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 3he3_1_E DATA FIRST_RESID 26 DATA SEQUENCE ESKGFDYLIV GAGFAGSVLA ERLASSGQRV LIVDRRPHIG GNAYDCYDDA DATA SEQUENCE GVLIHPYGPH IFHTNSKDVF EYLSRFTEWR PYQHRVLASV DGQLLPIPIN DATA SEQUENCE LDTVNRLYGL NLTSFQVEEF FASVAEKVEQ VRTSEDVVVS KVGRDLYNKF DATA SEQUENCE FRGYTRKQWG LDPSELDASV TARVPTRTNR DNRYFADTYQ AMPLHGYTRM DATA SEQUENCE FQNMLSSPNI KVMLNTDYRE IADFIPFQHM IYTGPVDAFF DFCYGKLPYR DATA SEQUENCE SLEFRHETHD TEQLLPTGTV NYPNDYAYTR VSEFKHITGQ RHHQTSVVYE DATA SEQUENCE YPRAEGDPYY PVPRPENAEL YKKYEALADA AQDVTFVGRL ATYRYYNMDQ DATA SEQUENCE VVAQALATFR RLQG 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 26 E HA 0.000 nan 4.350 nan 0.000 0.291 26 E C 0.000 176.592 176.600 -0.014 0.000 1.382 26 E CA 0.000 56.397 56.400 -0.006 0.000 0.976 26 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 27 S N -0.400 115.287 115.700 -0.021 0.000 2.672 27 S HA 0.437 4.907 4.470 -0.000 0.000 0.271 27 S C -1.781 172.792 174.600 -0.044 0.000 1.171 27 S CA -0.765 57.419 58.200 -0.027 0.000 0.817 27 S CB 1.298 64.483 63.200 -0.025 0.000 1.150 27 S HN 0.111 nan 8.310 nan 0.000 0.478 28 K N 1.401 121.774 120.400 -0.045 0.000 2.414 28 K HA 0.481 4.801 4.320 -0.000 0.000 0.272 28 K C 0.990 177.534 176.600 -0.093 0.000 0.993 28 K CA 0.884 57.131 56.287 -0.067 0.000 0.964 28 K CB -0.111 32.365 32.500 -0.040 0.000 0.925 28 K HN 1.148 nan 8.250 nan 0.000 0.487 29 G N 1.545 110.224 108.800 -0.202 0.000 2.481 29 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.230 29 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.230 29 G C -0.989 173.605 174.900 -0.510 0.000 1.210 29 G CA -0.638 44.265 45.100 -0.328 0.000 0.936 29 G HN 0.392 nan 8.290 nan 0.000 0.583 30 F N 0.822 120.837 119.950 0.108 0.000 2.561 30 F HA 0.554 5.081 4.527 -0.000 0.000 0.321 30 F C 1.043 176.906 175.800 0.104 0.000 1.065 30 F CA -0.538 57.530 58.000 0.114 0.000 0.934 30 F CB 1.885 40.963 39.000 0.131 0.000 1.215 30 F HN 0.351 nan 8.300 nan 0.000 0.471 31 D N 0.405 120.967 120.400 0.269 0.000 2.117 31 D HA -0.131 4.508 4.640 -0.000 0.000 0.198 31 D C -0.336 175.926 176.300 -0.063 0.000 0.982 31 D CA 1.955 55.998 54.000 0.072 0.000 0.828 31 D CB -0.005 40.860 40.800 0.108 0.000 0.967 31 D HN 0.310 nan 8.370 nan 0.000 0.464 32 Y N -0.645 119.816 120.300 0.269 0.000 2.425 32 Y HA 0.413 4.963 4.550 -0.000 0.000 0.344 32 Y C -0.504 175.449 175.900 0.089 0.000 0.969 32 Y CA -1.209 57.020 58.100 0.215 0.000 1.052 32 Y CB 2.041 40.592 38.460 0.151 0.000 1.215 32 Y HN -0.253 nan 8.280 nan 0.000 0.451 33 L N 5.280 126.581 121.223 0.130 0.000 2.316 33 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 33 L C -1.357 175.397 176.870 -0.193 0.000 1.006 33 L CA -0.518 54.187 54.840 -0.226 0.000 0.836 33 L CB 0.359 41.944 42.059 -0.791 0.000 1.221 33 L HN 0.484 nan 8.230 nan 0.000 0.418 34 I N 5.945 126.408 120.570 -0.178 0.000 2.321 34 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 34 I C -0.502 175.478 176.117 -0.228 0.000 0.998 34 I CA -0.957 60.241 61.300 -0.169 0.000 1.227 34 I CB 1.662 39.584 38.000 -0.130 0.000 1.368 34 I HN 0.238 nan 8.210 nan 0.000 0.466 35 V N 5.594 125.348 119.914 -0.268 0.000 2.334 35 V HA 0.709 4.829 4.120 -0.000 0.000 0.267 35 V C 0.529 176.423 176.094 -0.333 0.000 1.040 35 V CA -0.265 61.856 62.300 -0.299 0.000 0.866 35 V CB 0.437 32.026 31.823 -0.389 0.000 1.019 35 V HN 1.097 nan 8.190 nan 0.000 0.468 36 G N 4.147 112.786 108.800 -0.269 0.000 3.233 36 G HA2 0.308 4.268 3.960 -0.000 0.000 0.686 36 G HA3 0.308 4.268 3.960 -0.000 0.000 0.686 36 G C -0.204 174.555 174.900 -0.236 0.000 1.153 36 G CA -0.283 44.655 45.100 -0.270 0.000 0.853 36 G HN 1.373 nan 8.290 nan 0.000 0.582 37 A N 1.510 124.173 122.820 -0.262 0.000 2.713 37 A HA 0.785 5.105 4.320 -0.000 0.000 0.296 37 A C 1.373 178.730 177.584 -0.379 0.000 1.255 37 A CA 1.153 53.024 52.037 -0.275 0.000 0.955 37 A CB -0.176 18.654 19.000 -0.284 0.000 1.149 37 A HN 2.079 nan 8.150 nan 0.000 0.538 38 G N -1.221 107.402 108.800 -0.295 0.000 2.531 38 G HA2 0.406 4.366 3.960 -0.000 0.000 0.253 38 G HA3 0.406 4.366 3.960 -0.000 0.000 0.253 38 G C 0.605 175.482 174.900 -0.039 0.000 1.439 38 G CA -0.432 44.485 45.100 -0.305 0.000 1.056 38 G HN 0.175 nan 8.290 nan 0.000 0.555 39 F N 0.732 120.802 119.950 0.200 0.000 2.095 39 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 39 F C 3.114 178.990 175.800 0.126 0.000 1.104 39 F CA 1.762 59.926 58.000 0.274 0.000 1.232 39 F CB -0.155 38.980 39.000 0.225 0.000 0.987 39 F HN 0.343 nan 8.300 nan 0.000 0.475 40 A N 0.292 123.269 122.820 0.261 0.000 1.859 40 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 40 A C 2.487 180.103 177.584 0.052 0.000 1.198 40 A CA 2.149 54.265 52.037 0.131 0.000 0.629 40 A CB -1.683 17.366 19.000 0.082 0.000 0.830 40 A HN 0.430 nan 8.150 nan 0.000 0.446 41 G N -1.452 107.342 108.800 -0.009 0.000 2.402 41 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.216 41 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.216 41 G C 1.816 176.686 174.900 -0.050 0.000 1.162 41 G CA 1.276 46.335 45.100 -0.068 0.000 0.777 41 G HN 0.495 nan 8.290 nan 0.000 0.539 42 S N -0.152 115.545 115.700 -0.005 0.000 2.406 42 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 42 S C 2.502 177.095 174.600 -0.011 0.000 1.020 42 S CA 0.833 59.036 58.200 0.005 0.000 0.965 42 S CB -0.064 63.215 63.200 0.131 0.000 0.798 42 S HN 0.174 nan 8.310 nan 0.000 0.488 43 V N 2.043 121.989 119.914 0.053 0.000 2.295 43 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 43 V C 2.184 178.235 176.094 -0.071 0.000 1.049 43 V CA 1.548 63.879 62.300 0.052 0.000 1.024 43 V CB -0.624 31.257 31.823 0.098 0.000 0.648 43 V HN 0.396 nan 8.190 nan 0.000 0.447 44 L N -0.032 121.141 121.223 -0.083 0.000 2.046 44 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 44 L C 2.713 179.475 176.870 -0.180 0.000 1.077 44 L CA 1.608 56.360 54.840 -0.146 0.000 0.747 44 L CB -0.743 41.260 42.059 -0.094 0.000 0.896 44 L HN 0.356 nan 8.230 nan 0.000 0.432 45 A N -0.655 122.088 122.820 -0.129 0.000 1.948 45 A HA -0.270 4.049 4.320 -0.000 0.000 0.220 45 A C 2.331 179.849 177.584 -0.110 0.000 1.177 45 A CA 2.016 53.985 52.037 -0.114 0.000 0.636 45 A CB -0.494 18.448 19.000 -0.096 0.000 0.815 45 A HN 0.448 nan 8.150 nan 0.000 0.449 46 E N -0.297 119.831 120.200 -0.121 0.000 2.107 46 E HA -0.150 4.199 4.350 -0.000 0.000 0.191 46 E C 2.170 178.694 176.600 -0.127 0.000 0.982 46 E CA 0.601 56.941 56.400 -0.099 0.000 0.809 46 E CB -0.180 29.447 29.700 -0.122 0.000 0.756 46 E HN 0.446 nan 8.360 nan 0.000 0.459 47 R N 0.294 120.617 120.500 -0.295 0.000 2.066 47 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 47 R C 2.407 178.406 176.300 -0.503 0.000 1.131 47 R CA 0.494 56.181 56.100 -0.689 0.000 0.955 47 R CB -0.810 28.573 30.300 -1.528 0.000 0.851 47 R HN 0.228 nan 8.270 nan 0.000 0.432 48 L N 0.648 121.703 121.223 -0.280 0.000 2.046 48 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 48 L C 2.421 179.325 176.870 0.057 0.000 1.077 48 L CA 1.918 56.756 54.840 -0.003 0.000 0.747 48 L CB -1.557 40.417 42.059 -0.142 0.000 0.896 48 L HN 0.139 nan 8.230 nan 0.000 0.432 49 A N -0.562 122.263 122.820 0.008 0.000 1.929 49 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 49 A C 2.457 180.073 177.584 0.054 0.000 1.176 49 A CA 1.501 53.568 52.037 0.050 0.000 0.628 49 A CB -0.576 18.443 19.000 0.031 0.000 0.816 49 A HN 0.539 nan 8.150 nan 0.000 0.444 50 S N -0.226 115.492 115.700 0.030 0.000 2.419 50 S HA -0.122 4.348 4.470 -0.000 0.000 0.233 50 S C 1.869 176.519 174.600 0.083 0.000 1.016 50 S CA 1.583 59.814 58.200 0.051 0.000 0.974 50 S CB -0.601 62.624 63.200 0.041 0.000 0.786 50 S HN 0.685 nan 8.310 nan 0.000 0.492 51 S N 0.320 116.088 115.700 0.114 0.000 2.593 51 S HA 0.394 4.864 4.470 -0.000 0.000 0.217 51 S C 1.436 176.118 174.600 0.138 0.000 0.966 51 S CA 0.720 59.019 58.200 0.165 0.000 0.914 51 S CB -0.763 62.607 63.200 0.283 0.000 0.776 51 S HN 1.492 nan 8.310 nan 0.000 0.523 52 G N 0.432 109.302 108.800 0.117 0.000 2.175 52 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.244 52 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.244 52 G C -0.156 174.822 174.900 0.130 0.000 0.982 52 G CA -0.030 45.135 45.100 0.107 0.000 0.641 52 G HN 0.532 nan 8.290 nan 0.000 0.527 53 Q N 0.419 120.320 119.800 0.168 0.000 2.352 53 Q HA 0.360 4.700 4.340 -0.000 0.000 0.260 53 Q C 0.746 176.875 176.000 0.215 0.000 0.976 53 Q CA 0.073 56.011 55.803 0.225 0.000 0.881 53 Q CB 0.595 29.538 28.738 0.342 0.000 1.235 53 Q HN 0.551 nan 8.270 nan 0.000 0.419 54 R N 0.759 121.401 120.500 0.236 0.000 2.267 54 R HA 0.378 4.718 4.340 -0.000 0.000 0.319 54 R C -0.542 175.994 176.300 0.392 0.000 1.067 54 R CA -0.260 56.012 56.100 0.286 0.000 0.936 54 R CB 0.567 31.012 30.300 0.242 0.000 1.006 54 R HN 0.211 nan 8.270 nan 0.000 0.452 55 V N 5.003 125.101 119.914 0.307 0.000 2.531 55 V HA 0.299 4.419 4.120 -0.000 0.000 0.301 55 V C -0.864 175.153 176.094 -0.129 0.000 1.034 55 V CA -0.947 61.444 62.300 0.152 0.000 0.865 55 V CB 1.840 33.713 31.823 0.082 0.000 0.995 55 V HN 0.496 nan 8.190 nan 0.000 0.424 56 L N 6.147 127.098 121.223 -0.454 0.000 2.287 56 L HA 0.677 5.017 4.340 -0.000 0.000 0.287 56 L C -0.648 175.999 176.870 -0.371 0.000 1.022 56 L CA 0.057 54.473 54.840 -0.708 0.000 0.814 56 L CB 1.135 42.384 42.059 -1.350 0.000 1.217 56 L HN 0.693 nan 8.230 nan 0.000 0.420 57 I N 5.246 125.653 120.570 -0.273 0.000 2.441 57 I HA 0.627 4.797 4.170 -0.000 0.000 0.295 57 I C -1.262 174.730 176.117 -0.208 0.000 0.994 57 I CA -0.551 60.621 61.300 -0.213 0.000 1.144 57 I CB 1.745 39.646 38.000 -0.166 0.000 1.314 57 I HN 0.480 nan 8.210 nan 0.000 