.116 120.229 120.400 -0.092 0.000 2.588 482 D HA 0.360 5.000 4.640 -0.001 0.000 0.268 482 D C 1.266 177.338 176.300 -0.380 0.000 1.176 482 D CA -0.660 53.235 54.000 -0.175 0.000 1.080 482 D CB 1.376 42.211 40.800 0.060 0.000 1.186 482 D HN 0.649 nan 8.370 nan 0.000 0.619 483 A N -0.610 121.996 122.820 -0.358 0.000 2.248 483 A HA -0.072 4.247 4.320 -0.001 0.000 0.210 483 A C 1.496 179.031 177.584 -0.083 0.000 1.174 483 A CA 0.601 52.445 52.037 -0.322 0.000 0.750 483 A CB -0.515 18.360 19.000 -0.209 0.000 0.780 483 A HN 0.490 nan 8.150 nan 0.000 0.478 484 R N -1.607 118.878 120.500 -0.024 0.000 2.662 484 R HA 0.305 4.644 4.340 -0.001 0.000 0.396 484 R C -0.140 176.197 176.300 0.062 0.000 1.096 484 R CA -0.465 55.667 56.100 0.054 0.000 1.081 484 R CB 0.192 30.542 30.300 0.083 0.000 1.382 484 R HN 0.346 nan 8.270 nan 0.000 0.580 485 R N 1.915 122.450 120.500 0.060 0.000 3.301 485 R HA -0.209 4.131 4.340 -0.001 0.000 0.249 485 R C -0.668 175.634 176.300 0.003 0.000 0.964 485 R CA 0.870 57.011 56.100 0.069 0.000 0.653 485 R CB -0.772 29.596 30.300 0.113 0.000 1.043 485 R HN 0.198 nan 8.270 nan 0.000 0.454 486 R N -0.448 120.035 120.500 -0.028 0.000 2.803 486 R HA 0.283 4.622 4.340 -0.001 0.000 0.276 486 R C 0.281 176.479 176.300 -0.171 0.000 0.978 486 R CA -0.464 55.552 56.100 -0.141 0.000 0.939 486 R CB 1.404 31.550 30.300 -0.256 0.000 1.179 486 R HN 0.194 nan 8.270 nan 0.000 0.472 487 T N -1.987 112.434 114.554 -0.221 0.000 2.930 487 T HA 0.048 4.397 4.350 -0.001 0.000 0.306 487 T C 0.500 175.073 174.700 -0.212 0.000 1.045 487 T CA -0.542 61.454 62.100 -0.174 0.000 1.134 487 T CB 0.584 69.357 68.868 -0.158 0.000 0.961 487 T HN 0.583 nan 8.240 nan 0.000 0.545 488 C N 6.483 125.729 119.300 -0.091 0.000 2.246 488 C HA 0.555 5.014 4.460 -0.001 0.000 0.329 488 C C -1.887 173.065 174.990 -0.063 0.000 1.221 488 C CA -1.830 57.186 59.018 -0.003 0.000 1.697 488 C CB -0.119 27.660 27.740 0.064 0.000 2.312 488 C HN 0.784 nan 8.230 nan 0.000 0.509 489 P HA 0.210 nan 4.420 nan 0.000 0.243 489 P C -0.404 176.623 177.300 -0.455 0.000 1.672 489 P CA 0.422 63.339 63.100 -0.306 0.000 1.000 489 P CB -0.481 30.989 31.700 -0.383 0.000 1.562 490 Y N -1.477 118.812 120.300 -0.019 0.000 2.500 490 Y HA 0.162 4.711 4.550 -0.002 0.000 0.246 490 Y C 0.786 176.714 175.900 0.047 0.000 1.146 490 Y CA -0.255 57.844 58.100 -0.002 0.000 1.230 490 Y CB 1.075 39.535 38.460 -0.000 0.000 1.214 490 Y HN -0.302 nan 8.280 nan 0.000 0.526 491 V N 1.627 121.630 119.914 0.149 0.000 2.356 491 V HA -0.051 4.068 4.120 -0.001 0.000 0.258 491 V C 0.395 176.571 176.094 0.137 0.000 1.065 491 V CA 0.383 62.766 62.300 0.139 0.000 0.935 491 V CB -0.338 31.535 31.823 0.084 0.000 1.061 491 V HN 0.433 nan 8.190 nan 0.000 0.484 492 Y N 2.943 123.194 120.300 -0.083 0.000 2.397 492 Y HA 0.141 4.690 4.550 -0.002 0.000 0.292 492 Y C 1.506 176.977 175.900 -0.715 0.000 1.115 492 Y CA 0.479 58.377 58.100 -0.336 0.000 1.208 492 Y CB 0.683 39.073 38.460 -0.117 0.000 1.046 492 Y HN 0.415 nan 8.280 nan 0.000 0.552 493 K N 0.694 121.004 120.400 -0.149 0.000 2.579 493 K HA 0.610 4.929 4.320 -0.001 0.000 0.250 493 K C -1.513 175.139 176.600 0.086 0.000 0.952 493 K CA -0.424 55.786 56.287 -0.129 0.000 0.857 493 K CB 1.217 33.645 32.500 -0.120 0.000 1.123 493 K HN 0.008 nan 8.250 nan 0.000 0.433 494 A N 3.799 126.726 122.820 0.178 0.000 2.355 494 A HA 0.881 5.200 4.320 -0.001 0.000 0.324 494 A C -1.678 176.186 177.584 0.468 0.000 1.117 494 A CA -0.616 51.676 52.037 0.426 0.000 0.785 494 A CB 0.974 20.302 19.000 0.545 0.000 1.254 494 A HN 0.564 