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_O 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 -0.045 0.000 1.109 49 T CA 0.000 62.054 62.100 -0.077 0.000 1.349 49 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 50 G N 1.240 110.028 108.800 -0.019 0.000 2.559 50 G HA2 0.315 4.274 3.960 -0.001 0.000 0.216 50 G HA3 0.315 4.274 3.960 -0.001 0.000 0.216 50 G C 1.065 175.966 174.900 0.003 0.000 1.126 50 G CA 1.132 46.237 45.100 0.008 0.000 0.778 50 G HN 0.674 nan 8.290 nan 0.000 0.543 51 G N 0.316 109.103 108.800 -0.022 0.000 2.961 51 G HA2 0.200 4.159 3.960 -0.001 0.000 0.150 51 G HA3 0.200 4.159 3.960 -0.001 0.000 0.150 51 G C 0.208 175.083 174.900 -0.042 0.000 1.864 51 G CA -0.453 44.627 45.100 -0.032 0.000 0.992 51 G HN 0.161 nan 8.290 nan 0.000 0.458 52 R N 1.799 122.271 120.500 -0.046 0.000 2.215 52 R HA 0.239 4.578 4.340 -0.001 0.000 0.337 52 R C -0.492 175.812 176.300 0.007 0.000 1.010 52 R CA -0.434 55.645 56.100 -0.035 0.000 0.871 52 R CB 0.540 30.823 30.300 -0.029 0.000 1.134 52 R HN 0.638 nan 8.270 nan 0.000 0.477 53 N N -0.862 117.872 118.700 0.057 0.000 2.351 53 N HA 0.023 4.763 4.740 -0.001 0.000 0.254 53 N C -0.770 174.985 175.510 0.408 0.000 1.241 53 N CA -0.468 52.698 53.050 0.192 0.000 0.883 53 N CB 0.544 39.100 38.487 0.114 0.000 1.202 53 N HN 0.030 nan 8.380 nan 0.000 0.512 54 S N 0.866 116.713 115.700 0.245 0.000 2.548 54 S HA 0.406 4.875 4.470 -0.001 0.000 0.277 54 S C 0.273 174.959 174.600 0.142 0.000 1.315 54 S CA -0.410 57.874 58.200 0.140 0.000 1.050 54 S CB 0.747 63.934 63.200 -0.021 0.000 0.918 54 S HN 0.266 nan 8.310 nan 0.000 0.497 55 I N 2.932 123.558 120.570 0.093 0.000 2.464 55 I HA 0.357 4.527 4.170 -0.001 0.000 0.277 55 I C 0.177 176.294 176.117 0.001 0.000 1.040 55 I CA -0.242 61.024 61.300 -0.057 0.000 1.153 55 I CB 0.785 38.702 38.000 -0.137 0.000 1.274 55 I HN 0.345 nan 8.210 nan 0.000 0.469 56 R N 3.428 123.922 120.500 -0.011 0.000 2.407 56 R HA 0.404 4.743 4.340 -0.001 0.000 0.303 56 R C -0.520 175.812 176.300 0.053 0.000 0.981 56 R CA -0.521 55.593 56.100 0.024 0.000 0.905 56 R CB 1.920 32.217 30.300 -0.005 0.000 1.099 56 R HN 0.418 nan 8.270 nan 0.000 0.459 57 Y N 1.181 121.453 120.300 -0.047 0.000 3.033 57 Y HA 0.219 4.768 4.550 -0.001 0.000 0.491 57 Y C 1.183 177.049 175.900 -0.056 0.000 1.358 57 Y CA -0.097 57.968 58.100 -0.058 0.000 1.979 57 Y CB -0.318 38.119 38.460 -0.038 0.000 1.668 57 Y HN 0.537 nan 8.280 nan 0.000 0.729 58 S N -0.354 114.603 115.700 -1.239 0.000 2.354 58 S HA 0.088 4.557 4.470 -0.001 0.000 0.209 58 S C 0.578 174.927 174.600 -0.419 0.000 1.248 58 S CA 0.167 57.852 58.200 -0.857 0.000 1.211 58 S CB -0.491 61.981 63.200 -1.214 0.000 0.896 58 S HN 0.546 nan 8.310 nan 0.000 0.447 59 E N 0.912 120.926 120.200 -0.310 0.000 2.301 59 E HA 0.111 4.460 4.350 -0.001 0.000 0.195 59 E C 0.254 176.810 176.600 -0.074 0.000 1.171 59 E CA -0.187 56.132 56.400 -0.135 0.000 1.142 59 E CB -0.069 29.590 29.700 -0.069 0.000 1.218 59 E HN 0.235 nan 8.360 nan 0.000 0.448 60 L N 0.369 121.541 121.223 -0.085 0.000 2.543 60 L HA 0.400 4.739 4.340 -0.001 0.000 0.181 60 L C -0.043 176.868 176.870 0.068 0.000 1.437 60 L CA 0.171 55.050 54.840 0.066 0.000 3.059 60 L CB 0.137 42.356 42.059 0.267 0.000 2.916 60 L HN 0.003 nan 8.230 nan 0.000 1.037 61 A N -0.947 121.937 122.820 0.107 0.000 2.422 61 A HA 0.731 5.050 4.320 -0.001 0.000 0.302 61 A C -2.627 175.024 177.584 0.111 0.000 1.041 61 A CA -1.237 50.857 52.037 0.096 0.000 0.708 61 A CB 0.767 19.822 19.000 0.092 0.000 1.257 61 A HN 0.290 nan 8.150 nan 0.000 0.414 62 P HA 0.429 nan 4.420 nan 0.000 0.276 62 P C -1.082 176.373 177.300 0.257 0.000 1.264 62 P CA 0.168 63.378 63.100 0.183 0.000 0.769 62 P CB 0.409 32.218 31.700 0.183 0.000 0.840 63 L N 5.553 126.898 121.223 0.205 0.000 2.335 63 L HA 0.392 4.731 4.340 -0.001 0.000 0.268 63 L C -0.040 176.975 176.870 0.240 0.000 1.037 63 L CA -0.490 54.437 54.840 0.145 0.000 0.895 63 L CB -0.315 41.782 42.059 0.063 0.000 1.266 63 L HN 0.311 nan 8.230 nan 0.000 0.439 64 F N 0.183 120.164 119.950 0.051 0.000 2.410 64 F HA 0.696 5.222 4.527 -0.001 0.000 0.348 64 F C -0.005 175.852 175.800 0.095 0.000 1.106 64 F CA -0.971 57.080 58.000 0.086 0.000 1.163 64 F CB 0.651 39.699 39.000 0.080 0.000 1.129 64 F HN 0.328 nan 8.300 nan 0.000 0.516 65 D N 1.392 122.006 120.400 0.357 0.000 9.781 65 D HA -0.162 4.477 4.640 -0.001 0.000 0.283 65 D C -0.108 176.317 176.300 0.208 0.000 2.757 65 D CA 0.925 55.085 54.000 0.267 0.000 2.589 65 D CB -0.482 40.405 40.800 0.146 0.000 1.049 65 D HN 1.195 nan 8.370 nan 0.000 0.767 66 T N 0.758 115.478 114.554 0.276 0.000 0.604 66 T HA -0.077 4.273 4.350 -0.001 0.000 0.769 66 T C -0.099 174.631 174.700 0.050 0.000 0.992 66 T CA 2.043 64.245 62.100 0.170 0.000 4.043 66 T CB -0.081 68.861 68.868 0.123 0.000 2.285 66 T HN 0.722 nan 8.240 nan 0.000 0.397 67 T N 4.408 118.951 114.554 -0.017 0.000 2.647 67 T HA 0.691 5.040 4.350 -0.001 0.000 0.295 67 T C -1.550 173.057 174.700 -0.155 0.000 1.126 67 T CA -0.988 61.063 62.100 -0.082 0.000 1.040 67 T CB 0.994 69.802 68.868 -0.101 0.000 1.472 67 T HN 0.658 nan 8.240 nan 0.000 0.500 68 R N 1.422 121.767 120.500 -0.258 0.000 2.445 68 R HA 0.642 4.982 4.340 -0.001 0.000 0.308 68 R C -0.803 175.118 176.300 -0.633 0.000 0.961 68 R CA -0.546 55.273 56.100 -0.468 0.000 0.862 68 R CB 1.121 31.028 30.300 -0.654 0.000 1.144 68 R HN 0.548 nan 8.270 nan 0.000 0.447 69 V N 1.211 120.809 119.914 -0.527 0.000 2.581 69 V HA 0.592 4.711 4.120 -0.001 0.000 0.303 69 V C -0.702 175.206 176.094 -0.310 0.000 1.041 69 V CA -1.080 60.977 62.300 -0.404 0.000 0.907 69 V CB 1.416 33.109 31.823 -0.216 0.000 0.994 69 V HN 0.580 nan 8.190 nan 0.000 0.442 70 Y N 3.250 123.520 120.300 -0.050 0.000 2.331 70 Y HA 0.653 5.203 4.550 -0.001 0.000 0.334 70 Y C -0.174 175.717 175.900 -0.015 0.000 0.960 70 Y CA -0.946 57.138 58.100 -0.026 0.000 1.130 70 Y CB 1.885 40.339 38.460 -0.010 0.000 1.164 70 Y HN 0.492 nan 8.280 nan 0.000 0.458 71 L N 5.744 127.057 121.223 0.150 0.000 2.288 71 L HA 0.518 4.857 4.340 -0.001 0.000 0.283 71 L C -0.806 176.171 176.870 0.178 0.000 1.072 71 L CA -0.806 54.090 54.840 0.093 0.000 0.862 71 L CB -0.023 42.033 42.059 -0.005 0.000 1.245 71 L HN 0.365 nan 8.230 nan 0.000 0.432 72 V N -0.897 119.146 119.914 0.214 0.000 2.555 72 V HA 0.331 4.450 4.120 -0.001 0.000 0.302 72 V C 0.345 176.655 176.094 0.359 0.000 1.038 72 V CA -0.778 61.668 62.300 0.243 0.000 0.887 72 V CB 1.757 33.656 31.823 0.125 0.000 0.991 72 V HN 0.631 nan 8.190 nan 0.000 0.434 73 D N 2.008 122.613 120.400 0.341 0.000 2.213 73 D HA -0.119 4.520 4.640 -0.001 0.000 0.205 73 D C 1.226 177.549 176.300 0.040 0.000 0.961 73 D CA 0.898 54.952 54.000 0.090 0.000 0.853 73 D CB -0.115 40.584 40.800 -0.168 0.000 0.967 73 D HN 0.641 nan 8.370 nan 0.000 0.496 74 N N 0.154 118.908 118.700 0.089 0.000 2.571 74 N HA -0.040 4.699 4.740 -0.001 0.000 0.189 74 N C 0.010 175.549 175.510 0.048 0.000 1.154 74 N CA -0.006 53.083 53.050 0.064 0.000 0.907 74 N CB 0.181 38.703 38.487 0.059 0.000 0.977 74 N HN 0.002 nan 8.380 nan 0.000 0.449 75 K N 1.196 121.631 120.400 0.060 0.000 2.402 75 K HA 0.004 4.323 4.320 -0.001 0.000 0.279 75 K C 0.683 177.309 176.600 0.044 0.000 1.082 75 K CA 0.061 56.380 56.287 0.053 0.000 1.080 75 K CB 0.774 33.316 32.500 0.071 0.000 0.899 75 K HN 0.114 nan 8.250 nan 0.000 0.469 76 S N 1.771 117.491 115.700 0.035 0.000 2.387 76 S HA -0.183 4.286 4.470 -0.001 0.000 0.230 76 S C 2.024 176.645 174.600 0.035 0.000 1.035 76 S CA 2.191 60.410 58.200 0.032 0.000 1.014 76 S CB -0.126 63.089 63.200 0.025 0.000 0.836 76 S HN 0.828 nan 8.310 nan 0.000 0.466 77 T N 1.566 116.142 114.554 0.038 0.000 2.737 77 T HA -0.147 4.202 4.350 -0.001 0.000 0.265 77 T C 1.500 176.226 174.700 0.043 0.000 1.038 77 T CA 1.538 63.661 62.100 0.039 0.000 1.144 77 T CB -0.700 68.193 68.868 0.042 0.000 0.866 77 T HN 0.569 nan 8.240 nan 0.000 0.434 78 D N 1.277 121.708 120.400 0.051 0.000 2.234 78 D HA 0.003 4.642 4.640 -0.001 0.000 0.205 78 D C 2.030 178.365 176.300 0.057 0.000 0.962 78 D CA 0.239 54.272 54.000 0.056 0.000 0.855 78 D CB -0.945 39.896 40.800 0.068 0.000 0.951 78 D HN 0.363 nan 8.370 nan 0.000 0.500 79 V N 0.727 120.671 119.914 0.050 0.000 2.380 79 V HA -0.267 3.853 4.120 -0.001 0.000 0.251 79 V C 2.582 178.729 176.094 0.088 0.000 1.063 79 V CA 1.994 64.321 62.300 0.045 0.000 1.055 79 V CB -0.795 31.046 31.823 0.029 0.000 0.657 79 V HN 0.463 nan 8.190 nan 0.000 0.455 80 A N -0.783 122.089 122.820 0.087 0.000 1.861 80 A HA -0.106 4.214 4.320 -0.001 0.000 0.212 80 A C 2.451 180.065 177.584 0.050 0.000 1.199 80 A CA 1.665 53.763 52.037 0.102 0.000 0.613 80 A CB -0.622 18.411 19.000 0.056 0.000 0.846 80 A HN 0.514 nan 8.150 nan 0.000 0.446 81 S N -0.334 115.381 115.700 0.026 0.000 2.368 81 S HA 0.105 4.574 4.470 -0.001 0.000 0.224 81 S C 0.587 175.195 174.600 0.013 0.000 1.029 81 S CA 1.292 59.492 58.200 0.000 0.000 0.988 81 S CB -0.574 62.635 63.200 0.014 0.000 0.838 81 S HN 0.500 nan 8.310 nan 0.000 0.462 82 L N -0.928 120.325 121.223 0.050 0.000 2.376 82 L HA 0.644 4.984 4.340 -0.001 0.000 0.258 82 L C -0.071 176.852 176.870 0.087 0.000 1.013 82 L CA -1.052 53.828 54.840 0.066 0.000 0.822 82 L CB 0.930 43.025 42.059 0.061 0.000 1.388 82 L HN -0.170 nan 8.230 nan 0.000 0.413 83 N N -0.958 117.795 118.700 0.090 0.000 2.965 83 N HA -0.315 4.425 4.740 -0.001 0.000 0.232 83 N C 0.712 176.265 175.510 0.071 0.000 0.913 83 N CA 1.696 54.781 53.050 0.058 0.000 0.981 83 N CB -1.424 37.062 38.487 -0.001 0.000 1.077 83 N HN 0.964 nan 8.380 nan 0.000 0.589 84 Y N 1.838 122.121 120.300 -0.028 0.000 2.069 84 Y HA -0.271 4.278 4.550 -0.001 0.000 0.278 84 Y C 2.127 178.002 175.900 -0.041 0.000 1.175 84 Y CA 2.806 60.887 58.100 -0.032 0.000 1.134 84 Y CB 0.023 38.472 38.460 -0.019 0.000 0.965 84 Y HN 0.430 nan 8.280 nan 0.000 0.498 85 Q N 0.480 120.350 119.800 0.118 0.000 2.341 85 Q HA 0.277 4.616 4.340 -0.001 0.000 0.325 85 Q C -1.092 174.892 176.000 -0.027 0.000 0.920 85 Q CA -0.283 55.517 55.803 -0.005 0.000 1.065 85 Q CB -0.140 28.632 28.738 0.056 0.000 1.218 85 Q HN 0.412 nan 8.270 nan 0.000 0.434 86 N N 1.247 119.919 118.700 -0.046 0.000 2.321 86 N HA 0.217 4.956 4.740 -0.001 0.000 0.290 86 N C -1.217 174.220 175.510 -0.123 0.000 1.212 86 N CA -0.352 52.665 53.050 -0.055 0.000 0.767 86 N CB 1.933 40.421 38.487 0.002 0.000 1.494 86 N HN 0.276 nan 8.380 nan 0.000 0.479 87 D N -0.980 119.346 120.400 -0.123 0.000 2.509 87 D HA 0.214 4.853 4.640 -0.001 0.000 0.275 87 D C 0.314 176.456 176.300 -0.262 0.000 1.189 87 D CA 0.108 54.013 54.000 -0.157 0.000 1.098 87 D CB 0.379 41.112 40.800 -0.111 0.000 1.177 87 D HN 0.488 nan 8.370 nan 0.000 0.599 88 H N -2.283 116.674 119.070 -0.188 0.000 2.648 88 H HA 0.305 4.861 4.556 -0.001 0.000 0.265 88 H C 0.884 176.173 175.328 -0.065 0.000 0.961 88 H CA 0.397 56.285 56.048 -0.266 0.000 1.185 88 H CB 0.664 30.334 29.762 -0.152 0.000 1.449 88 H HN 0.211 nan 8.280 nan 0.000 0.523 89 S N 0.343 116.102 115.700 0.099 0.000 2.597 89 S HA 0.081 4.550 4.470 -0.001 0.000 0.224 89 S C -0.175 174.507 174.600 0.138 0.000 0.955 89 S CA -0.234 58.026 58.200 0.100 0.000 0.933 89 S CB -0.438 62.764 63.200 0.003 0.000 0.788 89 S HN 0.460 nan 8.310 nan 0.000 0.488 90 N N 0.735 119.571 118.700 0.226 0.000 2.839 90 N HA 0.339 5.079 4.740 -0.001 0.000 0.258 90 N C -1.044 174.670 175.510 0.340 0.000 1.150 90 N CA -0.602 52.590 53.050 0.236 0.000 0.957 90 N CB 0.413 38.942 38.487 0.071 0.000 1.560 90 N HN 0.259 nan 8.380 nan 0.000 0.588 91 F N 0.652 120.623 119.950 0.034 0.000 2.779 91 F HA 0.728 5.255 4.527 -0.001 0.000 0.316 91 F C -1.989 173.836 175.800 0.043 0.000 1.164 91 F CA -1.263 56.747 58.000 0.016 0.000 0.924 91 F CB 1.206 40.195 39.000 -0.017 0.000 1.348 91 F HN 0.079 nan 8.300 nan 0.000 0.467 92 L N 1.373 122.793 121.223 0.328 0.000 2.346 92 L HA 0.726 5.065 4.340 -0.001 0.000 0.276 92 L C -0.437 176.551 176.870 0.196 0.000 1.006 92 L CA -0.525 54.401 54.840 0.144 0.000 0.817 92 L CB 2.215 44.336 42.059 0.103 0.000 1.272 92 L HN 0.756 nan 8.230 nan 0.000 0.421 93 T N 0.097 114.703 114.554 0.088 0.000 2.863 93 T HA 0.398 4.747 4.350 -0.001 0.000 0.285 93 T C -0.251 174.483 174.700 0.058 0.000 1.009 93 T CA -0.550 61.618 62.100 0.114 0.000 0.989 93 T CB 1.524 70.446 68.868 0.091 0.000 1.004 93 T HN 0.670 nan 8.240 nan 0.000 0.455 94 T N 1.109 115.701 114.554 0.064 0.000 2.727 94 T HA 0.282 4.632 4.350 -0.001 0.000 0.295 94 T C 1.007 175.723 174.700 0.026 0.000 0.915 94 T CA -0.662 61.461 62.100 0.038 0.000 1.066 94 T CB -0.012 68.882 68.868 0.043 0.000 0.891 94 T HN 0.279 nan 8.240 nan 0.000 0.516 95 V N 4.299 124.210 119.914 -0.005 0.000 3.649 95 V HA 0.244 4.363 4.120 -0.001 0.000 0.275 95 V C 1.079 177.129 176.094 -0.074 0.000 1.281 95 V CA 0.095 62.381 62.300 -0.024 0.000 1.143 95 V CB -0.830 30.965 31.823 -0.047 0.000 0.892 95 V HN 0.873 nan 8.190 nan 0.000 0.441 96 I N 1.307 121.831 120.570 -0.077 0.000 2.260 96 I HA 0.160 4.329 4.170 -0.001 0.000 0.297 96 I C 0.653 176.736 176.117 -0.058 0.000 1.143 96 I CA -0.016 61.199 61.300 -0.142 0.000 1.271 96 I CB 0.723 38.660 38.000 -0.105 0.000 1.461 96 I HN 0.150 nan 8.210 nan 0.000 0.530 97 Q N 3.883 123.648 119.800 -0.058 0.000 2.380 97 Q HA 0.099 4.438 4.340 -0.001 0.000 0.254 97 Q C 0.035 176.046 176.000 0.018 0.000 0.927 97 Q CA 0.141 55.950 55.803 0.010 0.000 0.950 97 Q CB -0.451 28.318 28.738 0.051 0.000 1.206 97 Q HN 0.423 nan 8.270 nan 0.000 0.414 98 N N 0.267 118.997 118.700 0.049 0.000 2.425 98 N HA 0.039 4.778 4.740 -0.001 0.000 0.268 98 N C 0.411 176.016 175.510 0.158 0.000 0.991 98 N CA -0.068 53.068 53.050 0.144 0.000 0.931 98 N CB 0.994 39.694 38.487 0.354 0.000 1.130 98 N HN 0.112 nan 8.380 nan 0.000 0.493 99 N N 3.131 121.883 118.700 0.087 0.000 2.104 99 N HA -0.171 4.568 4.740 -0.001 0.000 0.190 99 N C -0.015 175.495 175.510 -0.001 0.000 1.024 99 N CA 1.686 54.760 53.050 0.040 0.000 0.853 99 N CB 0.012 38.510 38.487 0.017 0.000 1.008 99 N HN 0.567 nan 8.380 nan 0.000 0.424 100 D N -1.372 118.982 120.400 -0.076 0.000 2.338 100 D HA 0.047 4.687 4.640 -0.001 0.000 0.239 100 D C -0.585 175.427 176.300 -0.479 0.000 1.095 100 D CA 0.433 54.275 54.000 -0.262 0.000 0.888 100 D CB -0.123 40.474 40.800 -0.339 0.000 0.899 100 D HN 0.397 nan 8.370 nan 0.000 0.525 101 Y N -0.297 120.030 120.300 0.045 0.000 2.485 101 Y HA 0.348 4.897 4.550 -0.001 0.000 0.345 101 Y C 0.506 176.426 175.900 0.034 0.000 0.998 101 Y CA -1.271 56.856 58.100 0.046 0.000 1.059 101 Y CB 1.621 40.122 38.460 0.069 0.000 1.234 101 Y HN -0.349 nan 8.280 nan 0.000 0.461 102 S N 5.039 120.877 115.700 0.229 0.000 2.498 102 S HA 0.025 4.494 4.470 -0.001 0.000 0.281 102 S C -1.630 173.042 174.600 0.121 0.000 1.265 102 S CA -0.932 57.345 58.200 0.129 0.000 1.071 102 S CB 0.509 63.769 63.200 0.100 0.000 0.894 102 S HN 0.480 nan 8.310 nan 0.000 0.491 103 P HA -0.031 nan 4.420 nan 0.000 0.228 103 P C 1.359 178.690 177.300 0.051 0.000 1.151 103 P CA 0.653 63.795 63.100 0.070 0.000 0.770 103 P CB -0.017 31.718 31.700 0.057 0.000 0.786 104 G N 0.842 109.670 108.800 0.046 0.000 2.425 104 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.213 104 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.213 104 G C 1.465 176.383 174.900 0.031 0.000 1.201 104 G CA 0.167 45.286 45.100 0.032 0.000 0.799 104 G HN 0.284 nan 8.290 nan 0.000 0.534 105 E N 1.068 