0.445 58 V N 6.930 126.723 119.914 -0.202 0.000 2.962 58 V HA 0.631 4.751 4.120 -0.000 0.000 0.313 58 V C -1.356 174.632 176.094 -0.177 0.000 1.099 58 V CA -0.314 61.880 62.300 -0.177 0.000 0.971 58 V CB 2.216 33.944 31.823 -0.158 0.000 1.028 58 V HN 0.791 nan 8.190 nan 0.000 0.430 59 D N 2.389 122.686 120.400 -0.170 0.000 2.937 59 D HA 0.284 4.924 4.640 -0.000 0.000 0.215 59 D C 0.610 176.805 176.300 -0.174 0.000 1.274 59 D CA -0.486 53.397 54.000 -0.195 0.000 0.869 59 D CB 2.169 42.808 40.800 -0.269 0.000 1.675 59 D HN 0.644 nan 8.370 nan 0.000 0.538 60 R N 2.080 122.491 120.500 -0.149 0.000 2.152 60 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 60 R C 0.803 177.009 176.300 -0.156 0.000 1.117 60 R CA 0.456 56.484 56.100 -0.121 0.000 0.981 60 R CB -0.007 30.241 30.300 -0.087 0.000 0.870 60 R HN 0.080 nan 8.270 nan 0.000 0.451 61 R N 1.261 121.615 120.500 -0.245 0.000 2.679 61 R HA 0.094 4.434 4.340 -0.000 0.000 0.269 61 R C -1.849 174.243 176.300 -0.347 0.000 1.076 61 R CA -1.646 54.247 56.100 -0.344 0.000 1.160 61 R CB 0.385 30.306 30.300 -0.630 0.000 1.054 61 R HN 0.047 nan 8.270 nan 0.000 0.507 62 P HA 0.069 nan 4.420 nan 0.000 0.257 62 P C -1.333 175.863 177.300 -0.174 0.000 1.325 62 P CA 0.341 63.342 63.100 -0.165 0.000 0.850 62 P CB 0.097 31.764 31.700 -0.055 0.000 1.324 63 H N -1.933 116.962 119.070 -0.293 0.000 3.008 63 H HA 0.577 5.133 4.556 -0.000 0.000 0.354 63 H C -0.059 175.030 175.328 -0.398 0.000 1.252 63 H CA -1.485 54.313 56.048 -0.416 0.000 1.117 63 H CB 0.284 29.519 29.762 -0.879 0.000 1.857 63 H HN -0.180 nan 8.280 nan 0.000 0.547 64 I N -1.763 118.697 120.570 -0.184 0.000 3.244 64 I HA 0.698 4.868 4.170 -0.000 0.000 0.314 64 I C 1.264 177.197 176.117 -0.306 0.000 1.043 64 I CA -0.311 60.832 61.300 -0.262 0.000 1.099 64 I CB 0.789 38.668 38.000 -0.203 0.000 1.449 64 I HN 1.083 nan 8.210 nan 0.000 0.625 65 G N 0.328 108.645 108.800 -0.804 0.000 2.217 65 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.246 65 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.246 65 G C 0.960 175.382 174.900 -0.798 0.000 0.990 65 G CA 0.200 44.453 45.100 -1.410 0.000 0.627 65 G HN 2.135 nan 8.290 nan 0.000 0.522 66 G N 0.741 109.280 108.800 -0.436 0.000 2.614 66 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.303 66 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.303 66 G C 0.852 175.625 174.900 -0.212 0.000 1.270 66 G CA 0.967 45.889 45.100 -0.297 0.000 0.988 66 G HN 1.168 nan 8.290 nan 0.000 0.551 67 N N 0.874 119.441 118.700 -0.222 0.000 2.348 67 N HA 0.045 4.785 4.740 -0.000 0.000 0.185 67 N C 2.223 177.520 175.510 -0.355 0.000 1.019 67 N CA 1.922 54.857 53.050 -0.192 0.000 0.880 67 N CB -0.479 38.064 38.487 0.092 0.000 0.965 67 N HN 0.999 nan 8.380 nan 0.000 0.437 68 A N -0.751 121.815 122.820 -0.423 0.000 2.251 68 A HA 0.006 4.326 4.320 -0.000 0.000 0.209 68 A C 0.308 177.635 177.584 -0.429 0.000 1.187 68 A CA -0.404 51.199 52.037 -0.723 0.000 0.823 68 A CB -0.551 18.212 19.000 -0.395 0.000 0.846 68 A HN 0.315 nan 8.150 nan 0.000 0.486 69 Y N 2.642 122.762 120.300 -0.301 0.000 2.620 69 Y HA 0.315 4.865 4.550 -0.000 0.000 0.330 69 Y C -0.186 175.607 175.900 -0.179 0.000 1.186 69 Y CA -0.619 57.360 58.100 -0.201 0.000 1.467 69 Y CB 0.259 38.585 38.460 -0.224 0.000 1.262 69 Y HN 0.500 nan 8.280 nan 0.000 0.550 70 D N 4.473 124.469 120.400 -0.673 0.000 2.423 70 D HA 0.626 5.266 4.640 -0.000 0.000 0.235 70 D C -0.955 174.764 176.300 -0.968 0.000 1.011 70 D CA -0.556 53.045 54.000 -0.665 0.000 0.963 70 D CB 1.230 41.952 40.800 -0.129 0.000 1.349 70 D HN 0.741 nan 8.370 nan 0.000 0.508 71 C N -2.359 116.516 119.300 -0.708 0.000 3.275 71 C HA 0.638 5.098 4.460 -0.000 0.000 0.340 71 C C -1.477 173.255 174.990 -0.430 0.000 1.366 71 C CA -1.189 57.535 59.018 -0.490 0.000 1.227 71 C CB -0.176 27.300 27.740 -0.439 0.000 1.512 71 C HN 0.629 nan 8.230 nan 0.000 0.461 72 Y N 2.310 122.471 120.300 -0.232 0.000 2.316 72 Y HA 0.448 4.998 4.550 -0.000 0.000 0.331 72 Y C 1.068 176.856 175.900 -0.186 0.000 1.083 72 Y CA 0.708 58.692 58.100 -0.194 0.000 1.206 72 Y CB 0.830 39.215 38.460 -0.125 0.000 1.195 72 Y HN 0.856 nan 8.280 nan 0.000 0.497 73 D N 0.229 120.567 120.400 -0.103 0.000 2.447 73 D HA -0.003 4.637 4.640 -0.000 0.000 0.265 73 D C 0.379 176.659 176.300 -0.034 0.000 1.250 73 D CA -0.301 53.632 54.000 -0.112 0.000 1.046 73 D CB 0.475 41.171 40.800 -0.174 0.000 1.095 73 D HN 0.412 nan 8.370 nan 0.000 0.555 74 D N -0.792 119.586 120.400 -0.037 0.000 2.221 74 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 74 D C 1.553 177.864 176.300 0.018 0.000 0.982 74 D CA 1.771 55.767 54.000 -0.006 0.000 0.857 74 D CB -0.365 40.431 40.800 -0.007 0.000 0.934 74 D HN 0.536 nan 8.370 nan 0.000 0.475 75 A N -0.690 122.133 122.820 0.004 0.000 2.275 75 A HA 0.456 4.776 4.320 -0.000 0.000 0.212 75 A C 1.698 179.342 177.584 0.101 0.000 1.201 75 A CA 0.903 52.965 52.037 0.043 0.000 0.843 75 A CB 0.042 19.037 19.000 -0.009 0.000 0.873 75 A HN 0.222 nan 8.150 nan 0.000 0.492 76 G N -1.307 107.540 108.800 0.078 0.000 2.132 76 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.234 76 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.234 76 G C 0.035 175.010 174.900 0.124 0.000 0.989 76 G CA 0.095 45.313 45.100 0.198 0.000 0.676 76 G HN 0.783 nan 8.290 nan 0.000 0.522 77 V N 0.919 120.725 119.914 -0.181 0.000 2.539 77 V HA 0.683 4.803 4.120 -0.000 0.000 0.292 77 V C 0.592 176.450 176.094 -0.392 0.000 1.045 77 V CA -0.966 61.125 62.300 -0.348 0.000 0.945 77 V CB 1.772 33.326 31.823 -0.448 0.000 0.993 77 V HN 0.406 nan 8.190 nan 0.000 0.464 78 L N 6.945 127.832 121.223 -0.561 0.000 2.281 78 L HA 0.617 4.957 4.340 -0.000 0.000 0.285 78 L C -0.313 176.141 176.870 -0.693 0.000 1.074 78 L CA 0.460 54.794 54.840 -0.845 0.000 0.817 78 L CB 0.110 41.672 42.059 -0.827 0.000 1.168 78 L HN 0.661 nan 8.230 nan 0.000 0.434 79 I N 0.747 120.815 120.570 -0.837 0.000 3.239 79 I HA 0.558 4.728 4.170 -0.000 0.000 0.314 79 I C -1.131 174.334 176.117 -1.086 0.000 1.126 79 I CA -0.909 59.535 61.300 -1.426 0.000 0.973 79 I CB 2.237 39.505 38.000 -1.221 0.000 1.252 79 I HN 0.585 nan 8.210 nan 0.000 0.463 80 H N 1.393 119.676 119.070 -1.312 0.000 2.595 80 H HA 0.327 4.883 4.556 -0.000 0.000 0.313 80 H C -2.173 172.952 175.328 -0.339 0.000 1.023 80 H CA -1.907 53.853 56.048 -0.479 0.000 1.218 80 H CB 1.339 31.126 29.762 0.041 0.000 1.403 80 H HN 0.407 nan 8.280 nan 0.000 0.477 81 P HA -0.200 nan 4.420 nan 0.000 0.217 81 P C -0.151 176.717 177.300 -0.721 0.000 1.148 81 P CA 1.459 64.208 63.100 -0.584 0.000 0.828 81 P CB 0.106 31.309 31.700 -0.829 0.000 0.783 82 Y N -1.155 118.934 120.300 -0.351 0.000 2.801 82 Y HA 0.535 5.085 4.550 -0.000 0.000 0.318 82 Y C 1.366 176.829 175.900 -0.729 0.000 1.073 82 Y CA -0.246 57.333 58.100 -0.868 0.000 1.360 82 Y CB -0.085 38.217 38.460 -0.263 0.000 1.220 82 Y HN -0.064 nan 8.280 nan 0.000 0.536 83 G N 0.977 109.562 108.800 -0.358 0.000 2.712 83 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.683 83 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.683 83 G C -3.224 171.955 174.900 0.465 0.000 1.320 83 G CA -1.570 43.597 45.100 0.112 0.000 0.847 83 G HN 0.006 nan 8.290 nan 0.000 0.553 84 P HA 0.384 nan 4.420 nan 0.000 0.276 84 P C -0.647 176.847 177.300 0.322 0.000 1.264 84 P CA 0.135 63.518 63.100 0.471 0.000 0.769 84 P CB 0.352 32.123 31.700 0.120 0.000 0.840 85 H N 3.056 122.378 119.070 0.419 0.000 2.673 85 H HA 0.416 4.972 4.556 -0.000 0.000 0.293 85 H C -0.196 175.369 175.328 0.396 0.000 1.065 85 H CA -0.358 55.814 56.048 0.206 0.000 1.236 85 H CB 0.011 29.678 29.762 -0.157 0.000 1.389 85 H HN 0.256 nan 8.280 nan 0.000 0.481 86 I N 3.491 124.301 120.570 0.400 0.000 2.321 86 I HA 0.108 4.278 4.170 -0.000 0.000 0.291 86 I C -0.247 176.145 176.117 0.458 0.000 0.998 86 I CA -0.464 61.106 61.300 0.451 0.000 1.227 86 I CB 0.343 38.517 38.000 0.291 0.000 1.368 86 I HN 0.409 nan 8.210 nan 0.000 0.466 87 F N 7.466 127.657 119.950 0.402 0.000 2.427 87 F HA 0.481 5.008 4.527 -0.000 0.000 0.352 87 F C 0.146 176.024 175.800 0.130 0.000 1.100 87 F CA 0.126 58.280 58.000 0.257 0.000 1.191 87 F CB 0.187 39.435 39.000 0.412 0.000 1.128 87 F HN 0.666 nan 8.300 nan 0.000 0.533 88 H N 1.309 119.839 119.070 -0.900 0.000 3.038 88 H HA 0.652 5.208 4.556 -0.000 0.000 0.362 88 H C -1.206 173.630 175.328 -0.821 0.000 1.167 88 H CA -1.000 54.607 56.048 -0.735 0.000 1.197 88 H CB 1.855 31.106 29.762 -0.851 0.000 1.840 88 H HN 0.594 nan 8.280 nan 0.000 0.540 89 T N 0.634 114.926 114.554 -0.437 0.000 2.802 89 T HA 0.268 4.617 4.350 -0.000 0.000 0.311 89 T C -0.557 174.121 174.700 -0.035 0.000 1.405 89 T CA -0.769 61.150 62.100 -0.302 0.000 1.016 89 T CB 1.381 70.080 68.868 -0.281 0.000 1.352 89 T HN 0.780 nan 8.240 nan 0.000 0.498 90 N N 0.708 119.404 118.700 -0.007 0.000 2.220 90 N HA 0.113 4.852 4.740 -0.000 0.000 0.195 90 N C 0.111 175.712 175.510 0.151 0.000 1.123 90 N CA 0.026 53.116 53.050 0.068 0.000 0.874 90 N CB 0.908 39.394 38.487 -0.002 0.000 0.995 90 N HN 0.456 nan 8.380 nan 0.000 0.498 91 S N 1.245 116.992 115.700 0.078 0.000 2.400 91 S HA 0.130 4.600 4.470 -0.000 0.000 0.295 91 S C 1.261 175.854 174.600 -0.011 0.000 1.113 91 S CA -0.454 57.774 58.200 0.046 0.000 1.064 91 S CB 0.947 64.149 63.200 0.003 0.000 0.990 91 S HN 0.141 nan 8.310 nan 0.000 0.502 92 K N 3.773 124.172 120.400 -0.002 0.000 2.152 92 K HA -0.137 4.183 4.320 -0.000 0.000 0.206 92 K C 0.830 177.392 176.600 -0.063 0.000 1.048 92 K CA 1.926 58.110 56.287 -0.171 0.000 0.933 92 K CB -0.040 32.473 32.500 0.022 0.000 0.721 92 K HN 0.683 nan 8.250 nan 0.000 0.447 93 D N 0.153 120.558 120.400 0.009 0.000 2.123 93 D HA -0.128 4.512 4.640 -0.000 0.000 0.200 93 D C 2.017 178.371 176.300 0.090 0.000 0.976 93 D CA 1.064 55.090 54.000 0.045 0.000 0.831 93 D CB -0.125 40.696 40.800 0.035 0.000 0.974 93 D HN 0.075 nan 8.370 nan 0.000 0.469 94 V N 1.161 121.130 119.914 0.091 0.000 2.295 94 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 94 V C 2.241 178.484 176.094 0.249 0.000 1.049 94 V CA 1.302 63.706 62.300 0.173 0.000 1.024 94 V CB -0.646 31.265 31.823 0.146 0.000 0.648 94 V HN 0.072 nan 8.190 nan 0.000 0.447 95 F N 0.842 120.787 119.950 -0.008 0.000 2.171 95 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 95 F C 2.416 178.216 175.800 0.001 0.000 1.090 95 F CA 1.956 59.910 58.000 -0.077 0.000 1.293 95 F CB 0.040 38.728 39.000 -0.520 0.000 1.013 95 F HN 0.201 nan 8.300 nan 0.000 0.486 96 E N -1.209 118.999 120.200 0.013 0.000 2.112 96 E HA -0.227 4.122 4.350 -0.000 0.000 0.190 96 E C 1.849 178.440 176.600 -0.015 0.000 0.979 96 E CA 1.065 57.449 56.400 -0.027 0.000 0.814 96 E CB -0.412 29.303 29.700 0.025 0.000 0.762 96 E HN 0.587 nan 8.360 nan 0.000 0.460 97 Y N 1.211 121.494 120.300 -0.028 0.000 2.145 97 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 97 Y C 1.889 177.814 175.900 0.043 0.000 1.145 97 Y CA 1.149 59.256 58.100 0.011 0.000 1.148 97 Y CB -0.115 38.395 38.460 0.084 0.000 0.981 97 Y HN -0.017 nan 8.280 nan 0.000 0.507 98 L N -0.235 120.997 121.223 0.015 0.000 2.141 98 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 98 L C 2.437 179.187 176.870 -0.199 0.000 1.094 98 L CA 1.686 56.512 54.840 -0.024 0.000 0.763 98 L CB -1.366 40.745 42.059 0.086 0.000 0.908 98 L HN 0.159 nan 8.230 nan 0.000 0.437 99 S N -0.648 114.930 115.700 -0.203 0.000 2.500 99 S HA -0.123 4.347 4.470 -0.000 0.000 0.239 99 S C 1.839 176.193 174.600 -0.411 0.000 0.989 99 S CA 0.629 58.687 58.200 -0.237 0.000 0.951 99 S CB -0.240 62.877 63.200 -0.137 0.000 0.759 99 S HN 0.453 nan 8.310 nan 0.000 0.523 100 R N -0.162 119.939 120.500 -0.664 0.000 2.240 100 R HA 0.082 4.422 4.340 -0.000 0.000 0.203 100 R C 0.494 176.160 176.300 -1.057 0.000 1.011 100 R CA 0.808 56.334 56.100 -0.956 0.000 1.007 100 R CB -0.173 29.318 30.300 -1.349 0.000 0.911 100 R HN 0.494 nan 8.270 nan 0.000 0.468 101 F N -0.843 118.882 119.950 -0.376 0.000 2.746 101 F HA 0.316 4.843 4.527 -0.000 0.000 0.320 101 F C 0.418 175.982 175.800 -0.393 0.000 1.097 101 F CA -0.361 57.428 58.000 -0.352 0.000 1.195 101 F CB 1.087 39.862 39.000 -0.373 0.000 1.056 101 F HN -0.259 nan 8.300 nan 0.000 0.562 102 T N -0.128 114.187 114.554 -0.399 0.000 2.957 102 T HA 0.271 4.620 4.350 -0.000 0.000 0.336 102 T C -1.078 173.179 174.700 -0.738 0.000 1.462 102 T CA -0.494 61.272 62.100 -0.556 0.000 1.073 102 T CB 1.632 70.038 68.868 -0.770 0.000 1.319 102 T HN 0.081 nan 8.240 nan 0.000 0.485 103 E N 1.249 121.103 120.200 -0.577 0.000 2.322 103 E HA 0.521 4.871 4.350 -0.000 0.000 0.257 103 E C -0.982 175.224 176.600 -0.656 0.000 1.155 103 E CA -0.584 55.515 56.400 -0.502 0.000 0.936 103 E CB 0.952 30.508 29.700 -0.240 0.000 1.130 103 E HN 0.495 nan 8.360 nan 0.000 0.465 104 W N 0.374 121.620 121.300 -0.091 0.000 2.761 104 W HA 0.415 5.075 4.660 -0.000 0.000 0.340 104 W C -0.197 176.321 176.519 -0.000 0.000 1.072 104 W CA -0.773 56.558 57.345 -0.024 0.000 1.215 104 W CB 1.246 30.773 29.460 0.110 0.000 1.420 104 W HN 0.130 nan 8.180 nan 0.000 0.519 105 R N 3.201 123.890 120.500 0.314 0.000 2.275 105 R HA 0.378 4.718 4.340 -0.000 0.000 0.326 105 R C -2.594 173.887 176.300 0.301 0.000 0.973 105 R CA -1.802 54.429 56.100 0.219 0.000 0.854 105 R CB 0.971 31.339 30.300 0.113 0.000 1.156 105 R HN 0.096 nan 8.270 nan 0.000 0.487 106 P HA -0.063 nan 4.420 nan 0.000 0.264 106 P C -1.602 175.891 177.300 0.322 0.000 1.183 106 P CA 0.494 63.740 63.100 0.244 0.000 0.763 106 P CB 0.144 31.942 31.700 0.164 0.000 0.807 107 Y N 1.304 121.697 120.300 0.155 0.000 2.357 107 Y HA 0.245 4.795 4.550 -0.000 0.000 0.319 107 Y C -1.641 174.370 175.900 0.186 0.000 1.225 107 Y CA -0.552 57.650 58.100 0.170 0.000 1.095 107 Y CB 1.449 40.033 38.460 0.206 0.000 1.302 107 Y HN 0.306 nan 8.280 nan 0.000 0.429 108 Q N 5.249 124.768 119.800 -0.467 0.000 2.381 108 Q HA 0.218 4.558 4.340 -0.000 0.000 0.263 108 Q C -1.128 174.480 176.000 -0.653 0.000 1.030 108 Q CA -1.001 54.568 55.803 -0.390 0.000 0.772 108 Q CB 1.213 29.858 28.738 -0.154 0.000 1.232 108 Q HN 0.703 nan 8.270 nan 0.000 0.476 109 H N 2.507 121.183 119.070 -0.656 0.000 2.972 109 H HA 0.094 4.649 4.556 -0.000 0.000 0.343 109 H C -0.635 174.564 175.328 -0.215 0.000 1.054 109 H CA 1.017 56.841 56.048 -0.374 0.000 1.412 109 H CB 0.496 30.314 29.762 0.094 0.000 1.385 109 H HN 0.423 nan 8.280 nan 0.000 0.600 110 R N 3.164 123.303 120.500 -0.603 0.000 2.533 110 R HA 0.431 4.771 4.340 -0.000 0.000 0.288 110 R C -1.554 174.400 176.300 -0.576 0.000 1.039 110 R CA -0.938 54.894 56.100 -0.446 0.000 0.909 110 R CB 2.042 32.188 30.300 -0.256 0.000 1.195 110 R HN 0.316 nan 8.270 nan 0.000 0.438 111 V N 4.522 124.167 119.914 -0.447 0.000 2.495 111 V HA 0.428 4.548 4.120 -0.000 0.000 0.298 111 V C -0.683 175.255 176.094 -0.260 0.000 1.031 111 V CA -0.902 61.140 62.300 -0.430 0.000 0.871 111 V CB 1.839 33.311 31.823 -0.585 0.000 0.988 111 V HN 0.450 nan 8.190 nan 0.000 0.432 112 L N 3.729 124.804 121.223 -0.248 0.000 2.325 112 L HA 0.827 5.167 4.340 -0.000 0.000 0.278 112 L C 0.335 177.088 176.870 -0.195 0.000 1.023 112 L CA -0.421 54.310 54.840 -0.181 0.000 0.811 112 L CB 1.552 43.508 42.059 -0.172 0.000 1.249 112 L HN 0.791 nan 8.230 nan 0.000 0.431 113 A N 1.665 124.409 122.820 -0.126 0.000 2.303 113 A HA 0.564 4.884 4.320 -0.000 0.000 0.320 113 A C -0.113 177.366 177.584 -0.176 0.000 1.192 113 A CA -0.422 51.526 52.037 -0.148 0.000 0.821 113 A CB 0.905 19.894 19.000 -0.018 0.000 1.188 113 A HN 0.601 nan 8.150 nan 0.000 0.492 114 S N 2.059 117.600 115.700 -0.266 0.000 2.423 114 S HA 0.453 4.923 4.470 -0.000 0.000 0.302 114 S C -0.541 173.977 174.600 -0.137 0.000 1.143 114 S CA -0.147 57.955 58.200 -0.163 0.000 1.080 114 S CB -0.677 62.459 63.200 -0.108 0.000 1.081 114 S HN 0.690 nan 8.310 nan 0.000 0.522 115 V N 5.260 125.076 119.914 -0.163 0.000 2.623 115 V HA 0.349 4.469 4.120 -0.000 0.000 0.304 115 V C -0.466 175.537 176.094 -0.152 0.000 1.054 115 V CA -0.836 61.319 62.300 -0.243 0.000 0.882 115 V CB 1.781 33.295 31.823 -0.514 0.000 1.002 115 V HN 0.851 nan 8.190 nan 0.000 0.424 116 D N 3.889 124.217 120.400 -0.121 0.000 2.772 116 D HA -0.172 4.468 4.640 -0.000 0.000 0.233 116 D C 1.320 177.592 176.300 -0.047 0.000 1.143 116 D CA 2.044 55.999 54.000 -0.076 0.000 0.700 116 D CB -1.069 39.685 40.800 -0.078 0.000 1.076 116 D HN 1.543 nan 8.370 nan 0.000 0.430 117 G N -0.696 108.086 108.800 -0.031 0.000 2.168 117 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 117 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 117 G C 0.205 175.101 174.900 -0.007 0.000 0.997 117 G CA 0.898 45.996 45.100 -0.004 0.000 0.708 117 G HN 0.546 nan 8.290 nan 0.000 0.520 118 Q N -1.254 118.529 119.800 -0.027 0.000 2.416 118 Q HA 0.745 5.085 4.340 -0.000 0.000 0.279 118 Q C -0.142 175.834 176.000 -0.041 0.000 1.101 118 Q CA -0.993 54.793 55.803 -0.029 0.000 0.830 118 Q CB 1.885 30.602 28.738 -0.034 0.000 1.402 118 Q HN 0.234 nan 8.270 nan 0.000 0.445 119 L N 2.554 123.752 121.223 -0.040 0.000 2.272 119 L HA 0.361 4.701 4.340 -0.000 0.000 0.284 119 L C -1.143 175.701 176.870 -0.043 0.000 1.045 119 L CA -0.609 54.194 54.840 -0.061 0.000 0.842 119 L CB 0.306 42.323 42.059 -0.070 0.000 1.224 119 L HN 0.260 nan 8.230 nan 0.000 0.430 120 L N 4.659 125.873 121.223 -0.016 0.000 2.334 120 L HA 0.625 4.965 4.340 -0.000 0.000 0.272 120 L C -2.161 174.718 176.870 0.016 0.000 1.020 120 L CA -2.609 52.247 54.840 0.026 0.000 0.812 120 L CB 1.008 43.141 42.059 0.124 0.000 1.264 120 L HN 0.203 nan 8.230 nan 0.000 0.439 121 P HA 0.270 nan 4.420 nan 0.000 0.268 121 P C -0.809 176.462 177.300 -0.048 0.000 1.204 121 P CA 0.088 63.159 63.100 -0.048 0.000 0.768 121 P CB 0.741 32.404 31.700 -0.063 0.000 0.842 122 I N 4.769 125.312 120.570 -0.045 0.000 2.534 122 I HA 0.455 4.625 4.170 -0.000 0.000 0.288 122 I C -2.683 173.451 176.117 0.028 0.000 1.077 122 I CA -3.246 58.026 61.300 -0.046 0.000 1.051 122 I CB 2.147 40.138 38.000 -0.014 0.000 1.234 122 I HN 0.187 nan 8.210 nan 0.000 0.425 123 P HA 0.173 nan 4.420 nan 0.000 0.268 123 P C -0.484 176.728 177.300 -0.147 0.000 1.208 123 P CA 0.076 63.097 63.100 -0.132 0.000 0.777 123 P CB 0.343 31.937 31.700 -0.177 0.000 0.875 124 I N 2.408 122.859 120.570 -0.198 0.000 2.752 124 I HA -0.061 4.109 4.170 -0.000 0.000 0.289 124 I C 1.136 177.213 176.117 -0.067 0.000 1.197 124 I CA 0.887 62.055 61.300 -0.221 0.000 1.432 124 I CB -0.271 37.576 38.000 -0.256 0.000 1.359 124 I HN 0.564 nan 8.210 nan 0.000 0.571 125 N N 5.131 123.813 118.700 -0.029 0.000 3.278 125 N HA 0.286 5.026 4.740 -0.000 0.000 0.307 125 N C 0.340 175.865 175.510 0.025 0.000 1.551 125 N CA -0.925 52.137 53.050 0.021 0.000 0.794 125 N CB 0.548 39.015 38.487 -0.033 0.000 1.770 125 N HN 0.420 nan 8.380 nan 0.000 0.612 126 L N -0.262 120.955 121.223 -0.010 0.000 2.013 126 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 126 L C 0.688 177.513 176.870 -0.075 0.000 1.073 126 L CA 2.165 56.967 54.840 -0.064 0.000 0.753 126 L CB -0.445 41.561 42.059 -0.088 0.000 0.890 126 L HN 0.571 nan 8.230 nan 0.000 0.432 127 D N -1.014 119.349 120.400 -0.062 0.000 2.144 127 D HA -0.146 4.494 4.640 -0.000 0.000 0.200 127 D C 2.012 178.278 176.300 -0.056 0.000 0.978 127 D CA 1.741 55.705 54.000 -0.061 0.000 0.833 127 D CB -0.153 40.615 40.800 -0.054 0.000 0.961 127 D HN 0.394 nan 8.370 nan 0.000 0.470 128 T