nan 8.150 nan 0.000 0.453 495 L N 0.393 121.903 121.223 0.477 0.000 2.469 495 L HA 0.852 5.191 4.340 -0.001 0.000 0.256 495 L C -0.034 176.918 176.870 0.138 0.000 1.006 495 L CA 0.120 55.134 54.840 0.289 0.000 0.832 495 L CB 2.271 44.428 42.059 0.164 0.000 1.421 495 L HN 1.070 nan 8.230 nan 0.000 0.410 496 G N 2.465 111.320 108.800 0.091 0.000 2.741 496 G HA2 0.655 4.615 3.960 -0.001 0.000 0.293 496 G HA3 0.655 4.615 3.960 -0.001 0.000 0.293 496 G C -1.725 173.201 174.900 0.043 0.000 1.457 496 G CA -0.225 44.856 45.100 -0.032 0.000 1.098 496 G HN 0.422 nan 8.290 nan 0.000 0.536 497 I N 2.364 122.925 120.570 -0.015 0.000 2.410 497 I HA 0.374 4.543 4.170 -0.001 0.000 0.286 497 I C -0.369 175.695 176.117 -0.088 0.000 1.009 497 I CA -1.022 60.289 61.300 0.020 0.000 1.111 497 I CB 2.150 40.197 38.000 0.078 0.000 1.262 497 I HN 0.196 nan 8.210 nan 0.000 0.443 498 V N 3.538 123.373 119.914 -0.132 0.000 2.513 498 V HA 0.512 4.631 4.120 -0.001 0.000 0.299 498 V C -0.022 175.974 176.094 -0.164 0.000 1.035 498 V CA -0.607 61.611 62.300 -0.137 0.000 0.889 498 V CB 1.571 33.320 31.823 -0.123 0.000 0.988 498 V HN 0.738 nan 8.190 nan 0.000 0.440 499 S N 4.828 120.463 115.700 -0.109 0.000 2.406 499 S HA 0.449 4.919 4.470 -0.001 0.000 0.224 499 S C -2.742 171.838 174.600 -0.033 0.000 1.426 499 S CA -1.098 57.048 58.200 -0.090 0.000 1.179 499 S CB 0.802 63.965 63.200 -0.062 0.000 1.042 499 S HN 0.603 nan 8.310 nan 0.000 0.479 500 P HA 0.312 nan 4.420 nan 0.000 0.271 500 P C -0.204 177.212 177.300 0.193 0.000 1.216 500 P CA -0.241 62.879 63.100 0.033 0.000 0.776 500 P CB 0.469 32.081 31.700 -0.148 0.000 0.881 501 R N 0.462 121.207 120.500 0.409 0.000 2.663 501 R HA 0.591 4.930 4.340 -0.001 0.000 0.267 501 R C -0.990 175.470 176.300 0.266 0.000 1.038 501 R CA -1.173 55.167 56.100 0.399 0.000 0.886 501 R CB 0.426 30.824 30.300 0.163 0.000 1.249 501 R HN 0.145 nan 8.270 nan 0.000 0.463 502 V N 0.474 120.321 119.914 -0.111 0.000 3.051 502 V HA 0.187 4.306 4.120 -0.001 0.000 0.306 502 V C 0.415 176.375 176.094 -0.222 0.000 1.083 502 V CA -0.588 61.418 62.300 -0.489 0.000 1.104 502 V CB 0.668 32.178 31.823 -0.521 0.000 1.027 502 V HN 0.710 nan 8.190 nan 0.000 0.483 503 L N 1.017 122.099 121.223 -0.235 0.000 3.066 503 L HA 0.291 4.630 4.340 -0.001 0.000 0.272 503 L C 0.936 177.754 176.870 -0.086 0.000 1.101 503 L CA 1.270 56.048 54.840 -0.103 0.000 1.022 503 L CB 0.131 42.172 42.059 -0.030 0.000 1.600 503 L HN 1.084 nan 8.230 nan 0.000 0.559 504 S N -2.296 113.341 115.700 -0.106 0.000 4.078 504 S HA 0.742 5.212 4.470 -0.001 0.000 0.290 504 S C -0.143 174.416 174.600 -0.069 0.000 1.069 504 S CA -0.290 57.878 58.200 -0.055 0.000 1.246 504 S CB 2.512 65.719 63.200 0.012 0.000 1.659 504 S HN -0.051 nan 8.310 nan 0.000 0.624 505 S N -0.846 114.850 115.700 -0.007 0.000 3.003 505 S HA 0.588 5.057 4.470 -0.001 0.000 0.313 505 S C -1.132 173.503 174.600 0.059 0.000 1.230 505 S CA -0.803 57.390 58.200 -0.012 0.000 0.977 505 S CB 1.311 64.491 63.200 -0.034 0.000 1.340 505 S HN 0.611 nan 8.310 nan 0.000 0.608 506 R N 1.017 121.537 120.500 0.035 0.000 2.997 506 R HA 0.571 4.910 4.340 -0.001 0.000 0.358 506 R C -0.237 176.084 176.300 0.035 0.000 1.191 506 R CA 0.626 56.765 56.100 0.065 0.000 1.113 506 R CB 0.113 30.452 30.300 0.066 0.000 1.433 506 R HN 0.852 nan 8.270 nan 0.000 0.584 507 T N 0.000 114.565 114.554 0.019 0.000 3.816 507 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 507 T CA 0.000 nan 62.100 nan 0.000 1.349 507 T CB 0.000 nan 68.868 nan 0.000 0.612 507 T HN 0.000 nan 8.240 nan 0.000 0.658