121.296 120.200 0.046 0.000 2.516 105 E HA 0.120 4.470 4.350 -0.001 0.000 0.199 105 E C 2.358 178.966 176.600 0.014 0.000 1.069 105 E CA 0.531 56.955 56.400 0.039 0.000 0.876 105 E CB -0.072 29.671 29.700 0.071 0.000 0.843 105 E HN 0.338 nan 8.360 nan 0.000 0.530 106 A N 0.760 123.594 122.820 0.024 0.000 1.970 106 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 106 A C 2.296 179.864 177.584 -0.027 0.000 1.170 106 A CA 1.318 53.348 52.037 -0.013 0.000 0.645 106 A CB -0.544 18.475 19.000 0.032 0.000 0.816 106 A HN 0.439 nan 8.150 nan 0.000 0.447 107 S N 0.318 116.012 115.700 -0.010 0.000 2.392 107 S HA -0.245 4.224 4.470 -0.001 0.000 0.232 107 S C 1.876 176.460 174.600 -0.026 0.000 1.041 107 S CA 2.272 60.463 58.200 -0.014 0.000 1.026 107 S CB -1.590 61.607 63.200 -0.005 0.000 0.845 107 S HN 0.557 nan 8.310 nan 0.000 0.465 108 T N 2.134 116.669 114.554 -0.032 0.000 2.653 108 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 108 T C 0.930 175.595 174.700 -0.058 0.000 1.035 108 T CA 1.588 63.662 62.100 -0.043 0.000 1.154 108 T CB -0.631 68.207 68.868 -0.050 0.000 0.862 108 T HN 0.671 nan 8.240 nan 0.000 0.441 109 Q N 1.580 121.336 119.800 -0.073 0.000 2.394 109 Q HA 0.379 4.718 4.340 -0.001 0.000 0.248 109 Q C -0.259 175.732 176.000 -0.014 0.000 0.992 109 Q CA -0.060 55.704 55.803 -0.065 0.000 0.888 109 Q CB 0.574 29.275 28.738 -0.062 0.000 1.257 109 Q HN 0.350 nan 8.270 nan 0.000 0.462 110 T N -0.027 114.524 114.554 -0.004 0.000 2.856 110 T HA 0.369 4.718 4.350 -0.001 0.000 0.283 110 T C 0.888 175.611 174.700 0.039 0.000 1.008 110 T CA -0.832 61.262 62.100 -0.009 0.000 0.997 110 T CB 1.053 69.899 68.868 -0.037 0.000 0.992 110 T HN 0.397 nan 8.240 nan 0.000 0.454 111 I N 0.784 121.348 120.570 -0.010 0.000 2.286 111 I HA -0.045 4.124 4.170 -0.001 0.000 0.245 111 I C 0.379 176.461 176.117 -0.058 0.000 1.104 111 I CA 0.901 62.186 61.300 -0.026 0.000 1.397 111 I CB -0.830 37.108 38.000 -0.104 0.000 1.072 111 I HN 0.767 nan 8.210 nan 0.000 0.417 112 N N 1.878 120.521 118.700 -0.096 0.000 2.537 112 N HA -0.166 4.574 4.740 -0.001 0.000 0.286 112 N C -0.557 174.830 175.510 -0.206 0.000 1.245 112 N CA 0.447 53.425 53.050 -0.119 0.000 0.704 112 N CB -1.263 37.180 38.487 -0.074 0.000 0.910 112 N HN 0.207 nan 8.380 nan 0.000 0.542 113 L N 0.628 121.648 121.223 -0.337 0.000 2.417 113 L HA 0.170 4.509 4.340 -0.001 0.000 0.268 113 L C 1.255 177.957 176.870 -0.279 0.000 1.158 113 L CA -0.340 54.112 54.840 -0.647 0.000 0.819 113 L CB 0.402 41.776 42.059 -1.141 0.000 1.112 113 L HN 0.300 nan 8.230 nan 0.000 0.458 114 D N 1.766 122.165 120.400 -0.002 0.000 2.493 114 D HA -0.067 4.572 4.640 -0.001 0.000 0.240 114 D C -0.217 176.258 176.300 0.291 0.000 1.142 114 D CA -0.075 54.080 54.000 0.257 0.000 0.872 114 D CB 0.931 41.951 40.800 0.368 0.000 1.173 114 D HN 0.470 nan 8.370 nan 0.000 0.467 115 D N 2.386 122.846 120.400 0.101 0.000 2.881 115 D HA 0.090 4.729 4.640 -0.001 0.000 0.240 115 D C 0.918 177.224 176.300 0.010 0.000 1.249 115 D CA -0.153 53.867 54.000 0.033 0.000 0.839 115 D CB 0.197 40.994 40.800 -0.005 0.000 1.042 115 D HN 0.238 nan 8.370 nan 0.000 0.475 116 R N -0.555 119.962 120.500 0.027 0.000 2.435 116 R HA 0.236 4.575 4.340 -0.001 0.000 0.221 116 R C -0.290 175.980 176.300 -0.049 0.000 0.885 116 R CA 0.092 56.186 56.100 -0.011 0.000 1.018 116 R CB 0.758 31.054 30.300 -0.006 0.000 1.259 116 R HN 0.071 nan 8.270 nan 0.000 0.597 117 S N -0.107 115.538 115.700 -0.091 0.000 2.542 117 S HA 0.393 4.862 4.470 -0.001 0.000 0.293 117 S C -1.029 173.403 174.600 -0.281 0.000 1.089 117 S CA -0.825 57.260 58.200 -0.192 0.000 0.961 117 S CB 1.993 64.995 63.200 -0.331 0.000 1.062 117 S HN 0.132 nan 8.310 nan 0.000 0.483 118 H N 0.464 119.452 119.070 -0.137 0.000 2.767 118 H HA 0.133 4.688 4.556 -0.001 0.000 0.316 118 H C -0.957 174.298 175.328 -0.122 0.000 1.059 118 H CA 0.366 56.386 56.048 -0.046 0.000 1.461 118 H CB 0.449 30.198 29.762 -0.021 0.000 1.475 118 H HN 0.552 nan 8.280 nan 0.000 0.531 119 W N 1.576 122.873 121.300 -0.004 0.000 2.375 119 W HA 0.444 5.104 4.660 -0.001 0.000 0.336 119 W C 0.672 177.209 176.519 0.031 0.000 1.160 119 W CA -0.230 57.117 57.345 0.004 0.000 1.266 119 W CB 1.348 30.791 29.460 -0.030 0.000 1.195 119 W HN 0.617 nan 8.180 nan 0.000 0.599 120 G N -0.320 108.652 108.800 0.286 0.000 2.714 120 G HA2 0.700 4.659 3.960 -0.001 0.000 0.292 120 G HA3 0.700 4.659 3.960 -0.001 0.000 0.292 120 G C -1.357 173.640 174.900 0.162 0.000 1.308 120 G CA -0.929 44.274 45.100 0.172 0.000 0.964 120 G HN 0.686 nan 8.290 nan 0.000 0.484 121 G N -0.293 108.558 108.800 0.085 0.000 2.719 121 G HA2 0.469 4.428 3.960 -0.001 0.000 0.298 121 G HA3 0.469 4.428 3.960 -0.001 0.000 0.298 121 G C -1.493 173.420 174.900 0.022 0.000 1.433 121 G CA -0.465 44.663 45.100 0.047 0.000 1.034 121 G HN 0.400 nan 8.290 nan 0.000 0.517 122 D N 1.090 121.501 120.400 0.018 0.000 2.371 122 D HA 0.219 4.859 4.640 -0.001 0.000 0.256 122 D C -0.527 175.766 176.300 -0.012 0.000 1.193 122 D CA 0.038 54.044 54.000 0.010 0.000 0.881 122 D CB 1.606 42.415 40.800 0.014 0.000 1.143 122 D HN 0.163 nan 8.370 nan 0.000 0.473 123 L N 4.086 125.299 121.223 -0.017 0.000 2.287 123 L HA 0.380 4.719 4.340 -0.001 0.000 0.287 123 L C -0.434 176.420 176.870 -0.028 0.000 1.022 123 L CA -0.357 54.447 54.840 -0.059 0.000 0.814 123 L CB 1.038 43.022 42.059 -0.125 0.000 1.217 123 L HN 0.163 nan 8.230 nan 0.000 0.420 124 K N 2.445 122.819 120.400 -0.042 0.000 2.259 124 K HA 0.803 5.123 4.320 -0.001 0.000 0.252 124 K C -1.089 175.470 176.600 -0.069 0.000 0.936 124 K CA -0.673 55.611 56.287 -0.005 0.000 0.810 124 K CB 1.991 34.503 32.500 0.020 0.000 1.143 124 K HN 0.683 nan 8.250 nan 0.000 0.427 125 T N -0.385 114.152 114.554 -0.028 0.000 2.916 125 T HA 0.538 4.887 4.350 -0.001 0.000 0.298 125 T C -0.339 174.437 174.700 0.126 0.000 1.031 125 T CA -0.737 61.318 62.100 -0.075 0.000 0.993 125 T CB 0.937 69.543 68.868 -0.437 0.000 1.045 125 T HN 0.346 nan 8.240 nan 0.000 0.454 126 I N 2.989 123.667 120.570 0.180 0.000 2.405 126 I HA 0.400 4.570 4.170 -0.001 0.000 0.280 126 I C -0.969 175.329 176.117 0.301 0.000 1.027 126 I CA -0.798 60.624 61.300 0.205 0.000 1.161 126 I CB 1.319 39.394 38.000 0.124 0.000 1.300 126 I HN 0.468 nan 8.210 nan 0.000 0.463 127 L N 7.369 128.801 121.223 0.348 0.000 2.329 127 L HA 0.575 4.914 4.340 -0.001 0.000 0.279 127 L C -0.888 176.161 176.870 0.298 0.000 1.014 127 L CA -0.057 54.995 54.840 0.355 0.000 0.814 127 L CB 1.184 43.486 42.059 0.405 0.000 1.257 127 L HN 0.500 nan 8.230 nan 0.000 0.424 128 H N 2.662 121.803 119.070 0.118 0.000 2.954 128 H HA 0.530 5.085 4.556 -0.001 0.000 0.361 128 H C -1.580 173.794 175.328 0.076 0.000 1.122 128 H CA -0.102 55.992 56.048 0.076 0.000 1.217 128 H CB 1.884 31.669 29.762 0.039 0.000 1.776 128 H HN 0.788 nan 8.280 nan 0.000 0.533 129 T N 1.185 115.652 114.554 -0.145 0.000 2.930 129 T HA 0.357 4.706 4.350 -0.001 0.000 0.290 129 T C 0.172 174.744 174.700 -0.214 0.000 1.052 129 T CA -1.047 61.014 62.100 -0.065 0.000 1.017 129 T CB 1.665 70.540 68.868 0.010 0.000 1.137 129 T HN 0.703 nan 8.240 nan 0.000 0.511 130 N N 0.020 118.759 118.700 0.065 0.000 2.416 130 N HA 0.249 4.988 4.740 -0.001 0.000 0.267 130 N C -0.202 175.364 175.510 0.093 0.000 1.294 130 N CA -0.261 52.841 53.050 0.088 0.000 0.891 130 N CB 0.388 39.045 38.487 0.283 0.000 1.238 130 N HN 0.567 nan 8.380 nan 0.000 0.508 131 M N 1.901 121.462 119.600 -0.064 0.000 2.219 131 M HA 0.240 4.719 4.480 -0.001 0.000 0.353 131 M C -2.377 173.773 176.300 -0.249 0.000 1.304 131 M CA -1.118 53.911 55.300 -0.451 0.000 1.115 131 M CB 0.754 33.079 32.600 -0.458 0.000 1.664 131 M HN -0.034 nan 8.290 nan 0.000 0.459 132 P HA 0.230 nan 4.420 nan 0.000 0.312 132 P C -0.162 177.149 177.300 0.018 0.000 1.308 132 P CA -0.519 62.632 63.100 0.084 0.000 0.743 132 P CB 0.493 32.243 31.700 0.084 0.000 1.364 133 N N -0.789 118.029 118.700 0.197 0.000 2.191 133 N HA -0.022 4.717 4.740 -0.001 0.000 0.193 133 N C -0.187 175.332 175.510 0.015 0.000 1.053 133 N CA 0.670 53.753 53.050 0.055 0.000 0.943 133 N CB -0.734 37.828 38.487 0.125 0.000 1.119 133 N HN -0.038 nan 8.380 nan 0.000 0.487 134 V N 2.077 122.018 119.914 0.045 0.000 2.557 134 V HA 0.043 4.162 4.120 -0.001 0.000 0.301 134 V C 0.233 176.353 176.094 0.042 0.000 1.026 134 V CA 0.375 62.697 62.300 0.037 0.000 1.137 134 V CB -0.030 31.818 31.823 0.042 0.000 0.917 134 V HN 0.549 nan 8.190 nan 0.000 0.484 135 N N 2.892 121.628 118.700 0.059 0.000 2.710 135 N HA 0.231 4.970 4.740 -0.001 0.000 0.257 135 N C 0.376 175.965 175.510 0.131 0.000 1.327 135 N CA -0.607 52.491 53.050 0.080 0.000 0.861 135 N CB 1.829 40.319 38.487 0.005 0.000 1.532 135 N HN 0.537 nan 8.380 nan 0.000 0.499 136 E N 0.776 121.080 120.200 0.172 0.000 2.008 136 E HA -0.055 4.294 4.350 -0.001 0.000 0.191 136 E C 1.170 177.857 176.600 0.145 0.000 0.986 136 E CA 0.824 57.331 56.400 0.177 0.000 0.807 136 E CB -0.103 29.697 29.700 0.167 0.000 0.766 136 E HN 0.578 nan 8.360 nan 0.000 0.450 137 F N 0.285 120.267 119.950 0.053 0.000 2.269 137 F HA -0.171 4.356 4.527 -0.001 0.000 0.301 137 F C 1.959 177.653 175.800 -0.177 0.000 1.082 137 F CA 0.618 58.563 58.000 -0.092 0.000 1.360 137 F CB 0.255 39.235 39.000 -0.034 0.000 1.041 137 F HN 0.100 nan 8.300 nan 0.000 0.512 138 M N -0.315 119.123 119.600 -0.270 0.000 2.618 138 M HA 0.031 4.510 4.480 -0.001 0.000 0.240 138 M C -0.161 176.189 176.300 0.083 0.000 1.123 138 M CA 0.365 55.519 55.300 -0.243 0.000 1.060 138 M CB -1.322 31.205 32.600 -0.122 0.000 1.535 138 M HN 0.200 nan 8.290 nan 0.000 0.507 139 F N -0.119 119.766 119.950 -0.109 0.000 3.039 139 F HA -0.261 4.265 4.527 -0.001 0.000 0.287 139 F C 0.592 176.406 175.800 0.024 0.000 0.956 139 F CA 0.886 58.875 58.000 -0.018 0.000 0.971 139 F CB -2.897 36.092 39.000 -0.020 0.000 0.943 139 F HN 0.100 nan 8.300 nan 0.000 0.766 140 T N -3.287 111.381 114.554 0.191 0.000 3.111 140 T HA 0.120 4.469 4.350 -0.001 0.000 0.284 140 T C 1.190 175.963 174.700 0.122 0.000 0.983 140 T CA 0.303 62.470 62.100 0.111 0.000 0.900 140 T CB 0.078 68.972 68.868 0.044 0.000 1.132 140 T HN 0.546 nan 8.240 nan 0.000 0.531 141 N N 0.635 119.435 118.700 0.168 0.000 2.322 141 N HA 0.128 4.867 4.740 -0.001 0.000 0.181 141 N C 0.198 175.848 175.510 0.234 0.000 1.088 141 N CA 0.010 53.166 53.050 0.176 0.000 0.885 141 N CB 0.315 38.899 38.487 0.162 0.000 1.013 141 N HN 0.095 nan 8.380 nan 0.000 0.472 142 K N -0.246 120.309 120.400 0.259 0.000 2.318 142 K HA 0.450 4.769 4.320 -0.001 0.000 0.249 142 K C -1.634 175.214 176.600 0.413 0.000 0.942 142 K CA -0.976 55.488 56.287 0.295 0.000 0.808 142 K CB 1.837 34.459 32.500 0.204 0.000 1.189 142 K HN 0.200 nan 8.250 nan 0.000 0.428 143 F N -0.837 119.221 119.950 0.181 0.000 2.654 143 F HA 0.545 5.071 4.527 -0.001 0.000 0.308 143 F C -1.403 174.500 175.800 0.173 0.000 1.108 143 F CA -1.212 56.874 58.000 0.144 0.000 0.957 143 F CB 1.257 40.356 39.000 0.166 0.000 1.309 143 F HN 0.164 nan 8.300 nan 0.000 0.446 144 K N 2.245 122.721 120.400 0.127 0.000 2.123 144 K HA 0.911 5.230 4.320 -0.001 0.000 0.259 144 K C -1.003 175.731 176.600 0.224 0.000 0.960 144 K CA -1.038 55.284 56.287 0.058 0.000 0.872 144 K CB 2.013 34.509 32.500 -0.007 0.000 1.079 144 K HN 0.951 nan 8.250 nan 0.000 0.440 145 A N 1.632 124.684 122.820 0.386 0.000 2.612 145 A HA 0.456 4.775 4.320 -0.001 0.000 0.293 145 A C -1.506 176.142 177.584 0.107 0.000 1.075 145 A CA -0.817 51.449 52.037 0.382 0.000 0.680 145 A CB 1.521 20.670 19.000 0.248 0.000 1.279 145 A HN 0.717 nan 8.150 nan 0.000 0.411 146 R N 1.084 121.301 120.500 -0.472 0.000 2.265 146 R HA 0.635 4.974 4.340 -0.001 0.000 0.319 146 R C -1.274 174.849 176.300 -0.294 0.000 1.006 146 R CA -0.104 55.561 56.100 -0.725 0.000 0.880 146 R CB 0.801 30.233 30.300 -1.448 0.000 1.077 146 R HN 0.567 nan 8.270 nan 0.000 0.454 147 V N 4.921 124.755 119.914 -0.134 0.000 3.074 147 V HA 0.410 4.529 4.120 -0.001 0.000 0.314 147 V C 0.146 176.312 176.094 0.121 0.000 1.117 147 V CA -1.227 61.090 62.300 0.028 0.000 1.014 147 V CB 2.033 33.912 31.823 0.093 0.000 1.057 147 V HN 0.852 nan 8.190 nan 0.000 0.438 148 M N 1.174 120.864 119.600 0.149 0.000 2.249 148 M HA 0.589 5.068 4.480 -0.001 0.000 0.351 148 M C -0.432 175.888 176.300 0.035 0.000 1.180 148 M CA 0.173 55.451 55.300 -0.036 0.000 1.127 148 M CB 1.485 33.918 32.600 -0.277 0.000 1.546 148 M HN 0.283 nan 8.290 nan 0.000 0.461 149 V N 1.251 121.149 119.914 -0.027 0.000 2.806 149 V HA 0.135 4.254 4.120 -0.001 0.000 0.239 149 V C 0.714 176.787 176.094 -0.034 0.000 1.113 149 V CA 0.678 62.993 62.300 0.025 0.000 1.137 149 V CB 1.021 32.863 31.823 0.032 0.000 0.865 149 V HN 0.958 nan 8.190 nan 0.000 0.482 150 S N 0.667 116.310 115.700 -0.094 0.000 2.442 150 S HA 0.574 5.043 4.470 -0.001 0.000 0.297 150 S C -0.228 174.298 174.600 -0.124 0.000 1.131 150 S CA -0.349 57.794 58.200 -0.094 0.000 1.092 150 S CB 1.400 64.547 63.200 -0.088 0.000 0.998 150 S HN 0.372 nan 8.310 nan 0.000 0.478 151 R N 3.145 123.596 120.500 -0.082 0.000 2.278 151 R HA 0.314 4.653 4.340 -0.001 0.000 0.322 151 R C -0.121 176.143 176.300 -0.061 0.000 1.058 151 R CA -0.031 56.023 56.100 -0.076 0.000 0.991 151 R CB -0.082 30.192 30.300 -0.043 0.000 1.140 151 R HN 0.773 nan 8.270 nan 0.000 0.518 152 S N 3.844 119.502 115.700 -0.070 0.000 3.371 152 S HA -0.182 4.287 4.470 -0.001 0.000 0.353 152 S C 0.585 175.163 174.600 -0.037 0.000 0.849 152 S CA 0.623 58.793 58.200 -0.050 0.000 1.356 152 S CB -1.163 62.012 63.200 -0.041 0.000 1.217 152 S HN 0.784 nan 8.310 nan 0.000 0.559 153 L N 2.504 123.706 121.223 -0.035 0.000 2.450 153 L HA -0.026 4.313 4.340 -0.001 0.000 0.224 153 L C 1.628 178.485 176.870 -0.021 0.000 1.149 153 L CA 1.010 55.834 54.840 -0.027 0.000 0.816 153 L CB -0.898 41.146 42.059 -0.025 0.000 0.932 153 L HN 1.035 nan 8.230 nan 0.000 0.449 154 T N -0.990 113.551 114.554 -0.021 0.000 4.141 154 T HA -0.232 4.118 4.350 -0.001 0.000 0.352 154 T C 0.361 175.053 174.700 -0.013 0.000 0.756 154 T CA 0.450 62.541 62.100 -0.017 0.000 1.958 154 T CB -1.432 67.427 68.868 -0.016 0.000 1.848 154 T HN 0.337 nan 8.240 nan 0.000 0.872 155 K N 1.703 122.095 120.400 -0.013 0.000 2.361 155 K HA 0.201 4.521 4.320 -0.001 0.000 0.283 155 K C 0.022 176.618 176.600 -0.007 0.000 1.078 155 K CA 0.280 56.561 56.287 -0.009 0.000 1.041 155 K CB -0.033 32.461 32.500 -0.009 0.000 0.932 155 K HN 0.394 nan 8.250 nan 0.000 0.462 156 D N 3.558 123.954 120.400 -0.006 0.000 2.718 156 D HA -0.157 4.482 4.640 -0.001 0.000 0.242 156 D C -1.107 175.190 176.300 -0.005 0.000 1.123 156 D CA 0.889 54.886 54.000 -0.005 0.000 0.690 156 D CB -1.020 39.777 40.800 -0.004 0.000 1.059 156 D HN 0.699 nan 8.370 nan 0.000 0.429 157 K N -0.577 119.819 120.400 -0.007 0.000 5.230 157 K HA -0.251 4.068 4.320 -0.001 0.000 0.331 157 K C -0.106 176.490 176.600 -0.006 0.000 0.863 157 K CA 1.245 57.528 56.287 -0.007 0.000 1.030 157 K CB -0.514 31.982 32.500 -0.006 0.000 1.845 157 K HN 0.630 nan 8.250 nan 0.000 0.404 158 Q N 0.593 120.388 119.800 -0.008 0.000 2.599 158 Q HA 0.252 4.592 4.340 -0.001 0.000 0.248 158 Q C -1.034 174.960 176.000 -0.010 0.000 0.964 158 Q CA -0.789 55.010 55.803 -0.007 0.000 1.011 158 Q CB 1.445 30.180 28.738 -0.004 0.000 1.592 158 Q HN 0.283 nan 8.270 nan 0.000 0.443 159 V N 1.272 121.179 119.914 -0.011 0.000 2.377 159 V HA 0.351 4.470 4.120 -0.001 0.000 0.254 159 V C -0.104 175.978 