N 1.026 115.550 114.554 -0.051 0.000 2.684 128 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 128 T C 2.347 177.014 174.700 -0.055 0.000 1.036 128 T CA 1.028 63.102 62.100 -0.045 0.000 1.148 128 T CB -0.472 68.341 68.868 -0.093 0.000 0.863 128 T HN -0.016 nan 8.240 nan 0.000 0.436 129 V N 2.561 122.442 119.914 -0.054 0.000 2.261 129 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 129 V C 2.507 178.545 176.094 -0.093 0.000 1.047 129 V CA 1.657 63.917 62.300 -0.068 0.000 1.015 129 V CB -0.689 31.043 31.823 -0.152 0.000 0.642 129 V HN 0.423 nan 8.190 nan 0.000 0.446 130 N N 0.134 118.770 118.700 -0.106 0.000 2.166 130 N HA -0.126 4.614 4.740 -0.000 0.000 0.186 130 N C 1.990 177.465 175.510 -0.058 0.000 1.019 130 N CA 1.347 54.346 53.050 -0.086 0.000 0.856 130 N CB -0.329 38.105 38.487 -0.088 0.000 0.993 130 N HN 0.484 nan 8.380 nan 0.000 0.426 131 R N 0.009 120.471 120.500 -0.064 0.000 2.090 131 R HA 0.013 4.353 4.340 -0.000 0.000 0.228 131 R C 1.993 178.247 176.300 -0.075 0.000 1.110 131 R CA 0.440 56.507 56.100 -0.054 0.000 0.973 131 R CB -0.354 29.920 30.300 -0.044 0.000 0.869 131 R HN 0.109 nan 8.270 nan 0.000 0.440 132 L N -0.355 120.783 121.223 -0.141 0.000 2.056 132 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 132 L C 1.239 177.934 176.870 -0.291 0.000 1.078 132 L CA 1.835 56.513 54.840 -0.271 0.000 0.749 132 L CB -0.158 41.628 42.059 -0.455 0.000 0.901 132 L HN 0.101 nan 8.230 nan 0.000 0.433 133 Y N -0.591 119.707 120.300 -0.004 0.000 2.444 133 Y HA 0.462 5.012 4.550 -0.000 0.000 0.249 133 Y C 1.649 177.529 175.900 -0.033 0.000 1.134 133 Y CA -0.214 57.877 58.100 -0.015 0.000 1.261 133 Y CB -0.196 38.238 38.460 -0.043 0.000 1.143 133 Y HN 0.175 nan 8.280 nan 0.000 0.523 134 G N 1.149 109.990 108.800 0.069 0.000 2.225 134 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 134 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 134 G C -0.179 174.728 174.900 0.012 0.000 1.060 134 G CA 0.213 45.331 45.100 0.029 0.000 0.833 134 G HN 0.266 nan 8.290 nan 0.000 0.498 135 L N -0.996 120.221 121.223 -0.009 0.000 2.440 135 L HA 0.601 4.941 4.340 -0.000 0.000 0.262 135 L C 1.014 177.845 176.870 -0.065 0.000 1.072 135 L CA -1.079 53.727 54.840 -0.056 0.000 0.798 135 L CB 0.904 42.886 42.059 -0.129 0.000 1.307 135 L HN 0.087 nan 8.230 nan 0.000 0.475 136 N N 0.903 119.558 118.700 -0.075 0.000 2.646 136 N HA 0.307 5.047 4.740 -0.000 0.000 0.303 136 N C -1.085 174.382 175.510 -0.072 0.000 1.921 136 N CA -0.103 52.909 53.050 -0.064 0.000 0.872 136 N CB 0.771 39.234 38.487 -0.040 0.000 1.327 136 N HN 0.382 nan 8.380 nan 0.000 0.492 137 L N 1.053 122.209 121.223 -0.110 0.000 2.439 137 L HA 0.233 4.573 4.340 -0.000 0.000 0.269 137 L C 1.595 178.413 176.870 -0.086 0.000 1.179 137 L CA -0.047 54.727 54.840 -0.109 0.000 0.828 137 L CB 0.476 42.423 42.059 -0.187 0.000 1.106 137 L HN 0.164 nan 8.230 nan 0.000 0.467 138 T N -1.804 112.721 114.554 -0.048 0.000 2.824 138 T HA 0.130 4.480 4.350 -0.000 0.000 0.277 138 T C 1.118 175.738 174.700 -0.135 0.000 0.975 138 T CA -0.596 61.470 62.100 -0.056 0.000 0.966 138 T CB 1.332 70.236 68.868 0.059 0.000 1.054 138 T HN 0.515 nan 8.240 nan 0.000 0.533 139 S N -0.117 115.410 115.700 -0.288 0.000 2.442 139 S HA 0.009 4.479 4.470 -0.000 0.000 0.236 139 S C 1.304 175.685 174.600 -0.365 0.000 1.007 139 S CA 0.967 58.936 58.200 -0.384 0.000 0.965 139 S CB -0.690 62.183 63.200 -0.545 0.000 0.773 139 S HN 0.647 nan 8.310 nan 0.000 0.504 140 F N 1.363 121.307 119.950 -0.010 0.000 2.335 140 F HA 0.106 4.633 4.527 -0.000 0.000 0.296 140 F C 2.471 178.270 175.800 -0.002 0.000 1.091 140 F CA 0.364 58.364 58.000 -0.001 0.000 1.399 140 F CB -0.551 38.447 39.000 -0.003 0.000 1.067 140 F HN 0.158 nan 8.300 nan 0.000 0.520 141 Q N -0.387 119.492 119.800 0.132 0.000 2.187 141 Q HA -0.067 4.273 4.340 -0.000 0.000 0.199 141 Q C 2.351 178.360 176.000 0.015 0.000 0.957 141 Q CA 0.880 56.724 55.803 0.068 0.000 0.857 141 Q CB -0.266 28.491 28.738 0.032 0.000 0.929 141 Q HN 0.309 nan 8.270 nan 0.000 0.453 142 V N 1.025 120.902 119.914 -0.061 0.000 2.970 142 V HA -0.197 3.923 4.120 -0.000 0.000 0.260 142 V C 1.700 177.730 176.094 -0.106 0.000 1.100 142 V CA 1.479 63.668 62.300 -0.185 0.000 1.122 142 V CB -0.139 31.505 31.823 -0.299 0.000 0.721 142 V HN 0.327 nan 8.190 nan 0.000 0.483 143 E N -0.179 120.056 120.200 0.058 0.000 2.072 143 E HA -0.206 4.144 4.350 -0.000 0.000 0.190 143 E C 2.113 178.802 176.600 0.148 0.000 0.982 143 E CA 1.564 58.062 56.400 0.163 0.000 0.803 143 E CB -0.035 29.752 29.700 0.144 0.000 0.755 143 E HN 0.750 nan 8.360 nan 0.000 0.453 144 E N 0.209 120.475 120.200 0.110 0.000 2.110 144 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 144 E C 1.919 178.575 176.600 0.094 0.000 0.988 144 E CA 0.770 57.225 56.400 0.091 0.000 0.804 144 E CB -0.229 29.519 29.700 0.079 0.000 0.745 144 E HN 0.191 nan 8.360 nan 0.000 0.458 145 F N 1.194 121.108 119.950 -0.061 0.000 2.075 145 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 145 F C 1.924 177.717 175.800 -0.013 0.000 1.113 145 F CA 1.293 59.234 58.000 -0.098 0.000 1.218 145 F CB -0.213 38.654 39.000 -0.221 0.000 0.984 145 F HN -0.140 nan 8.300 nan 0.000 0.472 146 F N 0.892 120.881 119.950 0.066 0.000 2.126 146 F HA -0.163 4.364 4.527 -0.000 0.000 0.299 146 F C 2.625 178.354 175.800 -0.118 0.000 1.096 146 F CA 1.097 59.068 58.000 -0.049 0.000 1.255 146 F CB -1.653 37.380 39.000 0.055 0.000 0.997 146 F HN 0.105 nan 8.300 nan 0.000 0.479 147 A N -0.606 122.288 122.820 0.124 0.000 1.968 147 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 147 A C 2.315 179.880 177.584 -0.032 0.000 1.169 147 A CA 1.633 53.694 52.037 0.039 0.000 0.638 147 A CB -1.016 18.013 19.000 0.048 0.000 0.812 147 A HN 0.384 nan 8.150 nan 0.000 0.446 148 S N -0.335 115.313 115.700 -0.087 0.000 2.489 148 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 148 S C 1.411 175.909 174.600 -0.171 0.000 0.995 148 S CA 1.298 59.425 58.200 -0.120 0.000 0.934 148 S CB -0.425 62.702 63.200 -0.123 0.000 0.771 148 S HN 1.017 nan 8.310 nan 0.000 0.522 149 V N -2.431 117.348 119.914 -0.224 0.000 3.612 149 V HA 0.640 4.760 4.120 -0.000 0.000 0.268 149 V C 1.020 177.055 176.094 -0.098 0.000 1.365 149 V CA -0.254 61.932 62.300 -0.191 0.000 1.044 149 V CB -0.920 30.725 31.823 -0.298 0.000 0.820 149 V HN 0.538 nan 8.190 nan 0.000 0.444 150 A N 1.314 124.090 122.820 -0.073 0.000 2.555 150 A HA 0.227 4.547 4.320 -0.000 0.000 0.233 150 A C 0.311 177.861 177.584 -0.057 0.000 1.060 150 A CA 0.363 52.368 52.037 -0.054 0.000 0.759 150 A CB -0.260 18.715 19.000 -0.043 0.000 0.995 150 A HN 0.681 nan 8.150 nan 0.000 0.506 151 E N 1.203 121.365 120.200 -0.064 0.000 2.197 151 E HA 0.228 4.578 4.350 -0.000 0.000 0.281 151 E C -0.597 175.965 176.600 -0.064 0.000 0.995 151 E CA -0.686 55.677 56.400 -0.063 0.000 0.808 151 E CB 1.177 30.834 29.700 -0.073 0.000 1.093 151 E HN 0.637 nan 8.360 nan 0.000 0.394 152 K N 1.230 121.599 120.400 -0.052 0.000 2.383 152 K HA 0.231 4.551 4.320 -0.000 0.000 0.286 152 K C -0.496 176.073 176.600 -0.053 0.000 1.051 152 K CA -0.308 55.950 56.287 -0.048 0.000 0.974 152 K CB 0.567 33.044 32.500 -0.037 0.000 0.968 152 K HN 0.089 nan 8.250 nan 0.000 0.475 153 V N 4.717 124.597 119.914 -0.057 0.000 2.350 153 V HA -0.015 4.105 4.120 -0.000 0.000 0.285 153 V C 1.103 177.169 176.094 -0.047 0.000 1.014 153 V CA -0.680 61.585 62.300 -0.058 0.000 0.831 153 V CB 0.681 32.460 31.823 -0.074 0.000 1.000 153 V HN 0.995 nan 8.190 nan 0.000 0.433 154 E N 3.642 123.819 120.200 -0.039 0.000 2.194 154 E HA -0.289 4.061 4.350 -0.000 0.000 0.246 154 E C 0.576 177.156 176.600 -0.034 0.000 0.974 154 E CA 1.321 57.702 56.400 -0.033 0.000 0.949 154 E CB -0.043 29.639 29.700 -0.029 0.000 0.896 154 E HN 0.638 nan 8.360 nan 0.000 0.550 155 Q N 0.408 120.187 119.800 -0.035 0.000 2.342 155 Q HA 0.408 4.748 4.340 -0.000 0.000 0.267 155 Q C -1.521 174.453 176.000 -0.043 0.000 1.038 155 Q CA -0.563 55.219 55.803 -0.035 0.000 0.832 155 Q CB 2.476 31.197 28.738 -0.028 0.000 1.323 155 Q HN 0.173 nan 8.270 nan 0.000 0.448 156 V N 5.057 124.943 119.914 -0.047 0.000 2.408 156 V HA 0.237 4.357 4.120 -0.000 0.000 0.267 156 V C 0.825 176.889 176.094 -0.050 0.000 1.047 156 V CA 0.300 62.565 62.300 -0.058 0.000 0.937 156 V CB 0.813 32.596 31.823 -0.066 0.000 0.999 156 V HN 0.753 nan 8.190 nan 0.000 0.472 157 R N 2.177 122.646 120.500 -0.052 0.000 2.412 157 R HA 0.172 4.512 4.340 -0.000 0.000 0.212 157 R C 0.544 176.815 176.300 -0.048 0.000 0.878 157 R CA 0.303 56.377 56.100 -0.043 0.000 1.022 157 R CB 0.730 31.009 30.300 -0.034 0.000 1.265 157 R HN 0.717 nan 8.270 nan 0.000 0.620 158 T N -2.197 112.322 114.554 -0.060 0.000 2.942 158 T HA 0.303 4.653 4.350 -0.000 0.000 0.289 158 T C 0.907 175.565 174.700 -0.071 0.000 1.044 158 T CA -0.644 61.420 62.100 -0.059 0.000 1.023 158 T CB 2.246 71.082 68.868 -0.053 0.000 1.123 158 T HN -0.247 nan 8.240 nan 0.000 0.512 159 S N -0.234 115.433 115.700 -0.055 0.000 2.419 159 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 159 S C 1.801 176.371 174.600 -0.051 0.000 1.016 159 S CA 1.305 59.479 58.200 -0.043 0.000 0.974 159 S CB -0.457 62.740 63.200 -0.005 0.000 0.786 159 S HN 0.864 nan 8.310 nan 0.000 0.492 160 E N 0.889 121.054 120.200 -0.059 0.000 2.072 160 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 160 E C 1.179 177.587 176.600 -0.321 0.000 0.985 160 E CA 1.374 57.644 56.400 -0.216 0.000 0.801 160 E CB -0.062 29.530 29.700 -0.180 0.000 0.750 160 E HN 0.358 nan 8.360 nan 0.000 0.452 161 D N 0.497 120.776 120.400 -0.201 0.000 2.092 161 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 161 D C 2.182 178.369 176.300 -0.189 0.000 0.994 161 D CA 2.052 55.943 54.000 -0.181 0.000 0.828 161 D CB -0.548 40.179 40.800 -0.121 0.000 0.963 161 D HN 0.272 nan 8.370 nan 0.000 0.450 162 V N -0.105 119.706 119.914 -0.172 0.000 2.324 162 V HA -0.230 3.890 4.120 -0.000 0.000 0.250 162 V C 2.508 178.457 176.094 -0.242 0.000 1.060 162 V CA 1.445 63.637 62.300 -0.180 0.000 1.042 162 V CB -1.216 30.510 31.823 -0.161 0.000 0.650 162 V HN 0.027 nan 8.190 nan 0.000 0.450 163 V N -0.337 119.394 119.914 -0.305 0.000 2.302 163 V HA -0.111 4.009 4.120 -0.000 0.000 0.243 163 V C 2.580 178.519 176.094 -0.258 0.000 1.036 163 V CA 1.740 63.824 62.300 -0.360 0.000 1.020 163 V CB -0.270 31.300 31.823 -0.422 0.000 0.657 163 V HN 0.401 nan 8.190 nan 0.000 0.453 164 V N 1.359 121.089 119.914 -0.307 0.000 2.594 164 V HA -0.186 3.933 4.120 -0.000 0.000 0.253 164 V C 2.612 178.608 176.094 -0.164 0.000 1.069 164 V CA 2.160 64.311 62.300 -0.249 0.000 1.082 164 V CB -0.539 31.066 31.823 -0.363 0.000 0.680 164 V HN 0.761 nan 8.190 nan 0.000 0.469 165 S N -0.915 114.685 115.700 -0.167 0.000 2.522 165 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 165 S C 1.733 176.261 174.600 -0.120 0.000 0.986 165 S CA 0.386 58.510 58.200 -0.126 0.000 0.929 165 S CB -0.059 63.071 63.200 -0.116 0.000 0.769 165 S HN 0.548 nan 8.310 nan 0.000 0.529 166 K N 1.137 121.442 120.400 -0.159 0.000 2.190 166 K HA 0.225 4.545 4.320 -0.000 0.000 0.202 166 K C 1.911 178.378 176.600 -0.222 0.000 1.045 166 K CA 1.359 57.529 56.287 -0.194 0.000 0.976 166 K CB -0.143 32.202 32.500 -0.260 0.000 0.849 166 K HN 0.483 nan 8.250 nan 0.000 0.468 167 V N -2.820 116.974 119.914 -0.200 0.000 3.432 167 V HA 0.432 4.552 4.120 -0.000 0.000 0.298 167 V C 0.541 176.679 176.094 0.074 0.000 1.464 167 V CA 0.250 62.485 62.300 -0.108 0.000 1.046 167 V CB -0.029 31.670 31.823 -0.206 0.000 0.887 167 V HN 0.381 nan 8.190 nan 0.000 0.441 168 G N 1.391 110.198 108.800 0.012 0.000 2.712 168 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.683 168 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.683 168 G C 0.066 175.026 174.900 0.101 0.000 1.320 168 G CA 0.302 45.420 45.100 0.030 0.000 0.847 168 G HN 0.634 nan 8.290 nan 0.000 0.553 169 R N -0.024 120.536 120.500 0.100 0.000 2.075 169 R HA 0.007 4.347 4.340 -0.000 0.000 0.232 169 R C 2.167 178.634 176.300 0.278 0.000 1.126 169 R CA 2.439 58.647 56.100 0.179 0.000 0.963 169 R CB -0.764 29.608 30.300 0.119 0.000 0.858 169 R HN 0.635 nan 8.270 nan 0.000 0.435 170 D N -0.259 120.279 120.400 0.231 0.000 2.097 170 D HA -0.120 4.520 4.640 -0.000 0.000 0.195 170 D C 1.800 178.303 176.300 0.339 0.000 0.989 170 D CA 1.281 55.439 54.000 0.263 0.000 0.827 170 D CB -0.040 40.919 40.800 0.264 0.000 0.966 170 D HN 0.315 nan 8.370 nan 0.000 0.456 171 L N -0.425 121.039 121.223 0.401 0.000 2.275 171 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 171 L C 2.172 179.361 176.870 0.532 0.000 1.119 171 L CA 0.606 55.740 54.840 0.490 0.000 0.790 171 L CB -0.445 41.884 42.059 0.451 0.000 0.919 171 L HN 0.177 nan 8.230 nan 0.000 0.443 172 Y N 1.188 121.674 120.300 0.310 0.000 2.163 172 Y HA -0.203 4.347 4.550 -0.000 0.000 0.288 172 Y C 2.412 178.496 175.900 0.307 0.000 1.136 172 Y CA 1.518 59.805 58.100 0.311 0.000 1.147 172 Y CB -0.247 38.306 38.460 0.155 0.000 0.987 172 Y HN 0.179 nan 8.280 nan 0.000 0.509 173 N N 0.680 119.428 118.700 0.079 0.000 2.166 173 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 173 N C 1.625 177.112 175.510 -0.039 0.000 1.019 173 N CA 1.662 54.672 53.050 -0.068 0.000 0.856 173 N CB -0.250 38.273 38.487 0.059 0.000 0.993 173 N HN 0.487 nan 8.380 nan 0.000 0.426 174 K N -0.696 119.737 120.400 0.055 0.000 2.116 174 K HA 0.036 4.356 4.320 -0.000 0.000 0.203 174 K C 1.188 177.607 176.600 -0.302 0.000 1.052 174 K CA 0.860 57.076 56.287 -0.118 0.000 0.952 174 K CB 0.017 32.446 32.500 -0.118 0.000 0.729 174 K HN 0.148 nan 8.250 nan 0.000 0.446 175 F N -1.795 118.132 119.950 -0.038 0.000 2.602 175 F HA 0.177 4.704 4.527 -0.000 0.000 0.284 175 F C 1.477 177.052 175.800 -0.374 0.000 1.111 175 F CA 0.155 58.025 58.000 -0.218 0.000 1.405 175 F CB 0.312 39.141 39.000 -0.285 0.000 1.121 175 F HN -0.142 nan 8.300 nan 0.000 0.603 176 F N -0.833 119.172 119.950 0.091 0.000 2.557 176 F HA 0.254 4.781 4.527 -0.000 0.000 0.278 176 F C 2.357 178.119 175.800 -0.064 0.000 1.051 176 F CA 0.130 58.158 58.000 0.048 0.000 1.357 176 F CB -0.402 38.681 39.000 0.139 0.000 1.104 176 F HN -0.377 nan 8.300 nan 0.000 0.654 177 R N 0.698 121.058 120.500 -0.233 0.000 2.073 177 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 177 R C 2.328 178.617 176.300 -0.018 0.000 1.134 177 R CA 1.778 57.716 56.100 -0.271 0.000 0.952 177 R CB -0.919 29.060 30.300 -0.534 0.000 0.850 177 R HN 0.381 nan 8.270 nan 0.000 0.433 178 G N -0.533 108.255 108.800 -0.019 0.000 2.404 178 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.215 178 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.215 178 G C 1.318 176.260 174.900 0.071 0.000 1.174 178 G CA 0.739 45.847 45.100 0.014 0.000 0.780 178 G HN 0.466 nan 8.290 nan 0.000 0.537 179 Y N 1.834 122.127 120.300 -0.011 0.000 2.097 179 Y HA -0.218 4.332 4.550 -0.000 0.000 0.282 179 Y C 3.203 179.149 175.900 0.077 0.000 1.152 179 Y CA 2.456 60.565 58.100 0.014 0.000 1.136 179 Y CB -0.321 38.133 38.460 -0.010 0.000 0.975 179 Y HN 0.221 nan 8.280 nan 0.000 0.498 180 T N 0.505 115.311 114.554 0.420 0.000 2.684 180 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 180 T C 1.843 176.740 174.700 0.328 0.000 1.036 180 T CA 1.821 64.206 62.100 0.474 0.000 1.148 180 T CB -0.288 68.847 68.868 0.446 0.000 0.863 180 T HN 0.339 nan 8.240 nan 0.000 0.436 181 R N 0.730 121.346 120.500 0.193 0.000 2.096 181 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 181 R C 2.560 178.901 176.300 0.068 0.000 1.127 181 R CA 1.292 57.471 56.100 0.131 0.000 0.968 181 R CB -0.163 30.186 30.300 0.081 0.000 0.861 181 R HN 0.343 nan 8.270 nan 0.000 0.440 182 K N 0.541 120.937 120.400 -0.006 0.000 2.062 182 K HA -0.203 4.117 4.320 -0.000 0.000 0.205 182 K C 2.203 178.711 176.600 -0.153 0.000 1.051 182 K CA 1.398 57.630 56.287 -0.091 0.000 0.941 182 K CB 0.139 32.541 32.500 -0.164 0.000 0.719 182 K HN -0.069 nan 8.250 nan 0.000 0.440 183 Q N -0.552 119.111 119.800 -0.228 0.000 2.083 183 Q HA -0.109 4.231 4.340 -0.000 0.000 0.198 183 Q C 1.144 176.871 176.000 -0.455 0.000 0.969 183 Q CA 1.835 57.382 55.803 -0.427 0.000 0.838 183 Q CB -0.177 28.240 28.738 -0.535 0.000 0.900 183 Q HN 0.446 nan 8.270 nan 0.000 0.436 184 W N -1.447 119.823 121.300 -0.049 0.000 2.808 184 W HA 0.407 5.067 4.660 -0.000 0.000 0.266 184 W C 1.236 177.755 176.519 -0.000 0.000 1.247 184 W CA 0.345 57.671 57.345 -0.031 0.000 1.440 184 W CB 0.437 29.895 29.460 -0.004 0.000 1.040 184 W HN 0.291 nan 8.180 nan 0.000 0.606 185 G N 0.100 109.022 108.800 0.204 0.000 2.157 185 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 185 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 185 G C -0.437 174.551 174.900 0.146 0.000 0.979 185 G CA -0.018 45.165 45.100 0.138 0.000 0.650 185 G HN 0.034 nan 8.290 nan 0.000 0.529 186 L N 0.114 121.452 121.223 0.191 0.000 2.301 186 L HA 0.722 5.062 4.340 -0.000 0.000 0.264 186 L C 0.222 177.174 176.870 0.135 0.000 1.016 186 L CA -1.369 53.552 54.840 0.135 0.000 0.821 186 L CB 1.455 43.575 42.059 0.101 0.000 1.346 186 L HN 0.214 nan 8.230 nan 0.000 0.429 187 D N 0.806 121.269 120.400 0.104 0.000 2.344 187 D HA 0.236 4.876 4.640 -0.000 0.000 0.244 187 D C -1.701 174.670 176.300 0.119 0.000 1.134 187 D CA -1.055 53.017 54.000 0.121 0.000 0.930 187 D CB 1.391 42.255 40.800 0.107 0.000 1.175 187 D HN 0.274 nan 8.370 nan 0.000 0.437 188 P HA -0.118 nan 4.420 nan 0.000 0.221 188 P C 0.891 178.235 177.300 0.074 0.000 1.145 188 P CA 0.936 64.131 63.100 0.158 0.000 0.795 188 P CB 0.028 31.925 31.700 0.329 0.000 0.775 189 S N -0.756 114.991 115.700 0.077 0.000 2.461 189 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 189 S C 1.570 176.173 174.600 0.005 0.000 1.005 189 S CA 0.704 58.919 58.200 0.025 0.000 0.942 189 S CB -0.885 62.333 63.200 0.031 0.000 0.776 189 S HN 0.230 nan 8.310 nan 0.000 0.514 190 E N 0.484 120.690 120.200 0.010 0.000 2.489 190 E HA 0.285 4.635 4.350 -0.000 0.000 0.193 190 E C -0.340 176.229 176.600 -0.050 0.000 1.057 190 E CA -0.006 56.390 56.400 -0.007 0.000 0.866 190 E CB 0.076 29.785 29.700 0.014 0.000 0.916 190 E HN 0.528 nan 8.360 nan 0.000 0.500 191 L N 1.016 122.191 121.223 -0.080 0.000 2.346 191 L HA 0.261 4.601 4.340 -0.000 0.000 0.274 191 L C 0.237 177.037 176.870 -0.118 0.000 1.007 191 L CA -1.059 53.684 54.840 -0.162 0.000 0.818 191 L CB 1.592 43.473 42.059 -0.296 0.000 1.284 191 L HN -0.065 nan 8.230 nan 0.000 0.424 192 D N 1.324 121.651 120.400 -0.122 0.000 2.478 192 D HA -0.037 4.603 4.640 -0.000 0.000 0.234 192 D C 0.826 177.085 176.300 -0.067 0.000 1.154 192 D CA 0.489 54.444 54.000 -0.075 0.000 0.874 192 D CB 1.633 42.398 40.800 -0.059 0.000 1.198 192 D HN 0.696 nan 8.370 nan 0.000 0.455 193 A N 2.855 125.646 122.820 -0.049 0.000 2.125 193 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 193 A C 2.201 179.768 177.584 -0.030 0.000 1.156 193 A CA 1.894 53.902 52.037 -0.049 0.000 0.671 193 A CB -0.523 18.445 19.000 -0.053 0.000 0.794 193 A HN 0.647 nan 8.150 nan 0.000 0.459 194 S N -0.319 115.374 115.700 -0.011 0.000 2.400 194 S HA -0.143 4.327 4.470 -0.000 0.000 0.232 194 S C 1.735 176.372 174.600 0.062 0.000 1.025 194 S CA 1.435 59.648 58.200 0.023 0.000 0.993 194 S CB -0.929 62.296 63.200 0.042 0.000 0.808 194 S HN 0.265 nan 8.310 nan 0.000 0.478 195 V N 2.955 122.904 119.914 0.059 0.000 2.220 195 