176.094 -0.020 0.000 1.060 159 V CA 0.110 62.400 62.300 -0.017 0.000 1.068 159 V CB 0.510 32.323 31.823 -0.017 0.000 1.113 159 V HN 0.740 nan 8.190 nan 0.000 0.484 160 E N 5.573 125.757 120.200 -0.028 0.000 2.173 160 E HA 0.401 4.750 4.350 -0.001 0.000 0.249 160 E C -0.463 176.097 176.600 -0.067 0.000 0.923 160 E CA -0.574 55.806 56.400 -0.034 0.000 0.754 160 E CB 1.331 31.019 29.700 -0.020 0.000 1.177 160 E HN 0.930 nan 8.360 nan 0.000 0.430 161 L N 1.465 122.628 121.223 -0.100 0.000 2.275 161 L HA 0.584 4.923 4.340 -0.001 0.000 0.288 161 L C -0.301 176.377 176.870 -0.320 0.000 1.046 161 L CA -0.769 53.948 54.840 -0.204 0.000 0.805 161 L CB 1.021 42.942 42.059 -0.230 0.000 1.193 161 L HN 0.080 nan 8.230 nan 0.000 0.426 162 K N 3.192 123.397 120.400 -0.325 0.000 2.090 162 K HA 0.539 4.858 4.320 -0.001 0.000 0.249 162 K C -1.387 174.903 176.600 -0.515 0.000 0.995 162 K CA -0.550 55.566 56.287 -0.284 0.000 0.914 162 K CB 1.592 34.021 32.500 -0.119 0.000 1.057 162 K HN 0.538 nan 8.250 nan 0.000 0.462 163 Y N -0.175 120.094 120.300 -0.051 0.000 2.576 163 Y HA 0.366 4.915 4.550 -0.001 0.000 0.346 163 Y C -0.174 175.671 175.900 -0.091 0.000 1.018 163 Y CA -0.775 57.268 58.100 -0.095 0.000 1.050 163 Y CB 2.468 40.838 38.460 -0.150 0.000 1.280 163 Y HN 0.509 nan 8.280 nan 0.000 0.474 164 E N 0.612 120.835 120.200 0.039 0.000 2.375 164 E HA 0.210 4.560 4.350 -0.001 0.000 0.280 164 E C -2.076 174.478 176.600 -0.076 0.000 0.972 164 E CA -0.775 55.626 56.400 0.002 0.000 0.782 164 E CB 1.558 31.268 29.700 0.016 0.000 1.229 164 E HN 0.613 nan 8.360 nan 0.000 0.439 165 W N 2.999 124.264 121.300 -0.059 0.000 2.316 165 W HA 0.395 5.054 4.660 -0.001 0.000 0.311 165 W C -0.161 176.235 176.519 -0.204 0.000 1.217 165 W CA -0.252 57.027 57.345 -0.110 0.000 1.199 165 W CB 1.108 30.515 29.460 -0.089 0.000 1.202 165 W HN 0.192 nan 8.180 nan 0.000 0.528 166 V N 0.077 119.927 119.914 -0.106 0.000 3.007 166 V HA 0.462 4.581 4.120 -0.001 0.000 0.311 166 V C -0.911 174.804 176.094 -0.630 0.000 1.120 166 V CA -1.580 60.465 62.300 -0.425 0.000 0.980 166 V CB 1.897 33.276 31.823 -0.741 0.000 1.033 166 V HN 0.528 nan 8.190 nan 0.000 0.429 167 E N 1.595 121.473 120.200 -0.537 0.000 2.035 167 E HA 0.502 4.851 4.350 -0.001 0.000 0.271 167 E C -1.347 174.974 176.600 -0.464 0.000 0.953 167 E CA -0.544 55.616 56.400 -0.400 0.000 0.777 167 E CB 0.607 30.214 29.700 -0.156 0.000 1.104 167 E HN 0.579 nan 8.360 nan 0.000 0.408 168 F N 1.724 121.481 119.950 -0.323 0.000 2.410 168 F HA 0.271 4.797 4.527 -0.001 0.000 0.334 168 F C 0.854 176.618 175.800 -0.061 0.000 1.134 168 F CA -0.149 57.699 58.000 -0.253 0.000 1.227 168 F CB 1.298 39.939 39.000 -0.597 0.000 1.194 168 F HN 0.167 nan 8.300 nan 0.000 0.571 169 T N 3.188 117.877 114.554 0.226 0.000 2.893 169 T HA 0.678 5.027 4.350 -0.001 0.000 0.291 169 T C -0.567 174.266 174.700 0.221 0.000 1.028 169 T CA -0.744 61.476 62.100 0.200 0.000 0.995 169 T CB 1.522 70.470 68.868 0.134 0.000 1.051 169 T HN 0.315 nan 8.240 nan 0.000 0.470 170 L N 2.842 124.186 121.223 0.201 0.000 2.319 170 L HA 0.558 4.897 4.340 -0.001 0.000 0.267 170 L C -1.895 175.049 176.870 0.123 0.000 1.011 170 L CA -2.393 52.547 54.840 0.168 0.000 0.818 170 L CB 2.098 44.256 42.059 0.166 0.000 1.316 170 L HN 0.433 nan 8.230 nan 0.000 0.432 171 P HA 0.192 nan 4.420 nan 0.000 0.209 171 P C 0.077 177.410 177.300 0.054 0.000 1.843 171 P CA -0.206 62.940 63.100 0.077 0.000 0.985 171 P CB 0.735 32.479 31.700 0.072 0.000 1.904 172 E N 0.854 121.094 120.200 0.067 0.000 3.995 172 E HA -0.353 3.996 4.350 -0.001 0.000 0.245 172 E C 1.780 178.388 176.600 0.014 0.000 1.300 172 E CA 2.515 58.950 56.400 0.058 0.000 2.077 172 E CB -1.870 27.875 29.700 0.076 0.000 1.830 172 E HN 0.457 nan 8.360 nan 0.000 0.271 173 G N 3.141 111.926 108.800 -0.024 0.000 2.556 173 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.220 173 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.220 173 G C 0.688 175.420 174.900 -0.281 0.000 1.156 173 G CA 1.399 46.423 45.100 -0.127 0.000 0.766 173 G HN 0.526 nan 8.290 nan 0.000 0.583 174 N N 0.135 118.730 118.700 -0.175 0.000 2.374 174 N HA 0.135 4.874 4.740 -0.001 0.000 0.241 174 N C -0.760 174.795 175.510 0.074 0.000 1.262 174 N CA 0.529 53.495 53.050 -0.140 0.000 0.880 174 N CB 0.276 38.737 38.487 -0.043 0.000 1.105 174 N HN 0.591 nan 8.380 nan 0.000 0.438 175 Y N -3.008 117.268 120.300 -0.041 0.000 2.681 175 Y HA 0.454 5.004 4.550 -0.001 0.000 0.280 175 Y C -1.134 174.737 175.900 -0.048 0.000 1.079 175 Y CA -1.064 57.005 58.100 -0.052 0.000 1.292 175 Y CB -0.347 38.081 38.460 -0.052 0.000 1.126 175 Y HN 0.390 nan 8.280 nan 0.000 0.553 176 S N 0.765 116.518 115.700 0.088 0.000 2.568 176 S HA 0.320 4.789 4.470 -0.001 0.000 0.293 176 S C 0.905 175.483 174.600 -0.036 0.000 1.089 176 S CA -0.523 57.692 58.200 0.026 0.000 0.945 176 S CB 1.864 65.078 63.200 0.023 0.000 1.077 176 S HN 0.705 nan 8.310 nan 0.000 0.485 177 E N 0.790 120.961 120.200 -0.048 0.000 2.208 177 E HA -0.079 4.270 4.350 -0.001 0.000 0.193 177 E C 1.032 177.575 176.600 -0.094 0.000 0.988 177 E CA 1.510 57.862 56.400 -0.080 0.000 0.828 177 E CB -0.303 29.352 29.700 -0.075 0.000 0.763 177 E HN 0.514 nan 8.360 nan 0.000 0.478 178 T N 1.189 115.697 114.554 -0.077 0.000 2.755 178 T HA -0.048 4.301 4.350 -0.001 0.000 0.251 178 T C 1.788 176.408 174.700 -0.133 0.000 1.044 178 T CA 1.144 63.189 62.100 -0.093 0.000 1.154 178 T CB -0.270 68.555 68.868 -0.071 0.000 0.866 178 T HN 0.216 nan 8.240 nan 0.000 0.416 179 M N 1.263 120.783 119.600 -0.134 0.000 2.374 179 M HA -0.079 4.401 4.480 -0.001 0.000 0.264 179 M C 1.783 177.933 176.300 -0.249 0.000 1.067 179 M CA 1.245 56.410 55.300 -0.225 0.000 1.103 179 M CB -0.525 31.979 32.600 -0.160 0.000 1.402 179 M HN 0.129 nan 8.290 nan 0.000 0.444 180 T N 1.571 116.022 114.554 -0.171 0.000 2.867 180 T HA -0.053 4.296 4.350 -0.001 0.000 0.268 180 T C 1.703 176.264 174.700 -0.231 0.000 1.057 180 T CA 1.033 63.031 62.100 -0.170 0.000 1.136 180 T CB -0.088 68.694 68.868 -0.142 0.000 0.874 180 T HN 0.297 nan 8.240 nan 0.000 0.466 181 I N 1.988 122.416 120.570 -0.238 0.000 2.133 181 I HA -0.087 4.083 4.170 -0.001 0.000 0.238 181 I C 2.096 178.115 176.117 -0.162 0.000 1.074 181 I CA 1.311 62.467 61.300 -0.241 0.000 1.342 181 I CB -1.494 36.412 38.000 -0.157 0.000 1.053 181 I HN 0.173 nan 8.210 nan 0.000 0.404 182 D N 0.793 121.061 120.400 -0.220 0.000 2.158 182 D HA -0.184 4.455 4.640 -0.001 0.000 0.197 182 D C 2.271 178.383 176.300 -0.313 0.000 0.995 182 D CA 0.823 54.639 54.000 -0.306 0.000 0.846 182 D CB -0.195 40.205 40.800 -0.666 0.000 0.941 182 D HN 0.109 nan 8.370 nan 0.000 0.456 183 L N -0.124 120.910 121.223 -0.316 0.000 2.072 183 L HA -0.014 4.325 4.340 -0.001 0.000 0.205 183 L C 2.183 179.086 176.870 0.055 0.000 1.079 183 L CA 1.271 56.036 54.840 -0.125 0.000 0.752 183 L CB -0.754 41.241 42.059 -0.106 0.000 0.906 183 L HN 0.184 nan 8.230 nan 0.000 0.436 184 M N -0.826 118.799 119.600 0.043 0.000 2.086 184 M HA -0.218 4.262 4.480 -0.001 0.000 0.261 184 M C 1.932 178.401 176.300 0.282 0.000 1.067 184 M CA 1.486 56.916 55.300 0.216 0.000 1.116 184 M CB -0.563 32.005 32.600 -0.053 0.000 1.348 184 M HN 0.181 nan 8.290 nan 0.000 0.407 185 N N 0.877 119.718 118.700 0.235 0.000 2.094 185 N HA -0.190 4.549 4.740 -0.001 0.000 0.191 185 N C 1.395 176.983 175.510 0.129 0.000 1.023 185 N CA 1.547 54.699 53.050 0.170 0.000 0.857 185 N CB -0.640 37.929 38.487 0.137 0.000 1.013 185 N HN 0.357 nan 8.380 nan 0.000 0.426 186 N N 0.505 119.305 118.700 0.166 0.000 2.069 186 N HA -0.094 4.645 4.740 -0.001 0.000 0.191 186 N C 1.147 176.767 175.510 0.182 0.000 1.031 186 N CA 1.767 54.940 53.050 0.204 0.000 0.852 186 N CB -0.332 38.364 38.487 0.348 0.000 1.018 186 N HN 0.208 nan 8.380 nan 0.000 0.423 187 A N -0.723 122.214 122.820 0.195 0.000 2.238 187 A HA 0.228 4.547 4.320 -0.001 0.000 0.208 187 A C 1.988 179.684 177.584 0.186 0.000 1.177 187 A CA 0.012 52.187 52.037 0.230 0.000 0.804 187 A CB -0.459 18.710 19.000 0.281 0.000 0.823 187 A HN 0.396 nan 8.150 nan 0.000 0.482 188 I N -1.266 119.313 120.570 0.015 0.000 2.500 188 I HA -0.123 4.046 4.170 -0.001 0.000 0.252 188 I C 2.128 178.384 176.117 0.233 0.000 1.142 188 I CA 0.724 62.001 61.300 -0.038 0.000 1.451 188 I CB 0.152 38.077 38.000 -0.125 0.000 1.093 188 I HN 0.170 nan 8.210 nan 0.000 0.430 189 V N 0.077 120.101 119.914 0.184 0.000 2.500 189 V HA -0.131 3.989 4.120 -0.001 0.000 0.243 189 V C 2.182 178.418 176.094 0.238 0.000 1.039 189 V CA 1.321 63.736 62.300 0.191 0.000 1.053 189 V CB -0.369 31.494 31.823 0.068 0.000 0.695 189 V HN 0.336 nan 8.190 nan 0.000 0.463 190 E N -0.470 119.851 120.200 0.202 0.000 2.267 190 E HA -0.288 4.061 4.350 -0.001 0.000 0.197 190 E C 1.960 178.652 176.600 0.154 0.000 0.998 190 E CA 1.487 57.986 56.400 0.166 0.000 0.830 190 E CB -0.108 29.691 29.700 0.164 0.000 0.751 190 E HN 0.768 nan 8.360 nan 0.000 0.491 191 H N -0.314 118.894 119.070 0.231 0.000 2.317 191 H HA -0.153 4.402 4.556 -0.001 0.000 0.304 191 H C 1.960 177.416 175.328 0.214 0.000 1.067 191 H CA 1.679 57.858 56.048 0.219 0.000 1.352 191 H CB -0.469 29.492 29.762 0.332 0.000 1.398 191 H HN 0.181 nan 8.280 nan 0.000 0.510 192 Y N 1.202 121.411 120.300 -0.152 0.000 2.139 192 Y HA -0.243 4.306 4.550 -0.001 0.000 0.282 192 Y C 1.952 177.797 175.900 -0.092 0.000 1.179 192 Y CA 2.068 60.118 58.100 -0.082 0.000 1.161 192 Y CB -0.437 38.082 38.460 0.098 0.000 0.970 192 Y HN 0.272 nan 8.280 nan 0.000 0.511 193 L N 0.158 121.391 121.223 0.015 0.000 2.456 193 L HA -0.145 4.195 4.340 -0.001 0.000 0.224 193 L C 2.379 179.170 176.870 -0.131 0.000 1.148 193 L CA 1.058 55.849 54.840 -0.082 0.000 0.825 193 L CB -0.525 41.559 42.059 0.042 0.000 0.937 193 L HN 0.172 nan 8.230 nan 0.000 0.450 194 K N -0.598 119.702 120.400 -0.167 0.000 2.313 194 K HA 0.097 4.416 4.320 -0.001 0.000 0.197 194 K C 1.524 178.014 176.600 -0.183 0.000 1.061 194 K CA 0.649 56.846 56.287 -0.150 0.000 0.980 194 K CB 0.901 33.333 32.500 -0.113 0.000 0.888 194 K HN 0.106 nan 8.250 nan 0.000 0.502 195 V N -1.420 118.328 119.914 -0.276 0.000 3.193 195 V HA 0.091 4.210 4.120 -0.001 0.000 0.237 195 V C 1.786 177.772 176.094 -0.180 0.000 1.447 195 V CA 0.996 63.179 62.300 -0.195 0.000 1.227 195 V CB 0.798 32.559 31.823 -0.102 0.000 1.040 195 V HN 0.297 nan 8.190 nan 0.000 0.458 196 G N 1.920 110.585 108.800 -0.225 0.000 2.511 196 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 196 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 196 G C 1.415 176.149 174.900 -0.277 0.000 1.218 196 G CA 1.358 46.379 45.100 -0.133 0.000 0.788 196 G HN 0.610 nan 8.290 nan 0.000 0.560 197 R N -0.278 119.827 120.500 -0.657 0.000 2.120 197 R HA -0.001 4.338 4.340 -0.001 0.000 0.234 197 R C 2.284 178.441 176.300 -0.238 0.000 1.123 197 R CA 1.395 57.199 56.100 -0.493 0.000 0.975 197 R CB -0.463 29.449 30.300 -0.647 0.000 0.866 197 R HN 0.247 nan 8.270 nan 0.000 0.446 198 Q N 0.852 120.520 119.800 -0.220 0.000 2.224 198 Q HA -0.022 4.317 4.340 -0.001 0.000 0.203 198 Q C 0.712 176.655 176.000 -0.095 0.000 0.970 198 Q CA 0.968 56.690 55.803 -0.134 0.000 0.865 198 Q CB -0.217 28.446 28.738 -0.124 0.000 0.922 198 Q HN 0.491 nan 8.270 nan 0.000 0.445 199 N N -0.823 117.820 118.700 -0.095 0.000 2.380 199 N HA 0.164 4.903 4.740 -0.001 0.000 0.255 199 N C 0.240 175.715 175.510 -0.058 0.000 1.158 199 N CA 0.596 53.608 53.050 -0.065 0.000 0.878 199 N CB 1.281 39.737 38.487 -0.052 0.000 1.138 199 N HN 0.373 nan 8.380 nan 0.000 0.509 200 G N -0.291 108.471 108.800 -0.062 0.000 2.213 200 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.226 200 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.226 200 G C 0.127 175.017 174.900 -0.018 0.000 0.992 200 G CA -0.274 44.801 45.100 -0.041 0.000 0.632 200 G HN 0.178 nan 8.290 nan 0.000 0.511 201 V N 2.588 122.498 119.914 -0.007 0.000 2.521 201 V HA 0.414 4.533 4.120 -0.001 0.000 0.286 201 V C 1.348 177.565 176.094 0.205 0.000 1.034 201 V CA -0.087 62.265 62.300 0.086 0.000 1.045 201 V CB 1.291 33.202 31.823 0.146 0.000 0.974 201 V HN 0.384 nan 8.190 nan 0.000 0.480 202 L N 3.774 125.093 121.223 0.161 0.000 2.453 202 L HA 0.221 4.561 4.340 -0.001 0.000 0.261 202 L C 1.644 178.620 176.870 0.177 0.000 1.179 202 L CA 0.008 54.943 54.840 0.158 0.000 0.813 202 L CB 0.600 42.694 42.059 0.058 0.000 1.110 202 L HN 0.700 nan 8.230 nan 0.000 0.466 203 E N 0.130 120.394 120.200 0.106 0.000 2.150 203 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 203 E C 1.762 178.188 176.600 -0.290 0.000 0.985 203 E CA 1.351 57.654 56.400 -0.161 0.000 0.814 203 E CB 0.161 29.785 29.700 -0.125 0.000 0.752 203 E HN 0.731 nan 8.360 nan 0.000 0.466 204 S N 0.103 115.727 115.700 -0.127 0.000 2.607 204 S HA -0.037 4.432 4.470 -0.001 0.000 0.224 204 S C 0.683 175.264 174.600 -0.032 0.000 0.969 204 S CA 0.363 58.519 58.200 -0.073 0.000 0.927 204 S CB 0.211 63.397 63.200 -0.024 0.000 0.772 204 S HN 0.048 nan 8.310 nan 0.000 0.533 205 D N 1.070 121.447 120.400 -0.038 0.000 2.892 205 D HA 0.271 4.910 4.640 -0.001 0.000 0.291 205 D C 0.646 176.943 176.300 -0.005 0.000 1.341 205 D CA -0.244 53.755 54.000 -0.002 0.000 0.844 205 D CB 0.473 41.284 40.800 0.018 0.000 1.093 205 D HN 0.275 nan 8.370 nan 0.000 0.480 206 I N 0.646 121.188 120.570 -0.047 0.000 2.163 206 I HA -0.082 4.087 4.170 -0.001 0.000 0.240 206 I C 1.979 178.077 176.117 -0.032 0.000 1.081 206 I CA 1.764 63.002 61.300 -0.103 0.000 1.353 206 I CB -0.622 37.270 38.000 -0.181 0.000 1.054 206 I HN 0.367 nan 8.210 nan 0.000 0.407 207 G N 0.258 109.041 108.800 -0.028 0.000 3.110 207 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.238 207 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.238 207 G C 0.079 174.881 174.900 -0.163 0.000 1.647 207 G CA 0.005 45.065 45.100 -0.068 0.000 1.146 207 G HN 0.359 nan 8.290 nan 0.000 0.545 208 V N 0.075 119.881 119.914 -0.181 0.000 2.470 208 V HA 0.701 4.820 4.120 -0.001 0.000 0.276 208 V C 0.227 176.101 176.094 -0.367 0.000 1.040 208 V CA 0.114 62.239 62.300 -0.292 0.000 1.008 208 V CB 1.270 32.917 31.823 -0.294 0.000 0.990 208 V HN 0.784 nan 8.190 nan 0.000 0.477 209 K N 4.737 124.873 120.400 -0.439 0.000 2.535 209 K HA 0.473 4.792 4.320 -0.001 0.000 0.251 209 K C -1.807 174.569 176.600 -0.373 0.000 0.942 209 K CA -0.566 55.493 56.287 -0.379 0.000 0.798 209 K CB 2.046 34.393 32.500 -0.255 0.000 1.267 209 K HN 0.650 nan 8.250 nan 0.000 0.434 210 F N 3.041 122.968 119.950 -0.038 0.000 2.313 210 F HA 0.244 4.770 4.527 -0.001 0.000 0.369 210 F C 1.024 176.809 175.800 -0.025 0.000 1.109 210 F CA -0.575 57.407 58.000 -0.030 0.000 1.132 210 F CB 0.892 39.853 39.000 -0.065 0.000 1.291 210 F HN 0.321 nan 8.300 nan 0.000 0.496 211 D N 0.742 121.232 120.400 0.149 0.000 2.549 211 D HA 0.254 4.894 4.640 -0.001 0.000 0.270 211 D C 0.753 177.088 176.300 0.059 0.000 1.181 211 D CA 0.005 54.064 54.000 0.099 0.000 1.070 211 D CB 2.159 43.047 40.800 0.146 0.000 1.154 211 D HN 0.508 nan 8.370 nan 0.000 0.602 212 T N -2.667 111.866 114.554 -0.035 0.000 3.087 212 T HA 0.150 4.500 4.350 -0.001 0.000 0.283 212 T C 0.577 175.137 174.700 -0.233 0.000 0.956 212 T CA -0.441 61.592 62.100 -0.111 0.000 0.894 212 T CB 0.369 69.163 68.868 -0.124 0.000 1.160 212 T HN 0.452 nan 8.240 nan 0.000 0.532 213 R N 1.084 121.403 120.500 -0.302 0.000 2.643 213 R HA 0.519 4.859 4.340 -0.001 0.000 0.272 213 R C -0.544 175.391 176.300 -0.608 0.000 0.995 213 R CA -0.851 55.030 56.100 -0.365 0.000 1.032 213 R CB 0.462 30.539 30.300 -0.372 0.000 1.126 213 R HN 0.016 nan 8.270 nan 0.000 0.505 214 N N 1.844 120.307 118.700 -0.395 0.000 2.420 214 N HA 0.003 4.742 4.740 -0.001 0.000 0.262 214 N C -0.252 174.938 175.510 -0.533 0.000 1.144 214 N CA -0.009 52.760 53.050 -0.468 0.000 0.952 214 N CB 0.325 38.449 38.487 -0.604 0.000 1.081 214 N HN 0.603 nan 8.380 nan 0.000 0.480 215 F N 2.402 122.267 119.950 -0.142 0.000 2.179 215 F HA 0.154 4.680 4.527 -0.001 0.000 0.292 215 F C 2.263 177.993 175.800 -0.117 0.000 1.089 215 F CA 0.420 58.280 58.000 -0.234 0.000 1.295 215 F CB 0.096 38.868 39.000 -0.379 0.000 1.041 215 F HN 0.427 nan 8.300 nan 0.000 0.487 216 R N 0.655 121.073 120.500 -0.136 0.000 2.366 216 R HA -0.016 4.324 4.340 -0.001 0.000 0.201 216 R C -0.455 175.774 176.300 -0.117 0.000 1.057 216 R CA -0.065 55.850 56.100 -0.309 0.000 1.086 216 R CB -0.608 29.113 30.300 -0.964 0.000 0.914 216 R HN 0.078 nan 8.270 nan 0.000 0.476 217 L N -0.487 120.719 121.223 -0.028 0.000 2.265 217 L HA 0.316 4.656 4.340 -0.001 0.000 0.288 217 L C 0.956 177.896 176.870 0.118 0.000 1.058 217 L CA 0.953 55.805 54.840 0.019 0.000 0.809 217 L CB 1.624 43.637 42.059 -0.077 0.000 1.179 217 L HN 0.311 nan 8.230 nan 0.000 0.429 218 G N 3.682 112.562 108.800 0.132 0.000 2.259 218 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.217 218 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.217 218 G C 0.335 175.342 174.900 0.179 0.000 1.001 218 G CA -0.007 45.176 45.100 0.139 0.000 0.627 218 G HN 0.536 nan 8.290 nan 0.000 0.501 219 F N 3.103 123.079 119.950 0.043 0.000 2.629 219 F HA 0.435 4.961 4.527 -0.001 0.000 0.377 219 F C 0.363 176.172 175.800 0.015 0.000 1.101 219 F CA 0.441 58.462 58.000 0.035 0.000 1.301 219 F CB 0.614 39.635 39.000 0.035 0.000 1.062 219 F HN 0.114 nan 8.300 nan 0.000 0.583 220 D N 8.166 128.365 120.400 -0.334 0.000 2.278 220 D HA 0.237 4.877 4.640 -0.001 0.000 0.245 220 D C -1.903 173.945 176.300 -0.752 0.000 1.052 220 D CA -1.894 51.881 54.000 -0.374 0.000 0.834 220 D CB 2.339 42.988 40.800 -0.253 0.000 1.194 220 D HN 0.263 nan 8.370 nan 0.000 0.481 221 P HA -0.054 nan 4.420 nan 0.000 0.229 221 P C 1.266 178.412 177.300 -0.258 0.000 1.160 221 P CA 0.497 63.425 63.100 -0.287 0.000 0.777 221 P CB 0.506 32.203 31.700 -0.006 0.000 0.814 222 V N -1.401 118.370 119.914 -0.239 0.000 3.125 222 V HA -0.020 4.100 4.120 -0.001 0.000 0.249 222 V C 2.257 178.225 176.094 -0.211 0.000 1.113 222 V CA 1.544 63.737 62.300 -0.177 0.000 1.106 222 V CB -1.805 29.946 31.823 -0.121 0.000 0.768 222 V HN 0.074 nan 8.190 nan 0.000 0.468 223 T N 0.530 114.916 114.554 -0.281 0.000 2.942 223 T HA 0.163 4.512 4.350 -0.001 0.000 0.265 223 T C 1.734 176.257 174.700 -0.294 0.000 1.062 223 T CA 1.341 63.283 62.100 -0.264 0.000 1.139 223 T CB -0.298 68.413 68.868 -0.262 0.000 0.883 223 T HN 0.874 nan 8.240 nan 0.000 0.468 224 G N 1.143 109.663 108.800 -0.466 0.000 2.155 224 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.257 224 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.257 224 G C -0.071 174.697 174.900 -0.221 0.000 0.983 224 G CA 0.254 45.110 45.100 -0.407 0.000 0.676 224 G HN 0.523 nan 8.290 nan 0.000 0.528 225 L N -1.032 120.012 121.223 -0.299 0.000 2.415 225 L HA 0.608 4.947 4.340 -0.001 0.000 0.256 225 L C 0.319 177.190 176.870 0.000 0.000 1.010 225 L CA -1.531 53.291 54.840 -0.031 0.000 0.826 225 L CB 2.219 44.236 42.059 -0.071 0.000 1.405 225 L HN -0.114 nan 8.230 nan 0.000 0.410 226 V N 2.428 122.415 119.914 0.121 0.000 2.439 226 V HA 0.036 4.155 4.120 -0.001 0.000 0.271 226 V C 1.151 177.239 176.094 -0.009 0.000 1.040 226 V CA -0.208 62.155 62.300 0.105 0.000 1.002 226 V CB 1.097 32.992 31.823 0.120 0.000 1.000 226 V HN 0.720 nan 8.190 nan 0.000 0.477 227 M N 6.292 125.877 119.600 -0.024 0.000 2.175 227 M HA 0.023 4.503 4.480 -0.001 0.000 0.264 227 M C -0.288 175.980 176.300 -0.055 0.000 1.063 227 M CA 1.323 56.577 55.300 -0.077 0.000 1.119 227 M CB -1.527 31.018 32.600 -0.092 0.000 1.377 227 M HN 0.488 nan 8.290 nan 0.000 0.415 228 P HA 0.301 nan 4.420 nan 0.000 0.259 228 P C 0.689 177.986 177.300 -0.005 0.000 1.530 228 P CA 0.530 63.630 63.100 -0.000 0.000 1.022 228 P CB -0.150 31.565 31.700 0.024 0.000 1.514 229 G N -0.298 108.481 108.800 -0.035 0.000 2.205 229 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.269 229 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.269 229 G C 0.052 174.910 174.900 -0.070 0.000 0.977 229 G CA 0.357 45.426 45.100 -0.052 0.000 0.652 229 G HN 0.413 nan 8.290 nan 0.000 0.539 230 V N -0.011 119.868 119.914 -0.058 0.000 2.623 230 V HA 0.463 4.582 4.120 -0.001 0.000 0.304 230 V C -0.071 176.043 176.094 0.034 0.000 1.054 230 V CA -1.516 60.775 62.300 -0.016 0.000 0.882 230 V CB 1.535 33.389 31.823 0.051 0.000 1.002 230 V HN 0.245 nan 8.190 nan 0.000 0.424 231 Y N 1.695 122.077 120.300 0.138 0.000 2.544 231 Y HA 0.078 4.628 4.550 -0.001 0.000 0.330 231 Y C 1.553 177.478 175.900 0.042 0.000 1.136 231 Y CA -0.068 58.106 58.100 0.123 0.000 1.417 231 Y CB 0.492 39.099 38.460 0.244 0.000 1.229 231 Y HN 0.634 nan 8.280 nan 0.000 0.532 232 T N 3.269 117.936 114.554 0.188 0.000 2.758 232 T HA -0.142 4.207 4.350 -0.001 0.000 0.249 232 T C 0.573 175.320 174.700 0.078 0.000 1.011 232 T CA 0.018 62.188 62.100 0.117 0.000 1.301 232 T CB -0.770 68.171 68.868 0.121 0.000 0.992 232 T HN 0.518 nan 8.240 nan 0.000 0.549 233 N N 3.162 121.897 118.700 0.060 0.000 3.117 233 N HA 0.050 4.789 4.740 -0.001 0.000 0.323 233 N C -0.126 175.361 175.510 -0.038 0.000 1.245 233 N CA -0.049 53.008 53.050 0.011 0.000 1.191 233 N CB 0.151 38.657 38.487 0.032 0.000 1.451 233 N HN 0.589 nan 8.380 nan 0.000 0.555 234 E N 0.352 120.520 120.200 -0.053 0.000 2.218 234 E HA 0.514 4.863 4.350 -0.001 0.000 0.263 234 E C -0.959 175.393 176.600 -0.413 0.000 0.879 234 E CA -0.902 55.376 56.400 -0.202 0.000 0.762 234 E CB 1.252 30.862 29.700 -0.149 0.000 1.166 234 E HN 0.348 nan 8.360 nan 0.000 0.415 235 A N 4.034 126.557 122.820 -0.496 0.000 2.511 235 A HA 0.254 4.574 4.320 -0.001 0.000 0.242 235 A C -0.499 176.425 177.584 -1.100 0.000 1.069 235 A CA 0.252 51.948 52.037 -0.570 0.000 0.763 235 A CB -0.108 18.639 19.000 -0.422 0.000 1.001 235 A HN 0.699 nan 8.150 nan 0.000 0.498 236 F N 2.640 122.242 119.950 -0.580 0.000 2.879 236 F HA 0.264 4.790 4.527 -0.001 0.000 0.354 236 F C 1.098 176.598 175.800 -0.500 0.000 1.291 236 F CA 0.244 57.861 58.000 -0.637 0.000 1.238 236 F CB -0.125 38.599 39.000 -0.460 0.000 1.005 236 F HN 0.903 nan 8.300 nan 0.000 0.508 237 H N -2.220 116.810 119.070 -0.066 0.000 1.562 237 H HA -0.198 4.357 4.556 -0.001 0.000 0.090 237 H C -2.059 173.282 175.328 0.022 0.000 0.613 237 H CA 0.750 56.789 56.048 -0.014 0.000 1.889 237 H CB -2.450 27.326 29.762 0.024 0.000 2.240 237 H HN 0.041 nan 8.280 nan 0.000 0.959 238 P HA 0.162 nan 4.420 nan 0.000 0.274 238 P C -0.850 176.584 177.300 0.222 0.000 1.291 238 P CA 0.132 63.359 63.100 0.211 0.000 0.815 238 P CB 0.045 31.931 31.700 0.311 0.000 0.897 239 D N 3.800 124.254 120.400 0.090 0.000 2.586 239 D HA -0.062 4.577 4.640 -0.001 0.000 0.234 239 D C 0.840 177.273 176.300 0.221 0.000 1.132 239 D CA 0.516 54.563 54.000 0.079 0.000 0.860 239 D CB -0.013 40.791 40.800 0.007 0.000 1.159 239 D HN 0.279 nan 8.370 nan 0.000 0.490 240 I N 1.117 121.842 120.570 0.258 0.000 3.138 240 I HA 0.158 4.327 4.170 -0.001 0.000 0.288 240 I C 0.603 176.921 176.117 0.334 0.000 1.148 240 I CA -0.580 60.963 61.300 0.404 0.000 1.315 240 I CB 0.293 38.484 38.000 0.319 0.000 1.426 240 I HN 0.219 nan 8.210 nan 0.000 0.615 241 I N 3.905 124.686 120.570 0.351 0.000 2.389 241 I HA 0.361 4.531 4.170 -0.001 0.000 0.288 241 I C -0.859 175.310 176.117 0.087 0.000 0.999 241 I CA -0.531 60.867 61.300 0.162 0.000 1.129 241 I CB 1.314 39.405 38.000 0.153 0.000 1.288 241 I HN 0.276 nan 8.210 nan 0.000 0.444 242 L N 7.746 128.927 121.223 -0.070 0.000 2.307 242 L HA 0.680 5.019 4.340 -0.001 0.000 0.284 242 L C -0.649 176.116 176.870 -0.176 0.000 1.023 242 L CA -0.300 54.461 54.840 -0.132 0.000 0.810 242 L CB 1.371 43.273 42.059 -0.261 0.000 1.231 242 L HN 0.458 nan 8.230 nan 0.000 0.423 243 L N 3.592 124.751 121.223 -0.107 0.000 2.513 243 L HA 0.729 5.068 4.340 -0.001 0.000 0.261 243 L C -2.862 173.815 176.870 -0.322 0.000 0.945 243 L CA -1.465 53.273 54.840 -0.169 0.000 0.848 243 L CB 2.533 44.502 42.059 -0.151 0.000 1.334 243 L HN 0.283 nan 8.230 nan 0.000 0.407 244 P HA 0.325 nan 4.420 nan 0.000 0.308 244 P C 0.509 177.258 177.300 -0.918 0.000 1.497 244 P CA -0.221 62.230 63.100 -1.081 0.000 1.101 244 P CB 2.149 33.580 31.700 -0.448 0.000 1.095 245 G N 2.490 110.526 108.800 -1.273 0.000 2.302 245 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.263 245 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.263 245 G C 0.453 174.886 174.900 -0.778 0.000 0.995 245 G CA 0.757 45.464 45.100 -0.656 0.000 0.622 245 G HN 0.808 nan 8.290 nan 0.000 0.538 246 C N -1.948 116.982 119.300 -0.616 0.000 3.462 246 C HA 1.110 5.569 4.460 -0.001 0.000 0.298 246 C C 1.035 175.804 174.990 -0.369 0.000 3.205 246 C CA 0.030 58.720 59.018 -0.547 0.000 1.845 246 C CB 1.331 28.821 27.740 -0.417 0.000 3.397 246 C HN 2.176 nan 8.230 nan 0.000 0.473 247 G N -1.096 107.483 108.800 -0.369 0.000 2.322 247 G HA2 0.597 4.556 3.960 -0.001 0.000 0.295 247 G HA3 0.597 4.556 3.960 -0.001 0.000 0.295 247 G C -1.200 173.649 174.900 -0.085 0.000 1.369 247 G CA 0.161 45.153 45.100 -0.180 0.000 0.821 247 G HN 1.893 nan 8.290 nan 0.000 0.536 248 V N -2.242 117.709 119.914 0.062 0.000 3.177 248 V HA 0.932 5.051 4.120 -0.001 0.000 0.319 248 V C -0.690 175.448 176.094 0.074 0.000 1.125 248 V CA -0.705 61.636 62.300 0.068 0.000 1.029 248 V CB 2.134 33.894 31.823 -0.106 0.000 1.119 248 V HN 0.986 nan 8.190 nan 0.000 0.452 249 D N -0.260 119.994 120.400 -0.243 0.000 2.688 249 D HA 0.291 4.930 4.640 -0.001 0.000 0.210 249 D C -1.587 174.440 176.300 -0.454 0.000 1.333 249 D CA -0.265 53.556 54.000 -0.298 0.000 0.920 249 D CB 1.619 42.219 40.800 -0.332 0.000 1.554 249 D HN 0.480 nan 8.370 nan 0.000 0.579 250 F N 2.481 122.425 119.950 -0.011 0.000 2.850 250 F HA 0.155 4.681 4.527 -0.001 0.000 0.306 250 F C 2.198 178.038 175.800 0.067 0.000 1.162 250 F CA -0.339 57.696 58.000 0.059 0.000 1.327 250 F CB 1.087 40.123 39.000 0.061 0.000 0.953 250 F HN 0.303 nan 8.300 nan 0.000 0.507 251 T N -0.754 113.832 114.554 0.053 0.000 2.929 251 T HA -0.151 4.199 4.350 -0.001 0.000 0.271 251 T C 0.719 175.380 174.700 -0.065 0.000 1.085 251 T CA 1.477 63.547 62.100 -0.050 0.000 1.125 251 T CB -0.271 68.451 68.868 -0.243 0.000 0.874 251 T HN 0.246 nan 8.240 nan 0.000 0.494 252 H N 0.013 119.042 119.070 -0.069 0.000 2.716 252 H HA 0.583 5.138 4.556 -0.001 0.000 0.230 252 H C -0.763 174.407 175.328 -0.263 0.000 1.401 252 H CA -0.522 55.369 56.048 -0.261 0.000 1.168 252 H CB 0.157 29.721 29.762 -0.330 0.000 1.935 252 H HN 0.081 nan 8.280 nan 0.000 0.538 253 S N -0.145 115.586 115.700 0.052 0.000 2.541 253 S HA 0.436 4.905 4.470 -0.001 0.000 0.271 253 S C 0.629 175.284 174.600 0.092 0.000 1.133 253 S CA -0.625 57.641 58.200 0.110 0.000 0.876 253 S CB 1.619 65.026 63.200 0.345 0.000 1.105 253 S HN 0.457 nan 8.310 nan 0.000 0.470 254 R N 2.073 122.602 120.500 0.048 0.000 2.362 254 R HA 0.339 4.679 4.340 -0.001 0.000 0.227 254 R C 1.318 177.562 176.300 -0.093 0.000 0.905 254 R CA 0.065 56.158 56.100 -0.011 0.000 1.067 254 R CB -0.045 30.256 30.300 0.002 0.000 1.078 254 R HN 0.556 nan 8.270 nan 0.000 0.516 255 L N 0.668 121.832 121.223 -0.099 0.000 2.265 255 L HA -0.173 4.167 4.340 -0.001 0.000 0.215 255 L C 2.286 178.821 176.870 -0.559 0.000 1.117 255 L CA 1.392 56.078 54.840 -0.256 0.000 0.782 255 L CB -0.256 41.701 42.059 -0.170 0.000 0.914 255 L HN 0.250 nan 8.230 nan 0.000 0.441 256 S N -1.066 114.215 115.700 -0.698 0.000 2.442 256 S HA -0.172 4.297 4.470 -0.001 0.000 0.236 256 S C 1.702 176.062 174.600 -0.400 0.000 1.007 256 S CA 1.082 58.802 58.200 -0.801 0.000 0.965 256 S CB -0.434 62.507 63.200 -0.432 0.000 0.773 256 S HN 0.493 nan 8.310 nan 0.000 0.504 257 N N 1.039 119.569 118.700 -0.284 0.000 2.216 257 N HA 0.021 4.760 4.740 -0.001 0.000 0.183 257 N C 1.642 177.021 175.510 -0.218 0.000 1.017 257 N CA 0.887 53.809 53.050 -0.214 0.000 0.861 257 N CB -0.333 38.058 38.487 -0.160 0.000 0.986 257 N HN 0.280 nan 8.380 nan 0.000 0.428 258 L N 2.022 123.095 121.223 -0.251 0.000 2.083 258 L HA -0.043 4.296 4.340 -0.001 0.000 0.209 258 L C 2.019 178.737 176.870 -0.252 0.000 1.083 258 L CA 1.279 55.978 54.840 -0.234 0.000 0.752 258 L CB -1.064 40.848 42.059 -0.246 0.000 0.899 258 L HN 0.153 nan 8.230 nan 0.000 0.433 259 L N -0.522 120.497 121.223 -0.340 0.000 2.291 259 L HA 0.043 4.382 4.340 -0.001 0.000 0.214 259 L C 1.453 178.187 176.870 -0.226 0.000 1.120 259 L CA 0.746 55.398 54.840 -0.312 0.000 0.799 259 L CB -0.827 40.974 42.059 -0.430 0.000 0.925 259 L HN 0.533 nan 8.230 nan 0.000 0.446 260 G N 1.340 110.004 108.800 -0.226 0.000 2.212 260 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.255 260 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.255 260 G C -0.189 174.575 174.900 -0.226 0.000 1.062 260 G CA -0.095 44.906 45.100 -0.165 0.000 0.815 260 G HN 0.313 nan 8.290 nan 0.000 0.497 261 I N -0.209 120.169 120.570 -0.320 0.000 2.436 261 I HA 0.680 4.850 4.170 -0.001 0.000 0.289 261 I C 0.233 176.276 176.117 -0.124 0.000 1.010 261 I CA -0.942 60.123 61.300 -0.392 0.000 1.098 261 I CB 2.048 39.591 38.000 -0.761 0.000 1.266 261 I HN 0.187 nan 8.210 nan 0.000 0.434 262 R N 5.289 125.718 120.500 -0.118 0.000 2.604 262 R HA 0.382 4.722 4.340 -0.001 0.000 0.281 262 R C -1.163 174.942 176.300 -0.324 0.000 1.020 262 R CA -0.938 54.985 56.100 -0.296 0.000 0.899 262 R CB 2.102 32.261 30.300 -0.235 0.000 1.205 262 R HN 0.594 nan 8.270 nan 0.000 0.450 263 K N 2.577 122.561 120.400 -0.694 0.000 2.472 263 K HA -0.031 4.288 4.320 -0.001 0.000 0.280 263 K C 1.090 177.520 176.600 -0.283 0.000 1.028 263 K CA 0.362 56.366 56.287 -0.471 0.000 1.045 263 K CB 0.652 32.787 32.500 -0.607 0.000 0.902 263 K HN 0.530 nan 8.250 nan 0.000 0.478 264 R N 1.954 122.353 120.500 -0.169 0.000 2.189 264 R HA -0.134 4.205 4.340 -0.001 0.000 0.223 264 R C 0.026 176.235 176.300 -0.153 0.000 1.092 264 R CA 1.401 57.434 56.100 -0.111 0.000 0.989 264 R CB 0.169 30.452 30.300 -0.028 0.000 0.876 264 R HN 0.628 nan 8.270 nan 0.000 0.457 265 Q N -0.561 119.115 119.800 -0.206 0.000 2.607 265 Q HA 0.285 4.624 4.340 -0.001 0.000 0.247 265 Q C -2.360 173.492 176.000 -0.248 0.000 1.033 265 Q CA -1.831 53.859 55.803 -0.188 0.000 0.769 265 Q CB 1.733 30.390 28.738 -0.135 0.000 1.169 265 Q HN -0.047 nan 8.270 nan 0.000 0.508 266 P HA 0.094 nan 4.420 nan 0.000 0.257 266 P C -0.275 176.753 177.300 -0.452 0.000 1.281 266 P CA 0.122 62.958 63.100 -0.440 0.000 0.826 266 P CB 0.037 31.435 31.700 -0.503 0.000 1.237 267 F N -0.181 119.714 119.950 -0.092 0.000 2.743 267 F HA 0.115 4.641 4.527 -0.001 0.000 0.297 267 F C 1.457 177.228 175.800 -0.048 0.000 1.131 267 F CA -0.312 57.654 58.000 -0.057 0.000 1.426 267 F CB 0.045 39.021 39.000 -0.039 0.000 1.116 267 F HN -0.102 nan 8.300 nan 0.000 0.583 268 Q N 2.408 122.234 119.800 0.042 0.000 2.359 268 Q HA -0.020 4.319 4.340 -0.001 0.000 0.249 268 Q C -0.017 175.992 176.000 0.015 0.000 1.181 268 Q CA 0.002 55.814 55.803 0.015 0.000 0.897 268 Q CB 0.038 28.747 28.738 -0.048 0.000 1.424 268 Q HN 0.238 nan 8.270 nan 0.000 0.478 269 E N 3.375 123.607 120.200 0.053 0.000 2.498 269 E HA 0.222 4.572 4.350 -0.001 0.000 0.252 269 E C -0.575 176.062 176.600 0.063 0.000 1.025 269 E CA 0.839 57.279 56.400 0.066 0.000 0.938 269 E CB -0.025 29.728 29.700 0.087 0.000 0.947 269 E HN 0.904 nan 8.360 nan 0.000 0.478 270 G N 4.683 113.530 108.800 0.078 0.000 2.491 270 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.508 270 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.508 270 G C -1.230 173.798 174.900 0.214 0.000 1.143 270 G CA -0.814 44.342 45.100 0.093 0.000 1.277 270 G HN 0.398 nan 8.290 nan 0.000 0.599 271 F N 4.764 124.738 119.950 0.039 0.000 2.291 271 F HA 0.694 5.220 4.527 -0.001 0.000 0.368 271 F C 0.587 176.468 175.800 0.135 0.000 1.085 271 F CA -1.563 56.505 58.000 0.112 0.000 1.165 271 F CB 0.568 39.631 39.000 0.105 0.000 1.429 271 F HN 0.594 nan 8.300 nan 0.000 0.503 272 R N 7.165 127.762 120.500 0.163 0.000 2.513 272 R HA 0.720 5.059 4.340 -0.001 0.000 0.301 272 R C -1.707 174.635 176.300 0.071 0.000 0.968 272 R CA -0.821 55.287 56.100 0.013 0.000 0.872 272 R CB 1.494 31.776 30.300 -0.030 0.000 1.177 272 R HN 0.594 nan 8.270 nan 0.000 0.444 273 I N -0.098 120.468 120.570 -0.007 0.000 2.433 273 I HA 0.560 4.730 4.170 -0.001 0.000 0.292 273 I C -0.674 175.475 176.117 0.054 0.000 1.001 273 I CA -0.754 60.556 61.300 0.017 0.000 1.119 273 I CB 2.253 40.255 38.000 0.003 0.000 1.289 273 I HN 0.597 nan 8.210 nan 0.000 0.438 274 T N 2.526 117.098 114.554 0.029 0.000 2.907 274 T HA 0.292 4.641 4.350 -0.001 0.000 0.290 274 T C 0.343 175.075 174.700 0.052 0.000 1.066 274 T CA -0.243 61.877 62.100 0.034 0.000 1.012 274 T CB 1.246 70.140 68.868 0.043 0.000 1.184 274 T HN 0.593 nan 8.240 nan 0.000 0.522 275 Y N 1.509 121.741 120.300 -0.113 0.000 2.207 275 Y HA -0.123 4.427 4.550 -0.001 0.000 0.287 275 Y C 1.924 177.762 175.900 -0.104 0.000 1.156 275 Y CA 2.108 60.142 58.100 -0.110 0.000 1.182 275 Y CB -0.229 38.146 38.460 -0.142 0.000 0.979 275 Y HN 0.650 nan 8.280 nan 0.000 0.521 276 D N -0.149 120.226 120.400 -0.041 0.000 2.178 276 D HA -0.163 4.476 4.640 -0.001 0.000 0.201 276 D C 1.642 177.835 176.300 -0.178 0.000 0.980 276 D CA 1.505 55.414 54.000 -0.153 0.000 0.842 276 D CB -0.200 40.541 40.800 -0.098 0.000 0.948 276 D HN 0.466 nan 8.370 nan 0.000 0.472 277 D N -0.366 119.936 120.400 -0.163 0.000 2.249 277 D HA -0.023 4.617 4.640 -0.001 0.000 0.205 277 D C 1.518 177.728 176.300 -0.151 0.000 0.962 277 D CA 0.148 54.003 54.000 -0.241 0.000 0.860 277 D CB 0.250 40.843 40.800 -0.345 0.000 0.955 277 D HN 0.144 nan 8.370 nan 0.000 0.505 278 L N 1.325 122.503 121.223 -0.075 0.000 2.645 278 L HA 0.063 4.402 4.340 -0.001 0.000 0.235 278 L C 0.822 177.634 176.870 -0.097 0.000 1.150 278 L CA 0.207 55.036 54.840 -0.018 0.000 0.911 278 L CB -0.501 41.607 42.059 0.081 0.000 1.077 278 L HN -0.073 nan 8.230 nan 0.000 0.438 279 E N 0.072 120.179 120.200 -0.156 0.000 2.558 279 E HA 0.195 4.544 4.350 -0.001 0.000 0.255 279 E C 1.207 177.719 176.600 -0.147 0.000 0.968 279 E CA 0.902 57.191 56.400 -0.184 0.000 0.939 279 E CB 0.173 29.766 29.700 -0.179 0.000 0.921 279 E HN 0.378 nan 8.360 nan 0.000 0.477 280 G N 2.796 111.494 108.800 -0.170 0.000 2.253 280 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.209 280 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.209 280 G C 0.734 175.512 174.900 -0.204 0.000 0.997 280 G CA 0.226 45.231 45.100 -0.158 0.000 0.640 280 G HN 0.790 nan 8.290 nan 0.000 0.496 281 G N 0.530 109.212 108.800 -0.196 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 0.683 175.399 174.900 -0.307 0.000 1.310 281 G CA 1.003 45.989 45.100 -0.191 0.000 0.849 281 G HN 1.164 nan 8.290 nan 0.000 0.568 282 N N 0.812 119.352 118.700 -0.266 0.000 2.608 282 N HA -0.149 4.591 4.740 -0.001 0.000 0.273 282 N C 0.524 175.801 175.510 -0.389 0.000 1.133 282 N CA 0.911 53.750 53.050 -0.352 0.000 0.726 282 N CB -1.296 36.822 38.487 -0.616 0.000 0.890 282 N HN 0.772 nan 8.380 nan 0.000 0.548 283 I N -0.700 119.738 120.570 -0.220 0.000 3.015 283 I HA 0.039 4.208 4.170 -0.001 0.000 0.309 283 I C -1.599 174.542 176.117 0.039 0.000 1.229 283 I CA -0.722 60.479 61.300 -0.165 0.000 1.430 283 I CB 0.177 37.902 38.000 -0.458 0.000 1.347 283 I HN 0.121 nan 8.210 nan 0.000 0.544 284 P HA 0.084 nan 4.420 nan 0.000 0.270 284 P C -0.203 177.382 177.300 0.476 0.000 1.223 284 P CA -0.175 63.225 63.100 0.500 0.000 0.785 284 P CB 0.633 32.648 31.700 0.525 0.000 0.923 285 A N 2.590 125.654 122.820 0.407 0.000 2.366 285 A HA 0.259 4.579 4.320 -0.001 0.000 0.249 285 A C 1.163 178.862 177.584 0.192 0.000 1.084 285 A CA -0.436 51.781 52.037 0.299 0.000 0.794 285 A CB -0.465 18.660 19.000 0.209 0.000 1.034 285 A HN 0.551 nan 8.150 nan 0.000 0.491 286 L N -0.390 120.893 121.223 0.099 0.000 2.483 286 L HA 0.394 4.734 4.340 -0.001 0.000 0.159 286 L C 0.136 176.991 176.870 -0.025 0.000 1.273 286 L CA 0.235 55.035 54.840 -0.066 0.000 2.526 286 L CB -0.139 41.876 42.059 -0.073 0.000 2.598 286 L HN 0.706 nan 8.230 nan 0.000 0.766 287 L N -0.574 120.625 121.223 -0.040 0.000 2.847 287 L HA 0.220 4.559 4.340 -0.001 0.000 0.261 287 L C -1.248 175.605 176.870 -0.029 0.000 0.926 287 L CA -0.535 54.280 54.840 -0.042 0.000 1.010 287 L CB 1.484 43.501 42.059 -0.070 0.000 1.538 287 L HN 0.264 nan 8.230 nan 0.000 0.465 288 D N 3.753 124.139 120.400 -0.023 0.000 2.383 288 D HA 0.033 4.672 4.640 -0.001 0.000 0.275 288 D C 1.325 177.643 176.300 0.030 0.000 1.344 288 D CA 0.384 54.380 54.000 -0.008 0.000 0.984 288 D CB 1.309 42.102 40.800 -0.012 0.000 1.104 288 D HN 0.461 nan 8.370 nan 0.000 0.524 289 V N 4.242 124.175 119.914 0.031 0.000 2.250 289 V HA -0.324 3.796 4.120 -0.001 0.000 0.250 289 V C 1.737 177.885 176.094 0.089 0.000 1.060 289 V CA 2.112 64.451 62.300 0.065 0.000 1.030 289 V CB -0.346 31.504 31.823 0.046 0.000 0.643 289 V HN 0.514 nan 8.190 nan 0.000 0.445 290 D N 0.157 120.586 120.400 0.047 0.000 2.224 290 D HA 0.038 4.677 4.640 -0.001 0.000 0.205 290 D C 1.525 177.842 176.300 0.028 0.000 0.965 290 D CA 1.084 55.101 54.000 0.029 0.000 0.852 290 D CB -0.248 40.557 40.800 0.010 0.000 0.947 290 D HN 0.477 nan 8.370 nan 0.000 0.494 291 A N -0.900 121.946 122.820 0.043 0.000 2.648 291 A HA 0.223 4.542 4.320 -0.001 0.000 0.269 291 A C 0.368 178.020 177.584 0.114 0.000 1.392 291 A CA -0.056 52.009 52.037 0.046 0.000 1.019 291 A CB -0.636 18.378 19.000 0.024 0.000 1.009 291 A HN 0.459 nan 8.150 nan 0.000 0.565 292 Y N -2.657 117.630 120.300 -0.021 0.000 3.215 292 Y HA 0.074 4.624 4.550 -0.001 0.000 0.206 292 Y C 1.687 177.578 175.900 -0.016 0.000 1.054 292 Y CA 0.709 58.797 58.100 -0.020 0.000 1.550 292 Y CB -0.095 38.351 38.460 -0.023 0.000 1.434 292 Y HN 0.190 nan 8.280 nan 0.000 0.391 293 Q N 0.966 120.693 119.800 -0.122 0.000 2.083 293 Q HA 0.034 4.374 4.340 -0.001 0.000 0.198 293 Q C 1.835 177.748 176.000 -0.145 0.000 0.969 293 Q CA 1.577 57.267 55.803 -0.189 0.000 0.838 293 Q CB 0.115 28.875 28.738 0.036 0.000 0.900 293 Q HN 0.606 nan 8.270 nan 0.000 0.436 294 A N -0.213 122.562 122.820 -0.075 0.000 2.178 294 A HA 0.078 4.397 4.320 -0.001 0.000 0.211 294 A C 1.466 179.008 177.584 -0.072 0.000 1.157 294 A CA 0.276 52.276 52.037 -0.061 0.000 0.780 294 A CB 0.101 19.084 19.000 -0.029 0.000 0.828 294 A HN 0.229 nan 8.150 nan 0.000 0.476 295 S N -1.268 114.378 115.700 -0.090 0.000 2.598 295 S HA 0.607 5.076 4.470 -0.001 0.000 0.267 295 S C 0.347 174.864 174.600 -0.138 0.000 1.189 295 S CA 0.068 58.214 58.200 -0.089 0.000 1.010 295 S CB -0.213 62.952 63.200 -0.058 0.000 1.084 295 S HN 0.784 nan 8.310 nan 0.000 0.541 313 K N 0.741 121.154 120.400 0.023 0.000 2.345 313 K HA 0.670 4.989 4.320 -0.001 0.000 0.255 313 K C -1.974 174.661 176.600 0.058 0.000 0.934 313 K CA -1.238 55.084 56.287 0.058 0.000 0.801 313 K CB 2.007 34.556 32.500 0.082 0.000 1.137 313 K HN -0.218 nan 8.250 nan 0.000 0.424 314 P HA 0.032 nan 4.420 nan 0.000 0.262 314 P C 1.030 178.371 177.300 0.070 0.000 1.651 314 P CA -0.217 62.920 63.100 0.061 0.000 1.119 314 P CB 0.028 31.759 31.700 0.052 0.000 1.552 315 V N -0.165 119.794 119.914 0.076 0.000 2.277 315 V HA -0.301 3.818 4.120 -0.001 0.000 0.253 315 V C 1.884 177.948 176.094 -0.050 0.000 1.067 315 V CA 2.159 64.453 62.300 -0.010 0.000 1.047 315 V CB -2.017 29.752 31.823 -0.089 0.000 0.649 315 V HN 0.267 nan 8.190 nan 0.000 0.447 316 I N -1.420 119.126 120.570 -0.040 0.000 3.472 316 I HA 0.189 4.359 4.170 -0.001 0.000 0.313 316 I C 0.847 176.940 176.117 -0.040 0.000 1.173 316 I CA 0.760 62.028 61.300 -0.052 0.000 1.198 316 I CB -0.870 37.100 38.000 -0.049 0.000 0.992 316 I HN 0.178 nan 8.210 nan 0.000 0.538 317 K N 3.056 123.437 120.400 -0.031 0.000 2.334 317 K HA 0.459 4.778 4.320 -0.001 0.000 0.265 317 K C -2.510 174.071 176.600 -0.033 0.000 1.039 317 K CA -1.877 54.394 56.287 -0.026 0.000 0.920 317 K CB 1.422 33.913 32.500 -0.014 0.000 1.160 317 K HN 0.026 nan 8.250 nan 0.000 0.451 318 P HA 0.024 nan 4.420 nan 0.000 0.272 318 P C -0.470 176.796 177.300 -0.057 0.000 1.230 318 P CA -0.471 62.613 63.100 -0.027 0.000 0.788 318 P CB 0.612 32.308 31.700 -0.008 0.000 0.949 319 L N 2.192 123.371 121.223 -0.075 0.000 2.437 319 L HA 0.065 4.404 4.340 -0.001 0.000 0.243 319 L C 1.739 178.409 176.870 -0.334 0.000 1.346 319 L CA 0.433 55.175 54.840 -0.163 0.000 1.233 319 L CB -1.285 40.697 42.059 -0.128 0.000 1.436 319 L HN 0.417 nan 8.230 nan 0.000 0.416 320 T N 0.886 115.305 114.554 -0.224 0.000 2.684 320 T HA -0.225 4.125 4.350 -0.001 0.000 0.267 320 T C 0.755 175.252 174.700 -0.340 0.000 1.032 320 T CA 2.239 64.206 62.100 -0.222 0.000 1.155 320 T CB 0.034 68.829 68.868 -0.123 0.000 0.857 320 T HN 0.725 nan 8.240 nan 0.000 0.457 321 E N -0.545 119.434 120.200 -0.369 0.000 2.449 321 E HA 0.579 4.929 4.350 -0.001 0.000 0.254 321 E C -1.116 175.241 176.600 -0.405 0.000 0.907 321 E CA -1.006 55.189 56.400 -0.341 0.000 0.840 321 E CB 1.150 30.754 29.700 -0.160 0.000 1.459 321 E HN 0.130 nan 8.360 nan 0.000 0.407 322 D N -0.438 119.854 120.400 -0.181 0.000 2.753 322 D HA 0.117 4.756 4.640 -0.001 0.000 0.224 322 D C 0.483 176.787 176.300 0.006 0.000 1.213 322 D CA -0.177 53.793 54.000 -0.050 0.000 0.833 322 D CB 2.143 43.034 40.800 0.151 0.000 1.607 322 D HN 0.413 nan 8.370 nan 0.000 0.463 323 S N 2.892 118.602 115.700 0.016 0.000 2.396 323 S HA -0.329 4.140 4.470 -0.001 0.000 0.476 323 S C 0.837 175.447 174.600 0.017 0.000 1.048 323 S CA 2.088 60.301 58.200 0.021 0.000 2.784 323 S CB -0.444 62.778 63.200 0.037 0.000 2.036 323 S HN 0.626 nan 8.310 nan 0.000 0.520 324 K N 1.439 121.858 120.400 0.031 0.000 3.226 324 K HA 0.236 4.555 4.320 -0.001 0.000 0.268 324 K C 0.064 176.678 176.600 0.024 0.000 1.217 324 K CA 0.098 56.402 56.287 0.029 0.000 1.242 324 K CB -0.061 32.464 32.500 0.041 0.000 1.389 324 K HN 0.540 nan 8.250 nan 0.000 0.406 325 K N 1.942 122.346 120.400 0.007 0.000 4.007 325 K HA -0.225 4.094 4.320 -0.001 0.000 0.279 325 K C -1.379 175.219 176.600 -0.003 0.000 0.919 325 K CA 0.557 56.839 56.287 -0.008 0.000 0.800 325 K CB -0.526 31.970 32.500 -0.008 0.000 1.572 325 K HN 0.393 nan 8.250 nan 0.000 0.443 326 R N 1.320 121.822 120.500 0.003 0.000 2.388 326 R HA 0.234 4.573 4.340 -0.001 0.000 0.314 326 R C -0.064 176.260 176.300 0.040 0.000 0.959 326 R CA -0.458 55.660 56.100 0.029 0.000 0.851 326 R CB 1.737 32.075 30.300 0.063 0.000 1.168 326 R HN 0.341 nan 8.270 nan 0.000 0.472 327 S N 2.311 118.018 115.700 0.012 0.000 2.572 327 S HA 0.030 4.500 4.470 -0.001 0.000 0.279 327 S C 0.248 174.933 174.600 0.141 0.000 1.341 327 S CA -0.255 57.940 58.200 -0.008 0.000 1.043 327 S CB 0.338 63.518 63.200 -0.034 0.000 0.887 327 S HN 0.755 nan 8.310 nan 0.000 0.516 328 Y N 1.588 121.840 120.300 -0.081 0.000 2.468 328 Y HA 0.208 4.758 4.550 -0.001 0.000 0.268 328 Y C 0.686 176.435 175.900 -0.252 0.000 1.177 328 Y CA -0.657 57.376 58.100 -0.112 0.000 1.265 328 Y CB -0.210 38.241 38.460 -0.015 0.000 1.103 328 Y HN 0.798 nan 8.280 nan 0.000 0.522 329 N N 1.236 119.889 118.700 -0.077 0.000 2.714 329 N HA -0.217 4.523 4.740 -0.001 0.000 0.252 329 N C -0.792 174.664 175.510 -0.090 0.000 1.014 329 N CA 0.168 53.129 53.050 -0.149 0.000 0.735 329 N CB -1.726 36.567 38.487 -0.323 0.000 0.924 329 N HN 0.363 nan 8.380 nan 0.000 0.540 330 L N 0.752 121.966 121.223 -0.015 0.000 2.456 330 L HA 0.116 4.455 4.340 -0.001 0.000 0.272 330 L C 2.405 179.288 176.870 0.021 0.000 1.189 330 L CA -0.570 54.287 54.840 0.029 0.000 0.846 330 L CB 0.303 42.389 42.059 0.044 0.000 1.111 330 L HN 0.114 nan 8.230 nan 0.000 0.475 331 I N 0.210 120.812 120.570 0.053 0.000 2.113 331 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 331 I C 1.223 177.359 176.117 0.030 0.000 1.057 331 I CA 1.754 63.085 61.300 0.052 0.000 1.314 331 I CB -0.424 37.630 38.000 0.090 0.000 1.022 331 I HN 0.715 nan 8.210 nan 0.000 0.408 332 S N -1.156 114.560 115.700 0.027 0.000 2.705 332 S HA 0.343 4.812 4.470 -0.001 0.000 0.280 332 S C 0.695 175.297 174.600 0.004 0.000 1.174 332 S CA -0.698 57.508 58.200 0.010 0.000 0.823 332 S CB 1.319 64.524 63.200 0.009 0.000 1.162 332 S HN 0.169 nan 8.310 nan 0.000 0.487 333 N N 1.457 120.153 118.700 -0.006 0.000 2.309 333 N HA -0.089 4.651 4.740 -0.001 0.000 0.182 333 N C 0.679 176.180 175.510 -0.016 0.000 1.018 333 N CA 0.745 53.787 53.050 -0.013 0.000 0.876 333 N CB -0.262 38.215 38.487 -0.017 0.000 0.972 333 N HN 0.504 nan 8.380 nan 0.000 0.434 334 D N 1.109 121.501 120.400 -0.015 0.000 2.117 334 D HA -0.063 4.576 4.640 -0.001 0.000 0.198 334 D C 0.582 176.863 176.300 -0.033 0.000 0.982 334 D CA 0.507 54.493 54.000 -0.023 0.000 0.828 334 D CB -0.046 40.742 40.800 -0.020 0.000 0.967 334 D HN 0.084 nan 8.370 nan 0.000 0.464 335 S N -0.397 115.294 115.700 -0.015 0.000 2.549 335 S HA 0.042 4.511 4.470 -0.001 0.000 0.286 335 S C 1.268 175.852 174.600 -0.028 0.000 1.314 335 S CA 0.171 58.362 58.200 -0.015 0.000 1.062 335 S CB 0.977 64.209 63.200 0.055 0.000 0.865 335 S HN 0.270 nan 8.310 nan 0.000 0.498 336 T N 2.643 117.123 114.554 -0.123 0.000 3.122 336 T HA 0.345 4.694 4.350 -0.001 0.000 0.250 336 T C 0.125 174.838 174.700 0.022 0.000 1.067 336 T CA -0.258 61.766 62.100 -0.125 0.000 0.966 336 T CB -0.553 68.157 68.868 -0.263 0.000 1.002 336 T HN 0.482 nan 8.240 nan 0.000 0.542 337 F N 1.502 121.503 119.950 0.085 0.000 2.556 337 F HA 0.592 5.118 4.527 -0.001 0.000 0.327 337 F C 0.875 176.717 175.800 0.070 0.000 1.059 337 F CA -1.523 56.529 58.000 0.086 0.000 0.953 337 F CB 1.922 40.955 39.000 0.055 0.000 1.227 337 F HN -0.031 nan 8.300 nan 0.000 0.478 338 T N -1.519 113.196 114.554 0.268 0.000 2.944 338 T HA 0.197 4.547 4.350 -0.001 0.000 0.284 338 T C 0.302 175.040 174.700 0.063 0.000 1.010 338 T CA -0.618 61.560 62.100 0.129 0.000 1.025 338 T CB 1.682 70.616 68.868 0.110 0.000 1.079 338 T HN 0.698 nan 8.240 nan 0.000 0.516 339 Q N 0.051 119.839 119.800 -0.020 0.000 2.482 339 Q HA 0.071 4.410 4.340 -0.001 0.000 0.209 339 Q C -0.432 175.607 176.000 0.066 0.000 0.961 339 Q CA 0.318 56.140 55.803 0.032 0.000 0.945 339 Q CB -0.056 28.678 28.738 -0.006 0.000 1.012 339 Q HN 0.686 nan 8.270 nan 0.000 0.515 340 Y N 0.791 121.063 120.300 -0.048 0.000 2.496 340 Y HA 0.152 4.701 4.550 -0.001 0.000 0.334 340 Y C 0.546 176.375 175.900 -0.118 0.000 1.080 340 Y CA -0.559 57.457 58.100 -0.139 0.000 1.355 340 Y CB 0.483 38.786 38.460 -0.262 0.000 1.193 340 Y HN -0.086 nan 8.280 nan 0.000 0.523 341 R N 1.935 122.514 120.500 0.133 0.000 2.460 341 R HA 0.394 4.733 4.340 -0.001 0.000 0.303 341 R C -0.920 175.397 176.300 0.027 0.000 0.968 341 R CA -0.454 55.696 56.100 0.084 0.000 0.889 341 R CB 1.514 31.961 30.300 0.245 0.000 1.123 341 R HN 0.573 nan 8.270 nan 0.000 0.455 342 S N 3.253 118.961 115.700 0.014 0.000 2.519 342 S HA 0.149 4.619 4.470 -0.001 0.000 0.309 342 S C 0.265 174.937 174.600 0.119 0.000 1.100 342 S CA -0.806 57.452 58.200 0.097 0.000 1.059 342 S CB 0.584 63.877 63.200 0.155 0.000 1.008 342 S HN 0.782 nan 8.310 nan 0.000 0.478 343 W N 5.368 126.753 121.300 0.142 0.000 2.335 343 W HA -0.191 4.469 4.660 -0.001 0.000 0.311 343 W C 1.595 178.277 176.519 0.272 0.000 1.213 343 W CA 1.804 59.258 57.345 0.182 0.000 1.274 343 W CB -0.726 28.841 29.460 0.178 0.000 1.148 343 W HN 0.976 nan 8.180 nan 0.000 0.498 344 Y N 0.372 120.522 120.300 -0.250 0.000 2.224 344 Y HA -0.240 4.310 4.550 -0.001 0.000 0.289 344 Y C 2.233 178.017 175.900 -0.193 0.000 1.146 344 Y CA 2.562 60.467 58.100 -0.324 0.000 1.182 344 Y CB -0.485 37.979 38.460 0.007 0.000 0.983 344 Y HN -0.078 nan 8.280 nan 0.000 0.524 345 L N -0.807 120.477 121.223 0.103 0.000 2.156 345 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 345 L C 2.710 179.570 176.870 -0.018 0.000 1.095 345 L CA 0.834 55.758 54.840 0.141 0.000 0.770 345 L CB -0.898 41.167 42.059 0.010 0.000 0.914 345 L HN 0.265 nan 8.230 nan 0.000 0.439 346 A N -0.565 122.162 122.820 -0.156 0.000 1.897 346 A HA -0.242 4.077 4.320 -0.001 0.000 0.215 346 A C 2.186 179.603 177.584 -0.278 0.000 1.181 346 A CA 1.101 53.025 52.037 -0.188 0.000 0.620 346 A CB -0.749 18.159 19.000 -0.152 0.000 0.821 346 A HN 0.417 nan 8.150 nan 0.000 0.443 347 Y N 0.638 120.608 120.300 -0.549 0.000 2.293 347 Y HA -0.113 4.437 4.550 -0.001 0.000 0.291 347 Y C 2.185 177.833 175.900 -0.421 0.000 1.137 347 Y CA 1.935 59.720 58.100 -0.526 0.000 1.202 347 Y CB 0.071 37.974 38.460 -0.929 0.000 0.990 347 Y HN 0.318 nan 8.280 nan 0.000 0.537 348 N N -2.061 116.365 118.700 -0.456 0.000 2.499 348 N HA -0.041 4.698 4.740 -0.001 0.000 0.182 348 N C 0.812 176.008 175.510 -0.523 0.000 1.034 348 N CA 1.003 53.719 53.050 -0.557 0.000 0.882 348 N CB -0.124 37.891 38.487 -0.787 0.000 1.125 348 N HN 0.351 nan 8.380 nan 0.000 0.436 349 Y N 0.566 120.702 120.300 -0.273 0.000 2.442 349 Y HA 0.376 4.925 4.550 -0.001 0.000 0.250 349 Y C 1.667 177.458 175.900 -0.182 0.000 1.113 349 Y CA -0.379 57.597 58.100 -0.206 0.000 1.273 349 Y CB 0.085 38.425 38.460 -0.200 0.000 1.138 349 Y HN -0.116 nan 8.280 nan 0.000 0.522 350 G N -0.115 108.652 108.800 -0.054 0.000 2.611 350 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.273 350 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.273 350 G C -0.711 174.131 174.900 -0.097 0.000 1.305 350 G CA -0.426 44.623 45.100 -0.085 0.000 1.010 350 G HN 0.065 nan 8.290 nan 0.000 0.509 351 D N 0.466 120.818 120.400 -0.079 0.000 2.382 351 D HA 0.072 4.712 4.640 -0.001 0.000 0.259 351 D C -0.959 175.285 176.300 -0.094 0.000 1.224 351 D CA -1.307 52.651 54.000 -0.070 0.000 0.894 351 D CB 1.627 42.400 40.800 -0.045 0.000 1.127 351 D HN 0.025 nan 8.370 nan 0.000 0.487 352 P HA -0.103 nan 4.420 nan 0.000 0.230 352 P C 0.562 177.812 177.300 -0.084 0.000 1.158 352 P CA 0.996 64.011 63.100 -0.141 0.000 0.769 352 P CB 0.470 32.084 31.700 -0.142 0.000 0.807 353 Q N -1.541 118.231 119.800 -0.047 0.000 2.391 353 Q HA 0.100 4.439 4.340 -0.001 0.000 0.243 353 Q C 1.635 177.644 176.000 0.014 0.000 0.874 353 Q CA 0.812 56.607 55.803 -0.012 0.000 0.950 353 Q CB -0.024 28.708 28.738 -0.010 0.000 1.103 353 Q HN 0.160 nan 8.270 nan 0.000 0.544 354 T N 0.291 114.846 114.554 0.002 0.000 2.976 354 T HA 0.109 4.458 4.350 -0.001 0.000 0.257 354 T C 0.814 175.530 174.700 0.027 0.000 1.051 354 T CA 0.923 63.032 62.100 0.014 0.000 1.141 354 T CB 0.174 69.038 68.868 -0.007 0.000 0.881 354 T HN 0.329 nan 8.240 nan 0.000 0.461 355 G N 0.197 109.003 108.800 0.010 0.000 3.107 355 G HA2 0.504 4.464 3.960 -0.001 0.000 0.232 355 G HA3 0.504 4.464 3.960 -0.001 0.000 0.232 355 G C 0.625 175.573 174.900 0.081 0.000 1.339 355 G CA -0.683 44.425 45.100 0.013 0.000 1.033 355 G HN 0.049 nan 8.290 nan 0.000 0.567 356 I N 0.222 120.847 120.570 0.091 0.000 2.576 356 I HA -0.172 3.998 4.170 -0.001 0.000 0.263 356 I C 2.614 178.921 176.117 0.317 0.000 1.183 356 I CA 1.215 62.676 61.300 0.267 0.000 1.432 356 I CB -0.336 37.816 38.000 0.254 0.000 1.100 356 I HN 0.553 nan 8.210 nan 0.000 0.452 357 R N -0.343 120.159 120.500 0.003 0.000 2.148 357 R HA -0.135 4.204 4.340 -0.001 0.000 0.227 357 R C 2.402 178.719 176.300 0.028 0.000 1.103 357 R CA 1.524 57.474 56.100 -0.250 0.000 0.983 357 R CB 0.023 29.934 30.300 -0.649 0.000 0.874 357 R HN 0.198 nan 8.270 nan 0.000 0.451 358 S N -0.535 115.233 115.700 0.113 0.000 2.425 358 S HA -0.081 4.388 4.470 -0.001 0.000 0.225 358 S C 1.437 176.164 174.600 0.211 0.000 1.024 358 S CA 0.198 58.481 58.200 0.138 0.000 0.951 358 S CB -0.239 63.039 63.200 0.130 0.000 0.796 358 S HN 0.561 nan 8.310 nan 0.000 0.498 359 W N 1.631 123.009 121.300 0.130 0.000 2.388 359 W HA 0.079 4.739 4.660 -0.001 0.000 0.294 359 W C 1.065 177.707 176.519 0.205 0.000 1.212 359 W CA 1.289 58.735 57.345 0.167 0.000 1.271 359 W CB -0.163 29.424 29.460 0.212 0.000 1.126 359 W HN 0.288 nan 8.180 nan 0.000 0.535 360 T N -0.828 114.002 114.554 0.459 0.000 2.696 360 T HA 0.526 4.875 4.350 -0.001 0.000 0.291 360 T C -1.764 173.215 174.700 0.466 0.000 1.095 360 T CA -0.616 61.746 62.100 0.438 0.000 1.026 360 T CB 1.289 70.570 68.868 0.689 0.000 1.390 360 T HN -0.183 nan 8.240 nan 0.000 0.513 361 L N 1.783 123.192 121.223 0.309 0.000 2.455 361 L HA 0.749 5.088 4.340 -0.001 0.000 0.264 361 L C -1.742 175.078 176.870 -0.083 0.000 0.968 361 L CA -0.835 54.109 54.840 0.174 0.000 0.827 361 L CB 1.914 44.022 42.059 0.082 0.000 1.317 361 L HN 0.561 nan 8.230 nan 0.000 0.407 362 L N 4.979 125.994 121.223 -0.347 0.000 2.295 362 L HA 0.490 4.829 4.340 -0.001 0.000 0.288 362 L C -0.787 176.035 176.870 -0.079 0.000 1.079 362 L CA 0.213 54.886 54.840 -0.279 0.000 0.830 362 L CB -0.248 41.510 42.059 -0.503 0.000 1.200 362 L HN 0.757 nan 8.230 nan 0.000 0.438 363 C N 1.664 120.932 119.300 -0.053 0.000 2.595 363 C HA 0.726 5.185 4.460 -0.001 0.000 0.338 363 C C 0.670 175.644 174.990 -0.027 0.000 1.219 363 C CA -0.763 58.229 59.018 -0.045 0.000 1.811 363 C CB 1.620 29.315 27.740 -0.075 0.000 2.313 363 C HN 0.842 nan 8.230 nan 0.000 0.499 364 T N 0.711 115.245 114.554 -0.033 0.000 2.930 364 T HA 0.281 4.630 4.350 -0.001 0.000 0.306 364 T C -2.393 172.271 174.700 -0.059 0.000 1.045 364 T CA -0.727 61.351 62.100 -0.036 0.000 1.134 364 T CB -0.029 68.806 68.868 -0.056 0.000 0.961 364 T HN 0.617 nan 8.240 nan 0.000 0.545 365 P HA 0.123 nan 4.420 nan 0.000 0.261 365 P C -0.765 176.476 177.300 -0.098 0.000 1.183 365 P CA 0.146 63.194 63.100 -0.088 0.000 0.761 365 P CB 0.290 31.946 31.700 -0.073 0.000 0.785 366 D N 2.627 122.959 120.400 -0.113 0.000 2.412 366 D HA 0.072 4.711 4.640 -0.001 0.000 0.224 366 D C 1.011 177.242 176.300 -0.116 0.000 1.093 366 D CA -0.473 53.464 54.000 -0.106 0.000 0.850 366 D CB 0.860 41.602 40.800 -0.097 0.000 1.046 366 D HN -0.072 nan 8.370 nan 0.000 0.507 367 V N 3.392 123.237 119.914 -0.116 0.000 3.026 367 V HA -0.147 3.972 4.120 -0.001 0.000 0.265 367 V C 1.505 177.526 176.094 -0.122 0.000 1.121 367 V CA 2.064 64.290 62.300 -0.124 0.000 1.142 367 V CB -0.320 31.423 31.823 -0.133 0.000 0.730 367 V HN 0.697 nan 8.190 nan 0.000 0.503 368 T N -2.370 112.118 114.554 -0.109 0.000 2.976 368 T HA -0.033 4.316 4.350 -0.001 0.000 0.257 368 T C 1.281 175.928 174.700 -0.088 0.000 1.051 368 T CA 0.924 62.966 62.100 -0.098 0.000 1.141 368 T CB -0.153 68.670 68.868 -0.075 0.000 0.881 368 T HN 0.566 nan 8.240 nan 0.000 0.461 369 C N -0.007 119.238 119.300 -0.091 0.000 5.277 369 C HA -0.055 4.404 4.460 -0.001 0.000 0.225 369 C C 1.887 176.832 174.990 -0.075 0.000 1.237 369 C CA 0.299 59.262 59.018 -0.091 0.000 1.297 369 C CB -1.853 25.838 27.740 -0.083 0.000 1.947 369 C HN 0.805 nan 8.230 nan 0.000 0.642 370 G N -0.886 107.874 108.800 -0.067 0.000 4.130 370 G HA2 0.431 4.391 3.960 -0.001 0.000 0.162 370 G HA3 0.431 4.391 3.960 -0.001 0.000 0.162 370 G C 0.366 175.241 174.900 -0.042 0.000 1.099 370 G CA 0.977 46.045 45.100 -0.054 0.000 0.889 370 G HN 2.033 nan 8.290 nan 0.000 0.547 371 S N 0.996 116.671 115.700 -0.040 0.000 3.292 371 S HA -0.204 4.265 4.470 -0.001 0.000 0.360 371 S C -0.078 174.513 174.600 -0.015 0.000 0.930 371 S CA 1.458 59.644 58.200 -0.025 0.000 1.317 371 S CB -1.928 61.262 63.200 -0.016 0.000 0.920 371 S HN 0.703 nan 8.310 nan 0.000 0.540 372 E N 2.039 122.223 120.200 -0.026 0.000 2.349 372 E HA 0.245 4.594 4.350 -0.001 0.000 0.265 372 E C 0.802 177.387 176.600 -0.025 0.000 1.064 372 E CA -0.760 55.624 56.400 -0.027 0.000 0.886 372 E CB 0.468 30.138 29.700 -0.051 0.000 1.036 372 E HN 0.807 nan 8.360 nan 0.000 0.413 373 Q N 1.074 120.859 119.800 -0.025 0.000 2.260 373 Q HA 0.332 4.671 4.340 -0.001 0.000 0.242 373 Q C -0.275 175.654 176.000 -0.118 0.000 0.932 373 Q CA -0.627 55.178 55.803 0.002 0.000 0.891 373 Q CB 1.328 30.135 28.738 0.115 0.000 1.222 373 Q HN 0.348 nan 8.270 nan 0.000 0.453 374 V N -0.194 119.702 119.914 -0.031 0.000 2.975 374 V HA 0.697 4.816 4.120 -0.001 0.000 0.318 374 V C -1.197 174.997 176.094 0.166 0.000 1.077 374 V CA -0.973 61.273 62.300 -0.090 0.000 1.000 374 V CB 1.119 32.883 31.823 -0.097 0.000 1.066 374 V HN 0.735 nan 8.190 nan 0.000 0.452 375 Y N -0.789 119.498 120.300 -0.022 0.000 2.442 375 Y HA 0.654 5.204 4.550 -0.001 0.000 0.344 375 Y C -0.755 175.163 175.900 0.030 0.000 0.976 375 Y CA -1.373 56.761 58.100 0.058 0.000 1.040 375 Y CB 1.089 39.607 38.460 0.097 0.000 1.228 375 Y HN 0.739 nan 8.280 nan 0.000 0.451 376 W N 1.865 123.246 121.300 0.135 0.000 2.316 376 W HA 0.627 5.287 4.660 -0.001 0.000 0.321 376 W C -0.464 176.048 176.519 -0.011 0.000 1.203 376 W CA -0.368 56.991 57.345 0.024 0.000 1.214 376 W CB 1.586 30.980 29.460 -0.111 0.000 1.169 376 W HN 0.468 nan 8.180 nan 0.000 0.561 377 S N 2.859 118.729 115.700 0.283 0.000 2.672 377 S HA 0.540 5.009 4.470 -0.001 0.000 0.291 377 S C -0.765 173.861 174.600 0.045 0.000 1.145 377 S CA -0.861 57.403 58.200 0.107 0.000 1.013 377 S CB 0.972 64.272 63.200 0.167 0.000 1.017 377 S HN 0.537 nan 8.310 nan 0.000 0.487 378 L N 2.991 124.179 121.223 -0.059 0.000 3.209 378 L HA 0.314 4.653 4.340 -0.001 0.000 0.279 378 L C -1.637 175.140 176.870 -0.156 0.000 1.301 378 L CA -1.520 53.261 54.840 -0.097 0.000 1.004 378 L CB 1.126 43.124 42.059 -0.102 0.000 1.402 378 L HN 0.484 nan 8.230 nan 0.000 0.577 379 P HA -0.086 nan 4.420 nan 0.000 0.239 379 P C -0.003 177.152 177.300 -0.243 0.000 1.184 379 P CA 0.816 63.737 63.100 -0.299 0.000 0.760 379 P CB 0.004 31.352 31.700 -0.587 0.000 0.884 380 D N -2.257 118.026 120.400 -0.194 0.000 2.363 380 D HA 0.178 4.817 4.640 -0.001 0.000 0.214 380 D C 1.657 177.893 176.300 -0.107 0.000 1.093 380 D CA 0.175 54.091 54.000 -0.139 0.000 0.837 380 D CB 0.184 40.913 40.800 -0.117 0.000 0.948 380 D HN 0.149 nan 8.370 nan 0.000 0.507 381 M N -0.721 118.815 119.600 -0.108 0.000 2.893 381 M HA 0.275 4.754 4.480 -0.001 0.000 0.201 381 M C -0.563 175.695 176.300 -0.069 0.000 1.926 381 M CA -0.079 55.167 55.300 -0.089 0.000 1.302 381 M CB 0.570 33.112 32.600 -0.097 0.000 1.249 381 M HN -0.107 nan 8.290 nan 0.000 0.599 382 M N 2.102 121.660 119.600 -0.071 0.000 2.249 382 M HA 0.037 4.516 4.480 -0.001 0.000 0.340 382 M C -0.255 176.029 176.300 -0.027 0.000 1.166 382 M CA 0.758 56.033 55.300 -0.041 0.000 1.115 382 M CB 0.403 32.977 32.600 -0.043 0.000 1.606 382 M HN 0.169 nan 8.290 nan 0.000 0.448 383 Q N 2.673 122.478 119.800 0.009 0.000 2.276 383 Q HA 0.041 4.380 4.340 -0.001 0.000 0.267 383 Q C -0.658 175.362 176.000 0.033 0.000 1.135 383 Q CA -0.325 55.493 55.803 0.026 0.000 0.910 383 Q CB -0.157 28.616 28.738 0.058 0.000 1.271 383 Q HN 0.603 nan 8.270 nan 0.000 0.417 384 D N 4.111 124.525 120.400 0.023 0.000 2.661 384 D HA -0.035 4.604 4.640 -0.001 0.000 0.244 384 D C -2.258 174.128 176.300 0.144 0.000 1.196 384 D CA -0.767 53.273 54.000 0.066 0.000 0.881 384 D CB 0.037 40.859 40.800 0.037 0.000 1.141 384 D HN 0.159 nan 8.370 nan 0.000 0.530 385 P HA -0.012 nan 4.420 nan 0.000 0.272 385 P C -0.253 177.106 177.300 0.097 0.000 1.243 385 P CA -0.617 62.582 63.100 0.165 0.000 0.803 385 P CB 0.302 32.130 31.700 0.214 0.000 0.974 386 V N -1.878 118.021 119.914 -0.025 0.000 2.694 386 V HA 0.112 4.231 4.120 -0.001 0.000 0.306 386 V C 1.162 177.152 176.094 -0.173 0.000 1.054 386 V CA 0.678 62.933 62.300 -0.075 0.000 1.161 386 V CB -0.768 30.998 31.823 -0.095 0.000 0.916 386 V HN 1.009 nan 8.190 nan 0.000 0.490 387 T N 0.542 115.036 114.554 -0.100 0.000 9.545 387 T HA -0.290 4.060 4.350 -0.001 0.000 0.344 387 T C -0.066 174.630 174.700 -0.006 0.000 1.908 387 T CA 1.233 63.266 62.100 -0.111 0.000 3.011 387 T CB -2.582 66.163 68.868 -0.205 0.000 2.298 387 T HN 0.791 nan 8.240 nan 0.000 0.992 388 F N 3.558 123.506 119.950 -0.003 0.000 2.506 388 F HA 0.452 4.978 4.527 -0.001 0.000 0.371 388 F C 1.412 177.218 175.800 0.010 0.000 1.078 388 F CA -1.427 56.576 58.000 0.004 0.000 1.195 388 F CB 0.552 39.551 39.000 -0.001 0.000 1.099 388 F HN 0.028 nan 8.300 nan 0.000 0.548 389 R N 1.915 122.564 120.500 0.248 0.000 2.570 389 R HA -0.022 4.317 4.340 -0.001 0.000 0.277 389 R C 0.093 176.447 176.300 0.090 0.000 1.039 389 R CA -0.086 56.094 56.100 0.133 0.000 1.065 389 R CB 0.896 31.265 30.300 0.115 0.000 0.964 389 R HN 0.466 nan 8.270 nan 0.000 0.428 390 S N 1.717 117.452 115.700 0.058 0.000 2.411 390 S HA 0.162 4.631 4.470 -0.001 0.000 0.304 390 S C -0.073 174.545 174.600 0.030 0.000 1.098 390 S CA -0.156 58.057 58.200 0.021 0.000 1.068 390 S CB 0.277 63.486 63.200 0.015 0.000 1.032 390 S HN 0.561 nan 8.310 nan 0.000 0.511 391 T N 1.968 116.548 114.554 0.043 0.000 2.831 391 T HA 0.602 4.951 4.350 -0.001 0.000 0.287 391 T C 0.399 175.196 174.700 0.162 0.000 1.070 391 T CA -0.240 61.922 62.100 0.102 0.000 1.010 391 T CB 1.447 70.395 68.868 0.135 0.000 1.264 391 T HN 0.585 nan 8.240 nan 0.000 0.532 392 S N 0.297 116.125 115.700 0.212 0.000 2.937 392 S HA 0.305 4.775 4.470 -0.001 0.000 0.252 392 S C 0.103 174.850 174.600 0.244 0.000 1.022 392 S CA -0.453 57.924 58.200 0.295 0.000 1.079 392 S CB 0.022 63.308 63.200 0.143 0.000 1.035 392 S HN 0.638 nan 8.310 nan 0.000 0.594 393 Q N 1.694 121.594 119.800 0.167 0.000 2.349 393 Q HA 0.403 4.743 4.340 -0.001 0.000 0.254 393 Q C 0.595 176.389 176.000 -0.344 0.000 0.980 393 Q CA -0.372 55.411 55.803 -0.033 0.000 0.924 393 Q CB 0.491 29.229 28.738 0.000 0.000 1.209 393 Q HN 0.586 nan 8.270 nan 0.000 0.445 394 I N 1.371 121.585 120.570 -0.592 0.000 2.953 394 I HA -0.217 3.952 4.170 -0.001 0.000 0.271 394 I C 1.022 176.709 176.117 -0.716 0.000 1.286 394 I CA 0.693 61.329 61.300 -1.107 0.000 1.449 394 I CB -0.109 37.532 38.000 -0.598 0.000 1.086 394 I HN 0.363 nan 8.210 nan 0.000 0.483 395 S N -0.346 115.120 115.700 -0.390 0.000 2.539 395 S HA 0.110 4.579 4.470 -0.001 0.000 0.221 395 S C 1.150 175.705 174.600 -0.075 0.000 0.987 395 S CA -0.257 57.833 58.200 -0.184 0.000 0.929 395 S CB -0.046 63.085 63.200 -0.116 0.000 0.832 395 S