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 195 V C 3.209 179.423 176.094 0.199 0.000 1.049 195 V CA 2.368 64.762 62.300 0.156 0.000 1.003 195 V CB -1.647 30.149 31.823 -0.046 0.000 0.634 195 V HN 0.883 nan 8.190 nan 0.000 0.444 196 T N -1.493 113.137 114.554 0.126 0.000 3.085 196 T HA 0.091 4.441 4.350 -0.000 0.000 0.263 196 T C 1.693 176.404 174.700 0.020 0.000 1.127 196 T CA 0.971 63.151 62.100 0.134 0.000 1.103 196 T CB -0.217 68.671 68.868 0.034 0.000 0.921 196 T HN 0.441 nan 8.240 nan 0.000 0.510 197 A N 1.700 124.513 122.820 -0.012 0.000 2.178 197 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 197 A C 2.486 180.057 177.584 -0.021 0.000 1.157 197 A CA 0.790 52.799 52.037 -0.045 0.000 0.689 197 A CB -0.643 18.333 19.000 -0.041 0.000 0.787 197 A HN 0.539 nan 8.150 nan 0.000 0.465 198 R N -0.831 119.683 120.500 0.024 0.000 2.096 198 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 198 R C -0.038 176.234 176.300 -0.046 0.000 1.127 198 R CA 1.177 57.281 56.100 0.006 0.000 0.968 198 R CB -0.150 30.175 30.300 0.041 0.000 0.861 198 R HN 0.302 nan 8.270 nan 0.000 0.440 199 V N 4.118 124.032 119.914 0.001 0.000 2.218 199 V HA 0.179 4.299 4.120 -0.000 0.000 0.261 199 V C -2.025 174.056 176.094 -0.022 0.000 1.142 199 V CA -1.615 60.653 62.300 -0.054 0.000 0.965 199 V CB 0.433 32.317 31.823 0.102 0.000 1.190 199 V HN 0.104 nan 8.190 nan 0.000 0.478 200 P HA 0.178 nan 4.420 nan 0.000 0.271 200 P C 0.106 177.335 177.300 -0.118 0.000 1.218 200 P CA 0.065 63.097 63.100 -0.114 0.000 0.780 200 P CB 0.954 32.586 31.700 -0.115 0.000 0.901 201 T N 3.264 117.727 114.554 -0.152 0.000 2.899 201 T HA 0.304 4.654 4.350 -0.000 0.000 0.295 201 T C 0.582 175.198 174.700 -0.140 0.000 1.033 201 T CA -0.209 61.783 62.100 -0.180 0.000 1.084 201 T CB 0.498 69.153 68.868 -0.355 0.000 0.979 201 T HN 0.357 nan 8.240 nan 0.000 0.532 202 R N 0.068 120.520 120.500 -0.079 0.000 2.892 202 R HA 0.558 4.898 4.340 -0.000 0.000 0.265 202 R C 0.745 177.106 176.300 0.102 0.000 1.025 202 R CA -0.717 55.370 56.100 -0.021 0.000 0.982 202 R CB 1.305 31.580 30.300 -0.043 0.000 1.185 202 R HN 0.761 nan 8.270 nan 0.000 0.484 203 T N -3.396 111.208 114.554 0.084 0.000 3.043 203 T HA 0.077 4.427 4.350 -0.000 0.000 0.272 203 T C 0.414 175.102 174.700 -0.020 0.000 0.990 203 T CA -0.458 61.710 62.100 0.112 0.000 0.897 203 T CB -0.256 68.691 68.868 0.132 0.000 1.111 203 T HN 0.566 nan 8.240 nan 0.000 0.529 204 N N 2.042 120.716 118.700 -0.043 0.000 2.531 204 N HA 0.314 5.054 4.740 -0.000 0.000 0.301 204 N C 0.262 175.730 175.510 -0.071 0.000 1.310 204 N CA -1.056 51.944 53.050 -0.083 0.000 0.949 204 N CB 0.428 38.866 38.487 -0.080 0.000 1.111 204 N HN 0.099 nan 8.380 nan 0.000 0.565 205 R N -1.614 118.841 120.500 -0.076 0.000 2.633 205 R HA 0.229 4.569 4.340 -0.000 0.000 0.348 205 R C -0.780 175.481 176.300 -0.066 0.000 1.100 205 R CA -0.510 55.549 56.100 -0.069 0.000 1.068 205 R CB -0.209 30.049 30.300 -0.070 0.000 1.351 205 R HN 0.532 nan 8.270 nan 0.000 0.575 206 D N 2.064 122.423 120.400 -0.068 0.000 2.390 206 D HA -0.026 4.614 4.640 -0.000 0.000 0.249 206 D C 0.445 176.697 176.300 -0.079 0.000 1.144 206 D CA 0.188 54.145 54.000 -0.072 0.000 0.880 206 D CB 0.826 41.581 40.800 -0.075 0.000 1.182 206 D HN 0.223 nan 8.370 nan 0.000 0.451 207 N N 2.260 120.911 118.700 -0.082 0.000 2.177 207 N HA 0.033 4.773 4.740 -0.000 0.000 0.218 207 N C -0.296 175.151 175.510 -0.104 0.000 1.182 207 N CA -0.371 52.625 53.050 -0.089 0.000 0.882 207 N CB 0.135 38.572 38.487 -0.083 0.000 1.052 207 N HN 0.133 nan 8.380 nan 0.000 0.519 208 R N -0.139 120.298 120.500 -0.106 0.000 2.539 208 R HA 0.135 4.475 4.340 -0.000 0.000 0.275 208 R C 0.332 176.541 176.300 -0.152 0.000 1.077 208 R CA -0.494 55.535 56.100 -0.118 0.000 1.097 208 R CB 0.431 30.678 30.300 -0.088 0.000 1.018 208 R HN 0.015 nan 8.270 nan 0.000 0.483 209 Y N 1.224 121.277 120.300 -0.411 0.000 2.439 209 Y HA 0.085 4.635 4.550 -0.000 0.000 0.292 209 Y C -0.332 175.039 175.900 -0.881 0.000 1.130 209 Y CA 0.785 58.484 58.100 -0.668 0.000 1.254 209 Y CB 0.370 38.328 38.460 -0.837 0.000 1.000 209 Y HN 0.392 nan 8.280 nan 0.000 0.554 210 F N -1.691 118.195 119.950 -0.108 0.000 2.551 210 F HA 0.584 5.111 4.527 -0.000 0.000 0.316 210 F C 0.449 176.160 175.800 -0.148 0.000 1.089 210 F CA -0.873 57.002 58.000 -0.208 0.000 0.915 210 F CB 1.590 40.405 39.000 -0.309 0.000 1.186 210 F HN -0.232 nan 8.300 nan 0.000 0.456 211 A N 1.046 123.888 122.820 0.037 0.000 2.630 211 A HA 0.329 4.649 4.320 -0.000 0.000 0.290 211 A C -0.398 177.169 177.584 -0.029 0.000 1.267 211 A CA -0.435 51.590 52.037 -0.020 0.000 0.950 211 A CB -0.778 18.191 19.000 -0.052 0.000 1.144 211 A HN 0.679 nan 8.150 nan 0.000 0.527 212 D N -0.588 119.815 120.400 0.004 0.000 2.361 212 D HA 0.207 4.846 4.640 -0.000 0.000 0.239 212 D C 1.291 177.504 176.300 -0.146 0.000 1.200 212 D CA 0.512 54.484 54.000 -0.047 0.000 0.915 212 D CB 0.657 41.449 40.800 -0.013 0.000 1.170 212 D HN 0.091 nan 8.370 nan 0.000 0.444 213 T N -0.224 114.184 114.554 -0.244 0.000 2.896 213 T HA -0.068 4.282 4.350 -0.000 0.000 0.263 213 T C 0.121 174.369 174.700 -0.753 0.000 1.050 213 T CA 0.998 62.788 62.100 -0.517 0.000 1.140 213 T CB -0.166 68.291 68.868 -0.685 0.000 0.877 213 T HN 0.309 nan 8.240 nan 0.000 0.457 214 Y N 2.042 122.146 120.300 -0.327 0.000 2.478 214 Y HA 0.483 5.032 4.550 -0.000 0.000 0.329 214 Y C 0.070 175.760 175.900 -0.349 0.000 0.967 214 Y CA -1.037 56.736 58.100 -0.545 0.000 1.255 214 Y CB 0.541 38.412 38.460 -0.981 0.000 1.103 214 Y HN 0.010 nan 8.280 nan 0.000 0.497 215 Q N 3.020 122.743 119.800 -0.127 0.000 2.357 215 Q HA 0.865 5.205 4.340 -0.000 0.000 0.266 215 Q C -1.007 175.058 176.000 0.109 0.000 1.021 215 Q CA -0.906 54.909 55.803 0.020 0.000 0.784 215 Q CB 2.288 31.046 28.738 0.034 0.000 1.243 215 Q HN 0.757 nan 8.270 nan 0.000 0.465 216 A N 2.974 125.950 122.820 0.259 0.000 2.599 216 A HA 0.683 5.002 4.320 -0.000 0.000 0.294 216 A C -1.462 176.486 177.584 0.606 0.000 1.055 216 A CA -0.768 51.497 52.037 0.380 0.000 0.683 216 A CB 1.506 20.658 19.000 0.253 0.000 1.278 216 A HN 0.549 nan 8.150 nan 0.000 0.412 217 M N 1.348 121.300 119.600 0.586 0.000 2.436 217 M HA 0.396 4.876 4.480 -0.000 0.000 0.331 217 M C -2.618 173.856 176.300 0.290 0.000 1.135 217 M CA -2.272 53.294 55.300 0.443 0.000 0.987 217 M CB 1.111 33.863 32.600 0.254 0.000 1.687 217 M HN 0.298 nan 8.290 nan 0.000 0.445 218 P HA -0.030 nan 4.420 nan 0.000 0.260 218 P C 0.888 177.973 177.300 -0.359 0.000 1.185 218 P CA -0.056 62.742 63.100 -0.502 0.000 0.763 218 P CB 0.247 31.534 31.700 -0.689 0.000 0.776 219 L N 4.615 125.591 121.223 -0.412 0.000 2.051 219 L HA -0.210 4.130 4.340 -0.000 0.000 0.214 219 L C 1.356 177.904 176.870 -0.537 0.000 1.076 219 L CA 2.151 56.708 54.840 -0.471 0.000 0.758 219 L CB -0.784 40.879 42.059 -0.660 0.000 0.890 219 L HN 0.494 nan 8.230 nan 0.000 0.433 220 H N -1.009 117.966 119.070 -0.158 0.000 2.512 220 H HA 0.547 5.103 4.556 -0.000 0.000 0.276 220 H C 0.838 176.089 175.328 -0.129 0.000 1.126 220 H CA 0.370 56.356 56.048 -0.104 0.000 1.060 220 H CB -0.285 29.430 29.762 -0.079 0.000 1.646 220 H HN 0.316 nan 8.280 nan 0.000 0.571 221 G N 0.072 108.780 108.800 -0.152 0.000 2.699 221 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.686 221 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.686 221 G C 0.093 174.855 174.900 -0.231 0.000 1.301 221 G CA -0.490 44.492 45.100 -0.196 0.000 0.816 221 G HN 0.250 nan 8.290 nan 0.000 0.595 222 Y N 0.404 120.669 120.300 -0.058 0.000 2.200 222 Y HA -0.094 4.456 4.550 -0.000 0.000 0.290 222 Y C 3.388 179.338 175.900 0.083 0.000 1.137 222 Y CA 2.345 60.429 58.100 -0.027 0.000 1.163 222 Y CB -0.391 38.094 38.460 0.042 0.000 0.988 222 Y HN 0.650 nan 8.280 nan 0.000 0.518 223 T N 0.110 114.785 114.554 0.201 0.000 2.720 223 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 223 T C 1.963 176.739 174.700 0.127 0.000 1.037 223 T CA 1.245 63.460 62.100 0.192 0.000 1.144 223 T CB -0.153 68.756 68.868 0.067 0.000 0.864 223 T HN 0.226 nan 8.240 nan 0.000 0.444 224 R N 0.628 121.156 120.500 0.046 0.000 2.096 224 R HA 0.073 4.413 4.340 -0.000 0.000 0.235 224 R C 2.441 178.721 176.300 -0.034 0.000 1.127 224 R CA 0.929 57.035 56.100 0.009 0.000 0.968 224 R CB -0.684 29.622 30.300 0.010 0.000 0.861 224 R HN 0.447 nan 8.270 nan 0.000 0.440 225 M N -0.347 119.195 119.600 -0.095 0.000 2.132 225 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 225 M C 1.671 177.818 176.300 -0.255 0.000 1.065 225 M CA 1.695 56.866 55.300 -0.215 0.000 1.122 225 M CB -0.118 32.268 32.600 -0.356 0.000 1.365 225 M HN -0.014 nan 8.290 nan 0.000 0.411 226 F N 0.663 120.516 119.950 -0.163 0.000 2.186 226 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 226 F C 2.533 178.228 175.800 -0.174 0.000 1.090 226 F CA 1.452 59.325 58.000 -0.212 0.000 1.307 226 F CB -0.301 38.586 39.000 -0.188 0.000 1.019 226 F HN 0.247 nan 8.300 nan 0.000 0.489 227 Q N -0.011 119.830 119.800 0.069 0.000 2.124 227 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 227 Q C 1.922 177.910 176.000 -0.021 0.000 0.977 227 Q CA 1.341 57.156 55.803 0.020 0.000 0.850 227 Q CB -0.149 28.604 28.738 0.024 0.000 0.901 227 Q HN 0.355 nan 8.270 nan 0.000 0.429 228 N N 0.344 119.021 118.700 -0.037 0.000 2.106 228 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 228 N C 1.597 177.068 175.510 -0.065 0.000 1.029 228 N CA 1.068 54.116 53.050 -0.003 0.000 0.848 228 N CB -0.253 38.275 38.487 0.068 0.000 1.007 228 N HN 0.233 nan 8.380 nan 0.000 0.423 229 M N 0.347 119.754 119.600 -0.321 0.000 2.195 229 M HA -0.095 4.385 4.480 -0.000 0.000 0.260 229 M C 0.755 176.888 176.300 -0.278 