HN 0.535 nan 8.310 nan 0.000 0.492 396 N N 0.479 119.146 118.700 -0.056 0.000 2.217 396 N HA 0.184 4.923 4.740 -0.001 0.000 0.239 396 N C -1.150 174.449 175.510 0.149 0.000 1.330 396 N CA -0.109 52.977 53.050 0.060 0.000 0.838 396 N CB 0.368 38.896 38.487 0.069 0.000 1.287 396 N HN 0.066 nan 8.380 nan 0.000 0.498 397 F N 3.620 123.521 119.950 -0.083 0.000 2.590 397 F HA 0.160 4.687 4.527 -0.001 0.000 0.389 397 F C -1.429 174.201 175.800 -0.282 0.000 1.049 397 F CA -1.990 55.932 58.000 -0.130 0.000 1.199 397 F CB -0.357 38.595 39.000 -0.080 0.000 1.058 397 F HN 0.060 nan 8.300 nan 0.000 0.556 398 P HA -0.078 nan 4.420 nan 0.000 0.265 398 P C -0.476 176.470 177.300 -0.590 0.000 1.167 398 P CA 0.244 62.899 63.100 -0.741 0.000 0.760 398 P CB 0.465 31.938 31.700 -0.377 0.000 0.783 399 V N 3.932 123.326 119.914 -0.866 0.000 2.394 399 V HA 0.116 4.235 4.120 -0.001 0.000 0.282 399 V C 1.574 177.653 176.094 -0.025 0.000 1.031 399 V CA -0.200 61.930 62.300 -0.283 0.000 0.881 399 V CB 1.433 33.114 31.823 -0.237 0.000 0.982 399 V HN 0.545 nan 8.190 nan 0.000 0.451 400 V N 1.652 121.573 119.914 0.012 0.000 3.565 400 V HA 0.728 4.847 4.120 -0.001 0.000 0.260 400 V C 0.639 176.767 176.094 0.056 0.000 1.231 400 V CA 1.026 63.342 62.300 0.028 0.000 1.100 400 V CB 0.219 32.023 31.823 -0.033 0.000 0.807 400 V HN 1.031 nan 8.190 nan 0.000 0.454 401 G N -0.805 108.061 108.800 0.109 0.000 2.556 401 G HA2 0.711 4.671 3.960 -0.001 0.000 0.294 401 G HA3 0.711 4.671 3.960 -0.001 0.000 0.294 401 G C -1.425 173.727 174.900 0.420 0.000 1.516 401 G CA -0.154 45.090 45.100 0.239 0.000 0.824 401 G HN 1.113 nan 8.290 nan 0.000 0.535 402 A N 0.840 123.980 122.820 0.534 0.000 2.385 402 A HA 0.822 5.141 4.320 -0.001 0.000 0.290 402 A C -0.409 177.460 177.584 0.474 0.000 1.094 402 A CA -0.442 51.899 52.037 0.508 0.000 0.729 402 A CB 1.579 20.821 19.000 0.402 0.000 1.194 402 A HN 0.659 nan 8.150 nan 0.000 0.442 403 E N 0.992 121.489 120.200 0.495 0.000 2.254 403 E HA 0.551 4.901 4.350 -0.001 0.000 0.261 403 E C -0.952 175.771 176.600 0.205 0.000 1.051 403 E CA -0.767 55.836 56.400 0.338 0.000 0.902 403 E CB 1.161 31.120 29.700 0.431 0.000 1.168 403 E HN 0.568 nan 8.360 nan 0.000 0.423 404 L N 2.998 124.303 121.223 0.137 0.000 2.305 404 L HA 0.211 4.550 4.340 -0.001 0.000 0.281 404 L C -0.904 176.011 176.870 0.075 0.000 1.085 404 L CA -0.385 54.508 54.840 0.088 0.000 0.813 404 L CB 0.963 43.056 42.059 0.058 0.000 1.157 404 L HN 0.459 nan 8.230 nan 0.000 0.436 405 L N 8.723 129.971 121.223 0.043 0.000 2.660 405 L HA 0.205 4.544 4.340 -0.001 0.000 0.272 405 L C -1.981 174.907 176.870 0.030 0.000 1.194 405 L CA -0.590 54.266 54.840 0.027 0.000 0.945 405 L CB -0.319 41.739 42.059 -0.001 0.000 1.212 405 L HN 0.513 nan 8.230 nan 0.000 0.490 406 P HA 0.146 nan 4.420 nan 0.000 0.244 406 P C -1.436 175.883 177.300 0.032 0.000 1.769 406 P CA 0.021 63.152 63.100 0.052 0.000 1.102 406 P CB -0.121 31.626 31.700 0.080 0.000 1.937 407 V N 1.643 121.579 119.914 0.036 0.000 2.711 407 V HA 0.528 4.647 4.120 -0.001 0.000 0.304 407 V C -0.302 175.844 176.094 0.087 0.000 1.097 407 V CA -0.790 61.527 62.300 0.028 0.000 0.906 407 V CB 1.996 33.791 31.823 -0.048 0.000 1.015 407 V HN 0.571 nan 8.190 nan 0.000 0.427 408 H N 1.755 120.783 119.070 -0.071 0.000 2.864 408 H HA 0.757 5.312 4.556 -0.001 0.000 0.354 408 H C -0.476 174.792 175.328 -0.100 0.000 1.208 408 H CA -0.237 55.766 56.048 -0.075 0.000 1.191 408 H CB 2.069 31.796 29.762 -0.058 0.000 1.889 408 H HN 0.821 nan 8.280 nan 0.000 0.574 409 S N 1.199 116.869 115.700 -0.049 0.000 2.452 409 S HA 0.290 4.760 4.470 -0.001 0.000 0.284 409 S C -0.259 174.160 174.600 -0.301 0.000 1.171 409 S CA -0.777 57.298 58.200 -0.208 0.000 1.064 409 S CB 0.369 63.490 63.200 -0.133 0.000 0.967 409 S HN 0.554 nan 8.310 nan 0.000 0.484 410 K N 3.408 123.541 120.400 -0.445 0.000 2.316 410 K HA 0.399 4.718 4.320 -0.001 0.000 0.267 410 K C -0.228 175.889 176.600 -0.805 0.000 1.025 410 K CA -0.351 55.655 56.287 -0.467 0.000 0.896 410 K CB 1.150 33.451 32.500 -0.331 0.000 1.124 410 K HN 0.774 nan 8.250 nan 0.000 0.451 411 S N 3.080 118.331 115.700 -0.748 0.000 2.585 411 S HA 0.658 5.127 4.470 -0.001 0.000 0.277 411 S C -0.357 173.562 174.600 -1.135 0.000 1.241 411 S CA -0.602 57.135 58.200 -0.772 0.000 1.041 411 S CB 0.398 63.388 63.200 -0.351 0.000 0.987 411 S HN 0.352 nan 8.310 nan 0.000 0.512 412 F N -0.148 119.809 119.950 0.012 0.000 2.664 412 F HA 0.570 5.097 4.527 -0.001 0.000 0.329 412 F C -0.611 175.272 175.800 0.139 0.000 1.090 412 F CA -1.301 56.729 58.000 0.050 0.000 0.978 412 F CB 1.066 40.085 39.000 0.032 0.000 1.378 412 F HN 0.606 nan 8.300 nan 0.000 0.495 413 Y N 1.232 121.628 120.300 0.160 0.000 2.409 413 Y HA 0.572 5.121 4.550 -0.001 0.000 0.339 413 Y C -0.860 175.087 175.900 0.078 0.000 1.033 413 Y CA -1.182 56.964 58.100 0.077 0.000 1.094 413 Y CB 1.469 39.953 38.460 0.040 0.000 1.210 413 Y HN 0.538 nan 8.280 nan 0.000 0.456 414 N N 3.317 121.940 118.700 -0.128 0.000 2.648 414 N HA 0.105 4.844 4.740 -0.001 0.000 0.272 414 N C -0.868 174.392 175.510 -0.417 0.000 1.118 414 N CA -0.288 52.650 53.050 -0.186 0.000 0.973 414 N CB 1.204 39.658 38.487 -0.054 0.000 1.565 414 N HN 0.720 nan 8.380 nan 0.000 0.542 415 D N 1.041 121.208 120.400 -0.388 0.000 2.355 415 D HA 0.046 4.685 4.640 -0.001 0.000 0.218 415 D C 0.653 176.675 176.300 -0.463 0.000 1.004 415 D CA 0.650 54.401 54.000 -0.416 0.000 0.880 415 D CB 0.528 41.167 40.800 -0.269 0.000 0.911 415 D HN 0.569 nan 8.370 nan 0.000 0.528 416 Q N -0.246 119.344 119.800 -0.349 0.000 2.491 416 Q HA 0.068 4.407 4.340 -0.001 0.000 0.214 416 Q C 1.598 177.417 176.000 -0.302 0.000 0.970 416 Q CA 0.117 55.691 55.803 -0.381 0.000 0.960 416 Q CB 0.264 28.994 28.738 -0.013 0.000 0.996 416 Q HN 0.181 nan 8.270 nan 0.000 0.524 417 A N 0.150 122.785 122.820 -0.310 0.000 2.014 417 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 417 A C 2.183 179.616 177.584 -0.252 0.000 1.163 417 A CA 0.766 52.664 52.037 -0.232 0.000 0.652 417 A CB -0.156 18.706 19.000 -0.231 0.000 0.808 417 A HN 0.229 nan 8.150 nan 0.000 0.449 418 V N -1.173 118.495 119.914 -0.410 0.000 2.307 418 V HA -0.241 3.878 4.120 -0.001 0.000 0.245 418 V C 1.731 177.684 176.094 -0.236 0.000 1.045 418 V CA 1.542 63.622 62.300 -0.367 0.000 1.024 418 V CB -1.043 30.485 31.823 -0.492 0.000 0.651 418 V HN 0.764 nan 8.190 nan 0.000 0.449 419 Y N 0.376 120.674 120.300 -0.004 0.000 2.596 419 Y HA 0.169 4.718 4.550 -0.001 0.000 0.316 419 Y C 2.277 178.193 175.900 0.026 0.000 1.156 419 Y CA 0.143 58.254 58.100 0.018 0.000 1.300 419 Y CB -0.606 37.870 38.460 0.027 0.000 1.130 419 Y HN 0.282 nan 8.280 nan 0.000 0.518 420 S N -0.445 115.263 115.700 0.014 0.000 2.399 420 S HA -0.252 4.218 4.470 -0.001 0.000 0.231 420 S C 1.664 176.312 174.600 0.080 0.000 1.022 420 S CA 1.038 59.258 58.200 0.034 0.000 0.983 420 S CB -0.188 63.004 63.200 -0.013 0.000 0.803 420 S HN 0.599 nan 8.310 nan 0.000 0.480 421 Q N 0.914 120.765 119.800 0.085 0.000 2.084 421 Q HA 0.047 4.386 4.340 -0.001 0.000 0.202 421 Q C 1.876 177.952 176.000 0.126 0.000 0.978 421 Q CA 1.464 57.328 55.803 0.102 0.000 0.844 421 Q CB -0.482 28.310 28.738 0.090 0.000 0.898 421 Q HN 0.588 nan 8.270 nan 0.000 0.426 422 L N 0.482 121.801 121.223 0.159 0.000 2.650 422 L HA -0.000 4.339 4.340 -0.001 0.000 0.235 422 L C 1.759 178.741 176.870 0.186 0.000 1.149 422 L CA -0.062 54.881 54.840 0.171 0.000 0.887 422 L CB -0.183 41.989 42.059 0.188 0.000 1.021 422 L HN 0.227 nan 8.230 nan 0.000 0.441 423 I N -0.390 120.273 120.570 0.156 0.000 2.188 423 I HA -0.181 3.989 4.170 -0.001 0.000 0.237 423 I C 2.588 178.786 176.117 0.134 0.000 1.073 423 I CA 0.903 62.285 61.300 0.137 0.000 1.359 423 I CB -0.166 37.900 38.000 0.109 0.000 1.083 423 I HN 0.267 nan 8.210 nan 0.000 0.412 424 R N 0.816 121.392 120.500 0.127 0.000 2.096 424 R HA -0.194 4.145 4.340 -0.001 0.000 0.235 424 R C 2.096 178.439 176.300 0.072 0.000 1.127 424 R CA 1.334 57.497 56.100 0.105 0.000 0.968 424 R CB -0.769 29.630 30.300 0.165 0.000 0.861 424 R HN 0.559 nan 8.270 nan 0.000 0.440 425 Q N -0.635 119.224 119.800 0.099 0.000 2.170 425 Q HA -0.062 4.277 4.340 -0.001 0.000 0.203 425 Q C 1.343 177.351 176.000 0.013 0.000 0.976 425 Q CA 1.300 57.122 55.803 0.031 0.000 0.858 425 Q CB 0.055 28.785 28.738 -0.013 0.000 0.907 425 Q HN 0.371 nan 8.270 nan 0.000 0.433 426 F N -1.456 118.502 119.950 0.014 0.000 2.682 426 F HA 0.096 4.623 4.527 -0.001 0.000 0.308 426 F C 1.918 177.712 175.800 -0.009 0.000 1.093 426 F CA -0.337 57.663 58.000 0.000 0.000 1.244 426 F CB 0.774 39.779 39.000 0.008 0.000 1.052 426 F HN -0.023 nan 8.300 nan 0.000 0.573 427 T N -1.092 113.556 114.554 0.158 0.000 2.614 427 T HA -0.165 4.184 4.350 -0.001 0.000 0.263 427 T C 1.682 176.401 174.700 0.032 0.000 1.055 427 T CA 1.968 64.112 62.100 0.073 0.000 1.162 427 T CB -0.159 68.742 68.868 0.053 0.000 0.863 427 T HN 0.133 nan 8.240 nan 0.000 0.414 428 S N -1.652 114.041 115.700 -0.011 0.000 2.506 428 S HA 0.213 4.682 4.470 -0.001 0.000 0.255 428 S C 0.085 174.608 174.600 -0.128 0.000 0.976 428 S CA -0.274 57.891 58.200 -0.058 0.000 1.493 428 S CB -0.095 63.055 63.200 -0.083 0.000 1.241 428 S HN 0.270 nan 8.310 nan 0.000 0.655 429 L N 2.324 123.439 121.223 -0.181 0.000 3.970 429 L HA -0.210 4.130 4.340 -0.001 0.000 0.425 429 L C 1.182 177.642 176.870 -0.683 0.000 1.162 429 L CA 1.774 56.375 54.840 -0.398 0.000 0.968 429 L CB -2.127 39.797 42.059 -0.224 0.000 1.896 429 L HN 0.619 nan 8.230 nan 0.000 1.006 430 T N -5.023 109.238 114.554 -0.490 0.000 2.937 430 T HA 0.022 4.372 4.350 -0.001 0.000 0.260 430 T C 0.987 175.524 174.700 -0.273 0.000 1.051 430 T CA 0.609 62.506 62.100 -0.340 0.000 1.141 430 T CB -0.272 68.455 68.868 -0.234 0.000 0.879 430 T HN 0.574 nan 8.240 nan 0.000 0.459 431 H N 0.166 119.183 119.070 -0.088 0.000 2.741 431 H HA -0.111 4.445 4.556 -0.001 0.000 0.305 431 H C 1.218 176.462 175.328 -0.140 0.000 1.169 431 H CA 0.529 56.530 56.048 -0.078 0.000 1.144 431 H CB -2.426 27.313 29.762 -0.039 0.000 1.397 431 H HN 0.355 nan 8.280 nan 0.000 0.409 432 V N -0.716 119.087 119.914 -0.184 0.000 2.427 432 V HA -0.173 3.946 4.120 -0.001 0.000 0.248 432 V C 1.876 177.826 176.094 -0.240 0.000 1.051 432 V CA 2.026 64.148 62.300 -0.297 0.000 1.048 432 V CB -0.429 31.090 31.823 -0.505 0.000 0.666 432 V HN 0.337 nan 8.190 nan 0.000 0.456 433 F N 0.974 120.924 119.950 -0.001 0.000 2.873 433 F HA 0.369 4.896 4.527 -0.001 0.000 0.289 433 F C 0.864 176.653 175.800 -0.019 0.000 1.206 433 F CA -0.117 57.876 58.000 -0.012 0.000 1.401 433 F CB -0.126 38.879 39.000 0.009 0.000 0.996 433 F HN 0.197 nan 8.300 nan 0.000 0.511 434 N N 0.592 119.325 118.700 0.056 0.000 2.776 434 N HA -0.000 4.739 4.740 -0.001 0.000 0.215 434 N C 0.733 176.192 175.510 -0.085 0.000 1.347 434 N CA -0.016 53.046 53.050 0.020 0.000 1.323 434 N CB 0.033 38.580 38.487 0.100 0.000 1.547 434 N HN -0.085 nan 8.380 nan 0.000 0.582 435 R N -0.225 120.076 120.500 -0.332 0.000 2.280 435 R HA 0.191 4.530 4.340 -0.001 0.000 0.207 435 R C -0.264 175.914 176.300 -0.202 0.000 1.043 435 R CA 0.823 56.664 56.100 -0.432 0.000 1.006 435 R CB -0.074 29.800 30.300 -0.710 0.000 0.885 435 R HN 0.343 nan 8.270 nan 0.000 0.467 436 F N 0.170 120.129 119.950 0.016 0.000 2.597 436 F HA 0.318 4.844 4.527 -0.001 0.000 0.336 436 F C -1.540 174.262 175.800 0.003 0.000 1.432 436 F CA -1.863 56.141 58.000 0.008 0.000 1.120 436 F CB 1.223 40.225 39.000 0.004 0.000 1.253 436 F HN -0.149 nan 8.300 nan 0.000 0.546 437 P HA -0.204 nan 4.420 nan 0.000 0.220 437 P C 1.177 178.515 177.300 0.064 0.000 1.148 437 P CA 1.551 64.676 63.100 0.042 0.000 0.803 437 P CB 0.290 31.937 31.700 -0.088 0.000 0.782 438 E N -0.330 119.917 120.200 0.079 0.000 2.076 438 E HA -0.084 4.265 4.350 -0.001 0.000 0.190 438 E C 0.967 177.642 176.600 0.124 0.000 0.979 438 E CA 0.368 56.818 56.400 0.083 0.000 0.807 438 E CB -1.358 28.382 29.700 0.068 0.000 0.761 438 E HN 0.192 nan 8.360 nan 0.000 0.454 439 N N 1.759 120.544 118.700 0.142 0.000 2.475 439 N HA -0.056 4.683 4.740 -0.001 0.000 0.267 439 N C 0.299 175.881 175.510 0.120 0.000 1.169 439 N CA 0.070 53.213 53.050 0.155 0.000 0.947 439 N CB 0.862 39.398 38.487 0.082 0.000 1.061 439 N HN 0.057 nan 8.380 nan 0.000 0.466 440 Q N 3.320 123.195 119.800 0.125 0.000 2.373 440 Q HA 0.088 4.428 4.340 -0.001 0.000 0.206 440 Q C 0.647 176.736 176.000 0.147 0.000 0.942 440 Q CA 0.261 56.167 55.803 0.171 0.000 0.953 440 Q CB 0.261 29.143 28.738 0.240 0.000 1.022 440 Q HN 0.686 nan 8.270 nan 0.000 0.502 441 I N -1.661 118.867 120.570 -0.071 0.000 3.534 441 I HA -0.086 4.084 4.170 -0.001 0.000 0.251 441 I C 1.120 177.137 176.117 -0.166 0.000 1.136 441 I CA 0.144 61.310 61.300 -0.224 0.000 1.475 441 I CB 0.010 37.707 38.000 -0.505 0.000 1.526 441 I HN -0.005 nan 8.210 nan 0.000 0.454 442 L N 1.635 122.767 121.223 -0.153 0.000 2.622 442 L HA 0.210 4.549 4.340 -0.001 0.000 0.233 442 L C 1.352 178.357 176.870 0.225 0.000 1.156 442 L CA 0.206 55.034 54.840 -0.019 0.000 0.866 442 L CB -2.321 39.627 42.059 -0.186 0.000 0.980 442 L HN 0.163 nan 8.230 nan 0.000 0.448 443 A N 1.299 124.206 122.820 0.145 0.000 2.504 443 A HA 0.048 4.367 4.320 -0.001 0.000 0.242 443 A C 0.957 178.618 177.584 0.128 0.000 1.100 443 A CA -0.273 51.858 52.037 0.156 0.000 0.786 443 A CB -0.020 19.055 19.000 0.125 0.000 1.050 443 A HN 0.504 nan 8.150 nan 0.000 0.512 444 R N 0.985 121.548 120.500 0.106 0.000 2.473 444 R HA 0.109 4.448 4.340 -0.001 0.000 0.315 444 R C -2.667 173.674 176.300 0.068 0.000 0.972 444 R CA -0.760 55.393 56.100 0.089 0.000 1.047 444 R CB -0.648 29.706 30.300 0.090 0.000 0.932 444 R HN 0.367 nan 8.270 nan 0.000 0.411 445 P HA 0.163 nan 4.420 nan 0.000 0.271 445 P C -2.311 174.984 177.300 -0.008 0.000 1.218 445 P CA -1.393 61.719 63.100 0.020 0.000 0.780 445 P CB 0.088 31.795 31.700 0.013 0.000 0.901 446 P HA 0.175 nan 4.420 nan 0.000 0.272 446 P C -0.690 176.556 177.300 -0.091 0.000 1.240 446 P CA -0.189 62.869 63.100 -0.070 0.000 0.791 446 P CB 0.509 32.143 31.700 -0.110 0.000 0.978 447 A N 1.955 124.714 122.820 -0.101 0.000 2.295 447 A HA 0.672 4.991 4.320 -0.001 0.000 0.318 447 A C -2.335 175.163 177.584 -0.142 0.000 1.134 447 A CA -1.642 50.332 52.037 -0.105 0.000 0.827 447 A CB -0.536 18.415 19.000 -0.083 0.000 1.136 447 A HN 0.371 nan 8.150 nan 0.000 0.493 448 P HA 0.280 nan 4.420 nan 0.000 0.276 448 P C 0.879 178.113 177.300 -0.111 0.000 1.252 448 P CA -0.174 62.862 63.100 -0.106 0.000 0.802 448 P CB 0.729 32.424 31.700 -0.008 0.000 1.035 449 T N -1.318 113.172 114.554 -0.108 0.000 2.951 449 T HA -0.011 4.338 4.350 -0.001 0.000 0.268 449 T C 0.895 175.532 174.700 -0.105 0.000 1.073 449 T CA 0.973 62.935 62.100 -0.229 0.000 1.134 449 T CB -0.785 67.952 68.868 -0.217 0.000 0.884 449 T HN 0.400 nan 8.240 nan 0.000 0.479 450 I N 1.015 121.621 120.570 0.060 0.000 2.405 450 I HA 0.488 4.657 4.170 -0.001 0.000 0.280 450 I C -0.877 175.262 176.117 0.037 0.000 1.027 450 I CA -0.893 60.470 61.300 0.105 0.000 1.161 450 I CB 1.491 39.544 38.000 0.089 0.000 1.300 450 I HN -0.269 nan 8.210 nan 0.000 0.463 451 T N 3.984 118.576 114.554 0.064 0.000 2.799 451 T HA 0.502 4.851 4.350 -0.001 0.000 0.286 451 T C 0.421 175.132 174.700 0.018 0.000 0.973 451 T CA -0.489 61.645 62.100 0.056 0.000 1.035 451 T CB 1.300 70.222 68.868 0.090 0.000 0.932 451 T HN 0.765 nan 8.240 nan 0.000 0.469 452 T N 0.038 114.565 114.554 -0.046 0.000 2.859 452 T HA 0.723 5.073 4.350 -0.001 0.000 0.281 452 T C -0.482 174.178 174.700 -0.066 0.000 1.005 452 T CA -0.732 61.294 62.100 -0.124 0.000 1.025 452 T CB 1.035 69.814 68.868 -0.148 0.000 0.977 452 T HN 0.297 nan 8.240 nan 0.000 0.458 453 V N 3.045 122.910 119.914 -0.083 0.000 2.588 453 V HA 0.470 4.589 4.120 -0.001 0.000 0.304 453 V C 0.424 176.344 176.094 -0.291 0.000 1.042 453 V CA -1.118 61.098 62.300 -0.140 0.000 0.877 453 V CB 2.079 33.889 31.823 -0.021 0.000 0.996 453 V HN 1.165 nan 8.190 nan 0.000 0.425 454 S N 2.712 118.168 115.700 -0.406 0.000 2.519 454 S HA 0.166 4.635 4.470 -0.001 0.000 0.320 454 S C -0.148 174.185 174.600 -0.446 0.000 1.179 454 S CA -0.210 57.758 58.200 -0.388 0.000 1.173 454 S CB -0.138 62.865 63.200 -0.330 0.000 1.224 454 S HN 0.845 nan 8.310 nan 0.000 0.542 455 E N 3.521 123.508 120.200 -0.354 0.000 2.146 455 E HA 0.156 4.505 4.350 -0.001 0.000 0.282 455 E C -0.380 176.129 176.600 -0.151 0.000 0.989 455 E CA -0.708 55.531 56.400 -0.270 0.000 0.799 455 E CB 0.512 30.046 29.700 -0.276 0.000 1.088 455 E HN 0.622 nan 8.360 nan 0.000 0.397 456 N N 2.590 121.227 118.700 -0.106 0.000 2.492 456 N HA 0.138 4.878 4.740 -0.001 0.000 0.260 456 N C -1.105 174.405 175.510 -0.001 0.000 1.215 456 N CA 0.150 53.153 53.050 -0.079 0.000 0.923 456 N CB 1.635 40.024 38.487 -0.163 0.000 1.092 456 N HN 0.277 nan 8.380 nan 0.000 0.448 457 V N 3.751 123.697 119.914 0.054 0.000 2.971 457 V HA 0.422 4.541 4.120 -0.001 0.000 0.309 457 V C -2.429 173.777 176.094 0.187 0.000 1.130 457 V CA -1.924 60.462 62.300 0.144 0.000 0.964 457 V CB 2.535 34.463 31.823 0.175 0.000 1.029 457 V HN 0.530 nan 8.190 nan 0.000 0.427 458 P HA 0.278 nan 4.420 nan 0.000 0.266 458 P C -0.899 176.492 177.300 0.152 0.000 1.215 458 P CA 0.151 63.392 63.100 0.236 0.000 0.763 458 P CB 0.910 32.694 31.700 0.140 0.000 0.806 459 A N 4.645 127.566 122.820 0.168 0.000 2.304 459 A HA 0.597 4.916 4.320 -0.001 0.000 0.323 459 A C -0.408 177.274 177.584 0.164 0.000 1.195 459 A CA -0.536 51.590 52.037 0.147 0.000 0.826 459 A CB 0.273 19.370 19.000 0.162 0.000 1.184 459 A HN 0.454 nan 8.150 nan 0.000 0.496 460 L N 1.662 122.957 121.223 0.120 0.000 2.481 460 L HA 0.586 4.925 4.340 -0.001 0.000 0.255 460 L C -0.048 176.868 176.870 0.077 0.000 1.192 460 L CA -0.560 54.343 54.840 0.104 0.000 0.924 460 L CB 0.200 42.301 42.059 0.070 0.000 1.179 460 L HN 0.541 nan 8.230 nan 0.000 0.491 461 T N -3.076 111.535 114.554 0.094 0.000 2.876 461 T HA 0.525 4.874 4.350 -0.001 0.000 0.289 461 T C -0.710 173.985 174.700 -0.007 0.000 1.014 461 T CA -0.554 61.553 62.100 0.012 0.000 0.986 461 T CB 2.368 71.210 68.868 -0.044 0.000 1.021 461 T HN 0.338 nan 8.240 nan 0.000 0.458 462 D N 0.628 120.999 120.400 -0.049 0.000 2.336 462 D HA 0.166 4.805 4.640 -0.001 0.000 0.249 462 D C 0.348 176.594 176.300 -0.090 0.000 1.213 462 D CA -0.038 53.948 54.000 -0.022 0.000 0.870 462 D CB 0.723 41.517 40.800 -0.010 0.000 1.076 462 D HN 0.681 nan 8.370 nan 0.000 0.483 463 H N 2.006 121.057 119.070 -0.032 0.000 2.551 463 H HA 0.253 4.808 4.556 -0.001 0.000 0.266 463 H C 1.368 176.688 175.328 -0.012 0.000 0.977 463 H CA 0.807 56.843 56.048 -0.021 0.000 1.163 463 H CB 0.421 30.141 29.762 -0.069 0.000 1.381 463 H HN 0.715 nan 8.280 nan 0.000 0.581 464 G N -0.256 108.586 108.800 0.071 0.000 2.548 464 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.208 464 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.208 464 G C -0.514 174.408 174.900 0.037 0.000 1.308 464 G CA -0.422 44.703 45.100 0.042 0.000 0.924 464 G HN 0.249 nan 8.290 nan 0.000 0.540 465 T N 0.918 115.491 114.554 0.031 0.000 2.756 465 T HA 0.656 5.006 4.350 -0.001 0.000 0.290 465 T C 0.246 174.966 174.700 0.033 0.000 0.985 465 T CA -0.290 61.828 62.100 0.030 0.000 0.955 465 T CB 1.279 70.165 68.868 0.029 0.000 0.930 465 T HN 0.627 nan 8.240 nan 0.000 0.451 466 L N 4.698 125.940 121.223 0.032 0.000 2.330 466 L HA 0.545 4.884 4.340 -0.001 0.000 0.271 466 L C -2.056 174.843 176.870 0.048 0.000 1.013 466 L CA -2.791 52.069 54.840 0.034 0.000 0.816 466 L CB 1.657 43.725 42.059 0.017 0.000 1.287 466 L HN 0.347 nan 8.230 nan 0.000 0.435 467 P HA 0.082 nan 4.420 nan 0.000 0.269 467 P C -1.160 176.189 177.300 0.081 0.000 1.209 467 P CA -0.224 62.926 63.100 0.084 0.000 0.776 467 P CB 1.155 32.900 31.700 0.075 0.000 0.876 468 L N 2.657 123.951 121.223 0.118 0.000 2.385 468 L HA 0.428 4.767 4.340 -0.001 0.000 0.273 468 L C 0.280 177.197 176.870 0.079 0.000 0.990 468 L CA -0.995 53.892 54.840 0.079 0.000 0.821 468 L CB 1.500 43.606 42.059 0.078 0.000 1.279 468 L HN 0.335 nan 8.230 nan 0.000 0.412 469 R N 2.283 122.796 120.500 0.022 0.000 2.543 469 R HA 0.152 4.491 4.340 -0.001 0.000 0.277 469 R C -0.046 176.231 176.300 -0.039 0.000 1.074 469 R CA -0.205 55.898 56.100 0.005 0.000 1.076 469 R CB 0.691 30.983 30.300 -0.014 0.000 0.993 469 R HN 0.677 nan 8.270 nan 0.000 0.459 470 N N 0.445 119.119 118.700 -0.042 0.000 2.314 470 N HA 0.008 4.747 4.740 -0.001 0.000 0.200 470 N C -1.080 174.363 175.510 -0.111 0.000 1.135 470 N CA -0.016 52.977 53.050 -0.095 0.000 0.835 470 N CB 0.799 39.261 38.487 -0.042 0.000 0.989 470 N HN 0.388 nan 8.380 nan 0.000 0.478 471 S N -0.091 115.557 115.700 -0.087 0.000 2.571 471 S HA 0.464 4.934 4.470 -0.001 0.000 0.238 471 S C -0.630 173.926 174.600 -0.074 0.000 1.153 471 S CA -0.789 57.364 58.200 -0.078 0.000 1.141 471 S CB 0.196 63.362 63.200 -0.056 0.000 1.133 471 S HN 0.047 nan 8.310 nan 0.000 0.464 472 I N 2.785 123.304 120.570 -0.085 0.000 2.307 472 I HA 0.487 4.656 4.170 -0.001 0.000 0.289 472 I C 1.096 177.174 176.117 -0.065 0.000 1.021 472 I CA -0.312 60.938 61.300 -0.082 0.000 1.224 472 I CB 1.151 39.087 38.000 -0.106 0.000 1.376 472 I HN 0.800 nan 8.210 nan 0.000 0.470 473 G N 3.699 112.464 108.800 -0.058 0.000 2.484 473 G HA2 0.228 4.187 3.960 -0.001 0.000 0.235 473 G HA3 0.228 4.187 3.960 -0.001 0.000 0.235 473 G C 0.988 175.862 174.900 -0.045 0.000 1.282 473 G CA -0.292 44.780 45.100 -0.046 0.000 0.857 473 G HN 0.884 nan 8.290 nan 0.000 0.571 474 G N -0.640 108.139 108.800 -0.034 0.000 3.234 474 G HA2 0.317 4.276 3.960 -0.001 0.000 0.221 474 G HA3 0.317 4.276 3.960 -0.001 0.000 0.221 474 G C 0.337 175.225 174.900 -0.020 0.000 1.229 474 G CA 0.690 45.771 45.100 -0.032 0.000 0.909 474 G HN 1.337 nan 8.290 nan 0.000 0.510 475 V N -2.813 117.087 119.914 -0.024 0.000 2.666 475 V HA 0.345 4.464 4.120 -0.001 0.000 0.261 475 V C -0.700 175.376 176.094 -0.029 0.000 0.892 475 V CA -1.274 61.019 62.300 -0.012 0.000 0.937 475 V CB 0.392 32.213 31.823 -0.002 0.000 1.063 475 V HN -0.022 nan 8.190 nan 0.000 0.494 476 Q N 1.944 121.717 119.800 -0.045 0.000 2.299 476 Q HA 0.508 4.847 4.340 -0.001 0.000 0.246 476 Q C -0.252 175.692 176.000 -0.094 0.000 0.935 476 Q CA -0.000 55.756 55.803 -0.078 0.000 0.887 476 Q CB 2.197 30.878 28.738 -0.094 0.000 1.223 476 Q HN 0.727 nan 8.270 nan 0.000 0.439 477 R N 0.819 121.257 120.500 -0.103 0.000 2.338 477 R HA 0.494 4.833 4.340 -0.001 0.000 0.317 477 R C -1.111 175.105 176.300 -0.140 0.000 0.968 477 R CA -0.406 55.640 56.100 -0.088 0.000 0.849 477 R CB 0.961 31.267 30.300 0.010 0.000 1.128 477 R HN 0.316 nan 8.270 nan 0.000 0.448 478 V N 2.791 122.531 119.914 -0.289 0.000 2.459 478 V HA 0.511 4.630 4.120 -0.001 0.000 0.295 478 V C -0.247 175.847 176.094 0.001 0.000 1.029 478 V CA -0.655 61.483 62.300 -0.270 0.000 0.874 478 V CB 1.902 33.330 31.823 -0.657 0.000 0.985 478 V HN 0.772 nan 8.190 nan 0.000 0.438 479 T N 5.742 120.391 114.554 0.159 0.000 3.050 479 T HA 0.472 4.821 4.350 -0.001 0.000 0.310 479 T C -0.454 174.316 174.700 0.117 0.000 0.978 479 T CA -0.244 61.963 62.100 0.178 0.000 1.013 479 T CB 0.786 69.804 68.868 0.249 0.000 1.000 479 T HN 0.516 nan 8.240 nan 0.000 0.447 480 I N 3.229 123.792 120.570 -0.011 0.000 2.282 480 I HA 0.305 4.474 4.170 -0.001 0.000 0.290 480 I C 1.053 177.125 176.117 -0.076 0.000 1.090 480 I CA -0.600 60.591 61.300 -0.182 0.000 1.231 480 I CB -0.010 37.754 38.000 -0.393 0.000 1.434 480 I HN 0.543 nan 8.210 nan 0.000 0.487 481 T N 3.751 118.304 114.554 -0.002 0.000 2.847 481 T HA 0.258 4.607 4.350 -0.001 0.000 0.279 481 T C 0.046 174.710 174.700 -0.060 0.000 0.984 481 T CA -0.451 61.654 62.100 0.008 0.000 0.988 481 T CB 2.048 70.969 68.868 0.089 0.000 1.040 481 T HN 0.735 nan 8.240 nan 0.000 0.528 482 D N 0.332 120.678 120.400 -0.091 0.000 2.595 482 D HA 0.361 5.000 4.640 -0.001 0.000 0.268 482 D C 1.195 177.240 176.300 -0.425 0.000 1.181 482 D CA -0.420 53.476 54.000 -0.174 0.000 1.085 482 D CB 1.277 42.123 40.800 0.078 0.000 1.186 482 D HN 0.641 nan 8.370 nan 0.000 0.621 483 A N -0.569 122.030 122.820 -0.368 0.000 2.248 483 A HA -0.058 4.261 4.320 -0.001 0.000 0.210 483 A C 1.678 179.209 177.584 -0.088 0.000 1.174 483 A CA 0.584 52.413 52.037 -0.347 0.000 0.750 483 A CB -0.461 18.435 19.000 -0.173 0.000 0.780 483 A HN 0.429 nan 8.150 nan 0.000 0.478 484 R N -1.144 119.345 120.500 -0.020 0.000 2.662 484 R HA 0.223 4.562 4.340 -0.001 0.000 0.396 484 R C -0.297 176.039 176.300 0.061 0.000 1.096 484 R CA -0.364 55.773 56.100 0.062 0.000 1.081 484 R CB 0.048 30.408 30.300 0.101 0.000 1.382 484 R HN 0.454 nan 8.270 nan 0.000 0.580 485 R N 1.509 122.042 120.500 0.056 0.000 3.301 485 R HA -0.203 4.136 4.340 -0.001 0.000 0.249 485 R C -0.684 175.604 176.300 -0.020 0.000 0.964 485 R CA 0.932 57.072 56.100 0.068 0.000 0.653 485 R CB -0.688 29.689 30.300 0.128 0.000 1.043 485 R HN 0.154 nan 8.270 nan 0.000 0.454 486 R N -0.509 119.957 120.500 -0.057 0.000 2.803 486 R HA 0.251 4.590 4.340 -0.001 0.000 0.276 486 R C 0.076 176.246 176.300 -0.216 0.000 0.978 486 R CA -0.669 55.325 56.100 -0.177 0.000 0.939 486 R CB 1.766 31.901 30.300 -0.275 0.000 1.179 486 R HN 0.110 nan 8.270 nan 0.000 0.472 487 T N -0.205 114.195 114.554 -0.257 0.000 2.940 487 T HA 0.000 4.350 4.350 -0.001 0.000 0.309 487 T C 0.045 174.597 174.700 -0.247 0.000 1.056 487 T CA -0.094 61.884 62.100 -0.203 0.000 1.137 487 T CB 0.172 68.933 68.868 -0.179 0.000 0.976 487 T HN 0.588 nan 8.240 nan 0.000 0.547 488 C N 8.420 127.652 119.300 -0.113 0.000 2.265 488 C HA 0.631 5.090 4.460 -0.001 0.000 0.332 488 C C -1.978 172.980 174.990 -0.053 0.000 1.248 488 C CA -1.834 57.174 59.018 -0.018 0.000 1.727 488 C CB 0.124 27.919 27.740 0.091 0.000 2.348 488 C HN 0.779 nan 8.230 nan 0.000 0.519 489 P HA 0.222 nan 4.420 nan 0.000 0.243 489 P C -0.508 176.534 177.300 -0.429 0.000 1.672 489 P CA 0.415 63.343 63.100 -0.286 0.000 1.000 489 P CB -0.416 31.058 31.700 -0.377 0.000 1.562 490 Y N -1.788 118.501 120.300 -0.018 0.000 2.500 490 Y HA 0.159 4.708 4.550 -0.001 0.000 0.246 490 Y C 0.776 176.708 175.900 0.053 0.000 1.146 490 Y CA -0.238 57.868 58.100 0.009 0.000 1.230 490 Y CB 0.975 39.455 38.460 0.034 0.000 1.214 490 Y HN -0.306 nan 8.280 nan 0.000 0.526 491 V N 1.622 121.615 119.914 0.132 0.000 2.356 491 V HA -0.049 4.070 4.120 -0.001 0.000 0.258 491 V C 0.418 176.590 176.094 0.129 0.000 1.065 491 V CA 0.395 62.772 62.300 0.129 0.000 0.935 491 V CB -0.354 31.516 31.823 0.077 0.000 1.061 491 V HN 0.440 nan 8.190 nan 0.000 0.484 492 Y N 3.029 123.283 120.300 -0.077 0.000 2.397 492 Y HA 0.135 4.685 4.550 -0.001 0.000 0.292 492 Y C 1.499 177.013 175.900 -0.642 0.000 1.115 492 Y CA 0.487 58.401 58.100 -0.311 0.000 1.208 492 Y CB 0.670 39.070 38.460 -0.101 0.000 1.046 492 Y HN 0.427 nan 8.280 nan 0.000 0.552 493 K N 0.711 121.057 120.400 -0.090 0.000 2.579 493 K HA 0.621 4.940 4.320 -0.001 0.000 0.250 493 K C -1.535 175.147 176.600 0.136 0.000 0.952 493 K CA -0.458 55.788 56.287 -0.067 0.000 0.857 493 K CB 1.236 33.694 32.500 -0.072 0.000 1.123 493 K HN 0.003 nan 8.250 nan 0.000 0.433 494 A N 3.787 126.756 122.820 0.248 0.000 2.355 494 A HA 0.879 5.199 4.320 -0.001 0.000 0.324 494 A C -1.691 176.185 177.584 0.488 0.000 1.117 494 A CA -0.664 51.632 52.037 0.431 0.000 0.785 494 A CB 1.037 20.346 19.000 0.516 0.000 1.254 494 A HN 0.634 nan 8.150 nan 0.000 0.453 495 L N 0.632 122.145 121.223 0.484 0.000 2.469 495 L HA 0.878 5.217 4.340 -0.001 0.000 0.256 495 L C -0.181 176.807 176.870 0.196 0.000 1.006 495 L CA 0.172 55.201 54.840 0.316 0.000 0.832 495 L CB 2.282 44.462 42.059 0.202 0.000 1.421 495 L HN 1.081 nan 8.230 nan 0.000 0.410 496 G N 3.082 111.953 108.800 0.119 0.000 2.741 496 G HA2 0.643 4.603 3.960 -0.001 0.000 0.293 496 G HA3 0.643 4.603 3.960 -0.001 0.000 0.293 496 G C -1.725 173.218 174.900 0.071 0.000 1.457 496 G CA -0.284 44.821 45.100 0.009 0.000 1.098 496 G HN 0.506 nan 8.290 nan 0.000 0.536 497 I N 2.343 122.938 120.570 0.042 0.000 2.410 497 I HA 0.377 4.547 4.170 -0.001 0.000 0.286 497 I C -0.425 175.689 176.117 -0.005 0.000 1.009 497 I CA -1.038 60.321 61.300 0.099 0.000 1.111 497 I CB 2.145 40.235 38.000 0.150 0.000 1.262 497 I HN 0.116 nan 8.210 nan 0.000 0.443 498 V N 4.237 124.122 119.914 -0.047 0.000 2.513 498 V HA 0.452 4.571 4.120 -0.001 0.000 0.299 498 V C -0.012 176.021 176.094 -0.102 0.000 1.035 498 V CA -0.556 61.696 62.300 -0.081 0.000 0.889 498 V CB 1.739 33.501 31.823 -0.101 0.000 0.988 498 V HN 0.762 nan 8.190 nan 0.000 0.440 499 S N 5.517 121.182 115.700 -0.058 0.000 2.406 499 S HA 0.395 4.864 4.470 -0.001 0.000 0.224 499 S C -2.663 171.941 174.600 0.006 0.000 1.426 499 S CA -1.097 57.078 58.200 -0.041 0.000 1.179 499 S CB 0.838 64.030 63.200 -0.013 0.000 1.042 499 S HN 0.620 nan 8.310 nan 0.000 0.479 500 P HA 0.284 nan 4.420 nan 0.000 0.271 500 P C -0.435 177.038 177.300 0.288 0.000 1.216 500 P CA -0.250 62.905 63.100 0.091 0.000 0.776 500 P CB 0.520 32.159 31.700 -0.102 0.000 0.881 501 R N 0.404 121.183 120.500 0.464 0.000 2.663 501 R HA 0.564 4.904 4.340 -0.001 0.000 0.267 501 R C -0.612 175.753 176.300 0.108 0.000 1.038 501 R CA -1.195 55.108 56.100 0.340 0.000 0.886 501 R CB 0.386 30.767 30.300 0.136 0.000 1.249 501 R HN 0.135 nan 8.270 nan 0.000 0.463 502 V N 0.541 120.269 119.914 -0.310 0.000 3.096 502 V HA 0.175 4.294 4.120 -0.001 0.000 0.306 502 V C 0.368 176.304 176.094 -0.262 0.000 1.088 502 V CA -0.530 61.420 62.300 -0.584 0.000 1.129 502 V CB 0.571 32.061 31.823 -0.556 0.000 1.014 502 V HN 0.684 nan 8.190 nan 0.000 0.486 503 L N 1.046 122.122 121.223 -0.245 0.000 3.066 503 L HA 0.278 4.617 4.340 -0.001 0.000 0.272 503 L C 0.953 177.775 176.870 -0.079 0.000 1.101 503 L CA 1.261 56.038 54.840 -0.105 0.000 1.022 503 L CB 0.035 42.076 42.059 -0.030 0.000 1.600 503 L HN 1.079 nan 8.230 nan 0.000 0.559 504 S N -2.273 113.373 115.700 -0.090 0.000 4.078 504 S HA 0.738 5.207 4.470 -0.001 0.000 0.290 504 S C -0.113 174.455 174.600 -0.054 0.000 1.069 504 S CA -0.242 57.932 58.200 -0.044 0.000 1.246 504 S CB 2.462 65.667 63.200 0.008 0.000 1.659 504 S HN -0.051 nan 8.310 nan 0.000 0.624 505 S N -0.841 114.859 115.700 0.000 0.000 2.873 505 S HA 0.587 5.056 4.470 -0.001 0.000 0.303 505 S C -1.177 173.458 174.600 0.058 0.000 1.222 505 S CA -0.832 57.368 58.200 -0.000 0.000 0.923 505 S CB 1.259 64.449 63.200 -0.018 0.000 1.286 505 S HN 0.585 nan 8.310 nan 0.000 0.571 506 R N 1.093 121.616 120.500 0.038 0.000 2.997 506 R HA 0.580 4.919 4.340 -0.001 0.000 0.358 506 R C -0.187 176.132 176.300 0.032 0.000 1.191 506 R CA 0.531 56.667 56.100 0.059 0.000 1.113 506 R CB 0.323 30.666 30.300 0.071 0.000 1.433 506 R HN 0.841 nan 8.270 nan 0.000 0.584 507 T N 0.000 114.565 114.554 0.018 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