0.000 1.066 229 M CA 1.393 56.304 55.300 -0.648 0.000 1.089 229 M CB 0.106 32.262 32.600 -0.740 0.000 1.377 229 M HN 0.049 nan 8.290 nan 0.000 0.411 230 L N -1.051 120.091 121.223 -0.136 0.000 2.910 230 L HA 0.165 4.504 4.340 -0.000 0.000 0.252 230 L C 1.656 178.502 176.870 -0.041 0.000 1.195 230 L CA -0.080 54.714 54.840 -0.077 0.000 1.003 230 L CB -0.176 41.850 42.059 -0.056 0.000 1.328 230 L HN 0.289 nan 8.230 nan 0.000 0.540 231 S N -2.268 113.416 115.700 -0.027 0.000 2.558 231 S HA -0.003 4.467 4.470 -0.000 0.000 0.217 231 S C 1.046 175.650 174.600 0.006 0.000 0.975 231 S CA -0.263 57.934 58.200 -0.006 0.000 0.912 231 S CB 0.075 63.276 63.200 0.002 0.000 0.776 231 S HN 0.298 nan 8.310 nan 0.000 0.526 232 S N 2.785 118.490 115.700 0.009 0.000 2.563 232 S HA 0.208 4.678 4.470 -0.000 0.000 0.284 232 S C -1.588 173.028 174.600 0.027 0.000 1.331 232 S CA -0.960 57.253 58.200 0.022 0.000 1.047 232 S CB 0.594 63.809 63.200 0.025 0.000 0.859 232 S HN 0.170 nan 8.310 nan 0.000 0.514 233 P HA 0.036 nan 4.420 nan 0.000 0.226 233 P C 0.667 178.004 177.300 0.061 0.000 1.153 233 P CA 0.622 63.747 63.100 0.042 0.000 0.777 233 P CB 0.048 31.771 31.700 0.038 0.000 0.794 234 N N -0.596 118.143 118.700 0.065 0.000 2.515 234 N HA 0.041 4.781 4.740 -0.000 0.000 0.185 234 N C 0.436 176.007 175.510 0.102 0.000 1.109 234 N CA 0.487 53.593 53.050 0.093 0.000 0.903 234 N CB 0.004 38.546 38.487 0.091 0.000 0.969 234 N HN 0.254 nan 8.380 nan 0.000 0.450 235 I N 1.489 122.095 120.570 0.060 0.000 2.354 235 I HA 0.177 4.346 4.170 -0.000 0.000 0.292 235 I C -0.268 175.859 176.117 0.017 0.000 0.989 235 I CA -0.738 60.576 61.300 0.025 0.000 1.188 235 I CB 1.224 39.217 38.000 -0.012 0.000 1.342 235 I HN -0.377 nan 8.210 nan 0.000 0.457 236 K N 6.350 126.740 120.400 -0.017 0.000 2.274 236 K HA 0.523 4.843 4.320 -0.000 0.000 0.262 236 K C -0.871 175.667 176.600 -0.103 0.000 0.961 236 K CA -0.718 55.550 56.287 -0.032 0.000 0.833 236 K CB 2.341 34.845 32.500 0.007 0.000 1.102 236 K HN 0.243 nan 8.250 nan 0.000 0.436 237 V N 3.985 123.855 119.914 -0.074 0.000 2.394 237 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 237 V C 0.012 176.051 176.094 -0.092 0.000 1.031 237 V CA -0.732 61.510 62.300 -0.097 0.000 0.881 237 V CB 1.280 33.055 31.823 -0.080 0.000 0.982 237 V HN 0.729 nan 8.190 nan 0.000 0.451 238 M N 6.311 125.840 119.600 -0.119 0.000 2.243 238 M HA 0.638 5.117 4.480 -0.000 0.000 0.324 238 M C -1.568 174.665 176.300 -0.111 0.000 1.031 238 M CA -0.267 54.974 55.300 -0.099 0.000 0.949 238 M CB 1.271 33.809 32.600 -0.104 0.000 1.615 238 M HN 0.536 nan 8.290 nan 0.000 0.430 239 L N 3.454 124.621 121.223 -0.094 0.000 2.323 239 L HA 0.515 4.855 4.340 -0.000 0.000 0.265 239 L C 0.412 177.227 176.870 -0.092 0.000 1.012 239 L CA -0.924 53.848 54.840 -0.114 0.000 0.820 239 L CB 1.778 43.768 42.059 -0.115 0.000 1.334 239 L HN 0.947 nan 8.230 nan 0.000 0.427 240 N N 0.063 118.698 118.700 -0.109 0.000 2.735 240 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 240 N C -1.051 174.420 175.510 -0.065 0.000 1.083 240 N CA 1.029 54.030 53.050 -0.081 0.000 0.703 240 N CB -0.544 37.911 38.487 -0.054 0.000 1.005 240 N HN 0.737 nan 8.380 nan 0.000 0.550 241 T N 0.144 114.652 114.554 -0.078 0.000 2.881 241 T HA 0.175 4.525 4.350 -0.000 0.000 0.291 241 T C -0.981 173.680 174.700 -0.065 0.000 0.990 241 T CA -0.737 61.325 62.100 -0.063 0.000 0.976 241 T CB 1.698 70.529 68.868 -0.063 0.000 0.970 241 T HN 0.114 nan 8.240 nan 0.000 0.438 242 D N 1.795 122.155 120.400 -0.067 0.000 2.308 242 D HA 0.081 4.721 4.640 -0.000 0.000 0.251 242 D C 1.259 177.493 176.300 -0.111 0.000 1.127 242 D CA -0.662 53.291 54.000 -0.078 0.000 0.876 242 D CB 0.769 41.494 40.800 -0.125 0.000 1.176 242 D HN 0.690 nan 8.370 nan 0.000 0.446 243 Y N 3.680 123.924 120.300 -0.093 0.000 2.241 243 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 243 Y C 1.844 177.669 175.900 -0.125 0.000 1.166 243 Y CA 1.132 59.156 58.100 -0.128 0.000 1.203 243 Y CB -0.341 38.054 38.460 -0.108 0.000 0.977 243 Y HN 0.309 nan 8.280 nan 0.000 0.529 244 R N 0.858 120.852 120.500 -0.843 0.000 2.189 244 R HA -0.094 4.246 4.340 -0.000 0.000 0.223 244 R C 1.827 177.960 176.300 -0.278 0.000 1.092 244 R CA 1.421 57.156 56.100 -0.609 0.000 0.989 244 R CB -0.286 29.624 30.300 -0.650 0.000 0.876 244 R HN 0.637 nan 8.270 nan 0.000 0.457 245 E N 0.427 120.502 120.200 -0.209 0.000 2.274 245 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 245 E C 1.403 177.938 176.600 -0.108 0.000 0.996 245 E CA 1.029 57.380 56.400 -0.082 0.000 0.840 245 E CB 0.143 29.822 29.700 -0.034 0.000 0.772 245 E HN 0.447 nan 8.360 nan 0.000 0.491 246 I N -3.907 116.487 120.570 -0.294 0.000 4.456 246 I HA 0.352 4.522 4.170 -0.000 0.000 0.329 246 I C 1.960 177.677 176.117 -0.666 0.000 1.313 246 I CA 0.029 60.905 61.300 -0.707 0.000 1.205 246 I CB 0.296 38.062 38.000 -0.390 0.000 1.179 246 I HN -0.157 nan 8.210 nan 0.000 0.419 247 A N 1.012 123.661 122.820 -0.285 0.000 2.131 247 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 247 A C 1.800 179.388 177.584 0.006 0.000 1.158 247 A CA 2.053 54.068 52.037 -0.037 0.000 0.665 247 A CB -0.782 18.280 19.000 0.104 0.000 0.795 247 A HN 0.501 nan 8.150 nan 0.000 0.460 248 D N -0.527 119.775 120.400 -0.164 0.000 2.120 248 D HA -0.044 4.596 4.640 -0.000 0.000 0.202 248 D C 1.278 177.607 176.300 0.049 0.000 0.972 248 D CA 1.532 55.523 54.000 -0.015 0.000 0.837 248 D CB -0.237 40.615 40.800 0.087 0.000 0.989 248 D HN 0.691 nan 8.370 nan 0.000 0.469 249 F N -0.689 119.315 119.950 0.090 0.000 2.653 249 F HA 0.426 4.952 4.527 -0.000 0.000 0.304 249 F C 0.453 176.320 175.800 0.112 0.000 1.092 249 F CA -0.580 57.468 58.000 0.079 0.000 1.279 249 F CB -0.056 38.976 39.000 0.053 0.000 1.044 249 F HN -0.288 nan 8.300 nan 0.000 0.564 250 I N 3.405 123.968 120.570 -0.012 0.000 2.355 250 I HA 0.356 4.526 4.170 -0.000 0.000 0.288 250 I C -2.469 173.820 176.117 0.288 0.000 0.999 250 I CA -2.280 59.114 61.300 0.156 0.000 1.163 250 I CB 1.707 39.771 38.000 0.106 0.000 1.316 250 I HN -0.206 nan 8.210 nan 0.000 0.454 251 P HA 0.201 nan 4.420 nan 0.000 0.276 251 P C -1.150 176.335 177.300 0.308 0.000 1.264 251 P CA 0.104 63.299 63.100 0.159 0.000 0.769 251 P CB 0.012 31.750 31.700 0.062 0.000 0.840 252 F N 0.300 120.307 119.950 0.095 0.000 2.581 252 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 252 F C 0.726 176.552 175.800 0.043 0.000 1.113 252 F CA -0.953 57.114 58.000 0.111 0.000 0.935 252 F CB 1.281 40.356 39.000 0.125 0.000 1.232 252 F HN -0.054 nan 8.300 nan 0.000 0.445 253 Q N 1.218 121.048 119.800 0.050 0.000 2.331 253 Q HA 0.079 4.419 4.340 -0.000 0.000 0.203 253 Q C -0.462 175.555 176.000 0.029 0.000 0.944 253 Q CA 1.178 56.949 55.803 -0.054 0.000 0.892 253 Q CB -0.172 28.533 28.738 -0.056 0.000 0.983 253 Q HN 0.871 nan 8.270 nan 0.000 0.482 254 H N -1.500 117.584 119.070 0.022 0.000 3.012 254 H HA 0.558 5.114 4.556 -0.000 0.000 0.367 254 H C -1.522 174.013 175.328 0.346 0.000 1.211 254 H CA -0.548 55.550 56.048 0.084 0.000 1.139 254 H CB 1.398 31.055 29.762 -0.174 0.000 1.838 254 H HN -0.040 nan 8.280 nan 0.000 0.550 255 M N 5.242 124.750 119.600 -0.153 0.000 2.395 255 M HA 0.488 4.968 4.480 -0.000 0.000 0.307 255 M C -1.678 174.532 176.300 -0.150 0.000 1.091 255 M CA -0.738 54.527 55.300 -0.060 0.000 0.919 255 M CB 1.198 33.790 32.600 -0.013 0.000 1.662 255 M HN 0.579 nan 8.290 nan 0.000 0.440 256 I N 5.012 125.544 120.570 -0.064 0.000 2.354 256 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 256 I C -1.502 174.472 176.117 -0.238 0.000 1.007 256 I CA -0.770 60.468 61.300 -0.103 0.000 1.167 256 I CB 1.146 39.144 38.000 -0.003 0.000 1.320 256 I HN 0.635 nan 8.210 nan 0.000 0.458 257 Y N 5.738 125.698 120.300 -0.567 0.000 2.330 257 Y HA 0.293 4.843 4.550 -0.000 0.000 0.336 257 Y C 1.123 176.767 175.900 -0.428 0.000 1.036 257 Y CA -0.349 57.359 58.100 -0.653 0.000 1.125 257 Y CB 1.548 39.325 38.460 -1.137 0.000 1.194 257 Y HN 0.643 nan 8.280 nan 0.000 0.469 258 T N 1.029 115.117 114.554 -0.777 0.000 3.091 258 T HA 0.397 4.746 4.350 -0.000 0.000 0.277 258 T C 0.714 175.055 174.700 -0.598 0.000 0.996 258 T CA 0.125 61.933 62.100 -0.486 0.000 0.897 258 T CB -0.306 68.394 68.868 -0.280 0.000 1.109 258 T HN 0.727 nan 8.240 nan 0.000 0.534 259 G N 2.249 110.302 108.800 -1.244 0.000 2.508 259 G HA2 0.592 4.552 3.960 -0.000 0.000 0.278 259 G HA3 0.592 4.552 3.960 -0.000 0.000 0.278 259 G C -2.818 171.951 174.900 -0.217 0.000 1.389 259 G CA -1.661 42.981 45.100 -0.764 0.000 1.050 259 G HN 0.196 nan 8.290 nan 0.000 0.522 260 P HA 0.164 nan 4.420 nan 0.000 0.272 260 P C 1.102 178.617 177.300 0.360 0.000 1.223 260 P CA -0.346 62.800 63.100 0.078 0.000 0.784 260 P CB 1.211 32.812 31.700 -0.166 0.000 0.923 261 V N 0.397 120.519 119.914 0.347 0.000 2.300 261 V HA -0.135 3.985 4.120 -0.000 0.000 0.241 261 V C 1.867 177.912 176.094 -0.082 0.000 1.034 261 V CA 1.873 64.325 62.300 0.253 0.000 1.021 261 V CB -1.756 30.256 31.823 0.315 0.000 0.662 261 V HN 0.477 nan 8.190 nan 0.000 0.458 262 D N 2.632 122.771 120.400 -0.436 0.000 2.203 262 D HA -0.239 4.401 4.640 -0.000 0.000 0.199 262 D C 1.905 177.750 176.300 -0.758 0.000 0.997 262 D CA 2.175 55.666 54.000 -0.848 0.000 0.863 262 D CB -0.473 40.065 40.800 -0.437 0.000 0.928 262 D HN 0.573 nan 8.370 nan 0.000 0.458 263 A N -0.345 122.083 122.820 -0.653 0.000 1.970 263 A HA 0.048 4.368 4.320 -0.000 0.000 0.216 263 A C 2.041 179.393 177.584 -0.387 0.000 1.170 263 A CA 0.746 52.289 52.037 -0.823 0.000 0.645 263 A CB -1.035 17.808 19.000 -0.261 0.000 0.816 263 A HN 0.253 nan 8.150 nan 0.000 0.447 264 F N -0.601 119.103 119.950 -0.410 0.000 2.186 264 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 264 F C 0.781 176.238 175.800 -0.572 0.000 1.090 264 F CA 1.124 58.757 58.000 -0.612 0.000 1.307 264 F CB 0.006 38.376 39.000 -1.049 0.000 1.019 264 F HN 0.173 nan 8.300 nan 0.000 0.489 265 F N 1.340 121.292 119.950 0.004 0.000 2.819 265 F HA 0.207 4.734 4.527 -0.000 0.000 0.294 265 F C 0.408 176.171 175.800 -0.063 0.000 1.166 265 F CA -0.787 57.211 58.000 -0.004 0.000 1.374 265 F CB -1.010 38.090 39.000 0.167 0.000 0.956 265 F HN -0.058 nan 8.300 nan 0.000 0.509 266 D N -0.027 120.335 120.400 -0.063 0.000 2.751 266 D HA -0.306 4.334 4.640 -0.000 0.000 0.233 266 D C 0.304 176.762 176.300 0.264 0.000 1.149 266 D CA 0.781 54.809 54.000 0.047 0.000 0.682 266 D CB -1.592 39.257 40.800 0.082 0.000 1.068 266 D HN 0.449 nan 8.370 nan 0.000 0.429 267 F N -2.940 117.147 119.950 0.228 0.000 3.100 267 F HA -0.404 4.123 4.527 -0.000 0.000 0.284 267 F C 2.507 178.449 175.800 0.237 0.000 0.875 267 F CA 0.678 58.847 58.000 0.282 0.000 1.039 267 F CB -2.789 36.318 39.000 0.179 0.000 1.111 267 F HN 0.469 nan 8.300 nan 0.000 0.575 268 C N -1.979 117.456 119.300 0.224 0.000 2.396 268 C HA -0.257 4.203 4.460 -0.000 0.000 0.277 268 C C 2.134 177.139 174.990 0.024 0.000 1.231 268 C CA 1.377 60.391 59.018 -0.006 0.000 1.775 268 C CB -1.372 26.197 27.740 -0.285 0.000 2.036 268 C HN 0.529 nan 8.230 nan 0.000 0.484 269 Y N 2.960 123.287 120.300 0.045 0.000 2.493 269 Y HA 0.470 5.020 4.550 -0.000 0.000 0.275 269 Y C 1.639 177.638 175.900 0.164 0.000 1.183 269 Y CA -0.053 58.020 58.100 -0.044 0.000 1.258 269 Y CB -0.992 37.221 38.460 -0.412 0.000 1.108 269 Y HN 0.815 nan 8.280 nan 0.000 0.521 270 G N 0.525 109.577 108.800 0.419 0.000 2.685 270 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.387 270 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.387 270 G C -0.880 174.313 174.900 0.487 0.000 1.324 270 G CA -0.975 44.346 45.100 0.368 0.000 0.878 270 G HN 0.180 nan 8.290 nan 0.000 0.527 271 K N 0.008 120.621 120.400 0.354 0.000 2.312 271 K HA 0.559 4.879 4.320 -0.000 0.000 0.287 271 K C 0.591 177.369 176.600 0.296 0.000 1.062 271 K CA -0.537 55.979 56.287 0.383 0.000 0.934 271 K CB 0.601 33.242 32.500 0.236 0.000 1.027 271 K HN 0.553 nan 8.250 nan 0.000 0.478 272 L N 8.036 129.416 121.223 0.262 0.000 2.369 272 L HA 0.266 4.606 4.340 -0.000 0.000 0.279 272 L C -1.922 175.014 176.870 0.112 0.000 1.108 272 L CA -1.895 52.991 54.840 0.077 0.000 0.852 272 L CB 0.849 42.824 42.059 -0.140 0.000 1.169 272 L HN 0.655 nan 8.230 nan 0.000 0.452 273 P HA 0.035 nan 4.420 nan 0.000 0.265 273 P C -1.527 175.850 177.300 0.127 0.000 1.222 273 P CA 0.322 63.521 63.100 0.165 0.000 0.767 273 P CB 0.072 31.864 31.700 0.154 0.000 0.801 274 Y N 2.224 122.682 120.300 0.264 0.000 2.352 274 Y HA 0.453 5.003 4.550 -0.000 0.000 0.339 274 Y C 1.170 177.196 175.900 0.209 0.000 0.992 274 Y CA -0.951 57.293 58.100 0.240 0.000 1.100 274 Y CB 1.571 40.141 38.460 0.184 0.000 1.192 274 Y HN 0.230 nan 8.280 nan 0.000 0.458 275 R N 1.468 122.200 120.500 0.386 0.000 2.441 275 R HA 0.478 4.818 4.340 -0.000 0.000 0.284 275 R C -0.222 176.273 176.300 0.324 0.000 1.070 275 R CA -0.011 56.263 56.100 0.290 0.000 1.047 275 R CB 0.989 31.395 30.300 0.177 0.000 1.016 275 R HN 0.700 nan 8.270 nan 0.000 0.477 276 S N 2.572 118.418 115.700 0.243 0.000 2.798 276 S HA 0.789 5.259 4.470 -0.000 0.000 0.312 276 S C -1.256 173.513 174.600 0.283 0.000 1.122 276 S CA -0.746 57.633 58.200 0.298 0.000 0.949 276 S CB 0.631 63.926 63.200 0.159 0.000 1.235 276 S HN 0.427 nan 8.310 nan 0.000 0.552 277 L N 1.208 122.622 121.223 0.318 0.000 2.466 277 L HA 0.549 4.889 4.340 -0.000 0.000 0.258 277 L C -1.023 175.711 176.870 -0.226 0.000 0.973 277 L CA -0.595 54.220 54.840 -0.042 0.000 0.826 277 L CB 2.272 44.158 42.059 -0.290 0.000 1.372 277 L HN 0.764 nan 8.230 nan 0.000 0.409 278 E N 1.506 121.528 120.200 -0.297 0.000 2.199 278 E HA 0.602 4.952 4.350 -0.000 0.000 0.269 278 E C -1.825 174.586 176.600 -0.314 0.000 0.899 278 E CA -0.494 55.772 56.400 -0.223 0.000 0.772 278 E CB 1.485 31.182 29.700 -0.005 0.000 1.155 278 E HN 0.324 nan 8.360 nan 0.000 0.408 279 F N 2.508 122.590 119.950 0.220 0.000 2.458 279 F HA 0.517 5.043 4.527 -0.000 0.000 0.336 279 F C 0.258 176.128 175.800 0.117 0.000 1.114 279 F CA -0.969 57.108 58.000 0.129 0.000 0.987 279 F CB 1.747 40.776 39.000 0.048 0.000 1.130 279 F HN 0.251 nan 8.300 nan 0.000 0.458 280 R N 2.789 123.455 120.500 0.276 0.000 2.320 280 R HA 0.310 4.649 4.340 -0.000 0.000 0.319 280 R C -0.916 175.472 176.300 0.147 0.000 0.969 280 R CA -0.719 55.526 56.100 0.241 0.000 0.857 280 R CB 0.917 31.401 30.300 0.308 0.000 1.160 280 R HN 0.670 nan 8.270 nan 0.000 0.491 281 H N 2.030 121.236 119.070 0.226 0.000 2.525 281 H HA 0.288 4.844 4.556 -0.000 0.000 0.339 281 H C -0.242 175.173 175.328 0.145 0.000 1.109 281 H CA 0.018 56.173 56.048 0.179 0.000 1.352 281 H CB 1.806 31.635 29.762 0.111 0.000 1.461 281 H HN 0.489 nan 8.280 nan 0.000 0.533 282 E N 0.694 121.045 120.200 0.252 0.000 2.356 282 E HA 0.305 4.655 4.350 -0.000 0.000 0.275 282 E C -1.056 175.606 176.600 0.103 0.000 0.904 282 E CA -0.742 55.742 56.400 0.140 0.000 0.757 282 E CB 2.366 32.168 29.700 0.171 0.000 1.232 282 E HN 0.428 nan 8.360 nan 0.000 0.442 283 T N 1.553 116.085 114.554 -0.037 0.000 2.824 283 T HA 0.443 4.793 4.350 -0.000 0.000 0.282 283 T C -1.224 173.384 174.700 -0.154 0.000 0.993 283 T CA -0.698 61.391 62.100 -0.018 0.000 0.967 283 T CB 0.580 69.435 68.868 -0.021 0.000 0.960 283 T HN 0.320 nan 8.240 nan 0.000 0.441 284 H N 0.807 119.895 119.070 0.029 0.000 2.524 284 H HA 0.353 4.909 4.556 -0.000 0.000 0.353 284 H C -0.310 175.038 175.328 0.033 0.000 1.136 284 H CA -0.758 55.311 56.048 0.034 0.000 1.193 284 H CB 1.172 30.955 29.762 0.036 0.000 1.558 284 H HN 0.461 nan 8.280 nan 0.000 0.515 285 D N 1.572 122.056 120.400 0.140 0.000 2.885 285 D HA 0.087 4.727 4.640 -0.000 0.000 0.234 285 D C -0.542 175.826 176.300 0.114 0.000 1.129 285 D CA 0.340 54.407 54.000 0.112 0.000 0.991 285 D CB -0.171 40.684 40.800 0.092 0.000 1.137 285 D HN 0.453 nan 8.370 nan 0.000 0.459 286 T N -0.932 113.690 114.554 0.114 0.000 2.853 286 T HA 0.168 4.518 4.350 -0.000 0.000 0.311 286 T C 0.710 175.450 174.700 0.067 0.000 1.307 286 T CA -0.570 61.580 62.100 0.083 0.000 1.019 286 T CB 1.374 70.283 68.868 0.068 0.000 1.264 286 T HN 0.031 nan 8.240 nan 0.000 0.497 287 E N 0.808 121.038 120.200 0.050 0.000 2.208 287 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 287 E C 0.527 177.128 176.600 0.003 0.000 0.988 287 E CA 0.561 56.981 56.400 0.034 0.000 0.828 287 E CB 0.363 30.081 29.700 0.030 0.000 0.763 287 E HN 0.438 nan 8.360 nan 0.000 0.478 288 Q N 0.203 120.006 119.800 0.005 0.000 2.284 288 Q HA 0.178 4.518 4.340 -0.000 0.000 0.269 288 Q C -0.583 175.421 176.000 0.008 0.000 1.026 288 Q CA -0.214 55.588 55.803 -0.001 0.000 0.831 288 Q CB 1.880 30.613 28.738 -0.008 0.000 1.322 288 Q HN 0.064 nan 8.270 nan 0.000 0.419 289 L N 3.795 125.022 121.223 0.006 0.000 2.433 289 L HA 0.413 4.753 4.340 -0.000 0.000 0.200 289 L C -0.504 176.348 176.870 -0.030 0.000 1.059 289 L CA 0.935 55.740 54.840 -0.058 0.000 0.835 289 L CB 0.695 42.655 42.059 -0.166 0.000 1.076 289 L HN 0.551 nan 8.230 nan 0.000 0.481 290 L N 0.014 121.245 121.223 0.013 0.000 2.334 290 L HA 0.386 4.726 4.340 -0.000 0.000 0.270 290 L C -1.598 175.272 176.870 0.000 0.000 1.018 290 L CA -1.777 53.035 54.840 -0.047 0.000 0.811 290 L CB 0.521 42.476 42.059 -0.173 0.000 1.271 290 L HN -0.176 nan 8.230 nan 0.000 0.443 291 P HA -0.021 nan 4.420 nan 0.000 0.220 291 P C 0.211 177.423 177.300 -0.147 0.000 1.152 291 P CA 0.851 63.927 63.100 -0.041 0.000 0.812 291 P CB 0.213 31.877 31.700 -0.061 0.000 0.792 292 T N -5.175 109.144 114.554 -0.391 0.000 2.773 292 T HA 0.554 4.904 4.350 -0.000 0.000 0.278 292 T C 1.490 175.628 174.700 -0.937 0.000 1.011 292 T CA -0.213 61.550 62.100 -0.563 0.000 1.014 292 T CB 0.786 69.439 68.868 -0.358 0.000 1.293 292 T HN -0.073 nan 8.240 nan 0.000 0.554 293 G N -0.052 108.401 108.800 -0.577 0.000 2.408 293 G HA2 0.250 4.210 3.960 -0.000 0.000 0.217 293 G HA3 0.250 4.210 3.960 -0.000 0.000 0.217 293 G C 0.311 175.065 174.900 -0.244 0.000 1.150 293 G CA 0.687 45.620 45.100 -0.278 0.000 0.776 293 G HN 0.813 nan 8.290 nan 0.000 0.542 294 T N -0.699 113.675 114.554 -0.299 0.000 2.952 294 T HA 0.502 4.852 4.350 -0.000 0.000 0.305 294 T C -1.235 173.292 174.700 -0.289 0.000 1.064 294 T CA -0.427 61.525 62.100 -0.248 0.000 1.008 294 T CB 2.803 71.591 68.868 -0.134 0.000 1.078 294 T HN -0.080 nan 8.240 nan 0.000 0.459 295 V N 3.950 123.705 119.914 -0.265 0.000 2.409 295 V HA 0.467 4.587 4.120 -0.000 0.000 0.291 295 V C -0.293 175.585 176.094 -0.359 0.000 1.020 295 V CA -1.043 61.061 62.300 -0.326 0.000 0.848 295 V CB 1.709 33.327 31.823 -0.342 0.000 0.990 295 V HN 0.740 nan 8.190 nan 0.000 0.430 296 N N 2.794 121.294 118.700 -0.333 0.000 2.524 296 N HA 0.430 5.170 4.740 -0.000 0.000 0.283 296 N C -1.054 174.254 175.510 -0.336 0.000 1.142 296 N CA -0.149 52.806 53.050 -0.158 0.000 0.984 296 N CB 0.884 39.336 38.487 -0.058 0.000 1.155 296 N HN 0.590 nan 8.380 nan 0.000 0.467 297 Y N 1.281 121.693 120.300 0.186 0.000 2.863 297 Y HA 0.299 4.849 4.550 -0.000 0.000 0.348 297 Y C -1.517 174.434 175.900 0.084 0.000 1.028 297 Y CA -1.596 56.581 58.100 0.129 0.000 1.213 297 Y CB 1.624 40.197 38.460 0.187 0.000 1.120 297 Y HN 0.543 nan 8.280 nan 0.000 0.598 298 P HA -0.078 nan 4.420 nan 0.000 0.219 298 P C 0.567 177.882 177.300 0.025 0.000 1.150 298 P CA 1.488 64.665 63.100 0.128 0.000 0.814 298 P CB 0.521 32.202 31.700 -0.033 0.000 0.787 299 N N -1.634 117.062 118.700 -0.006 0.000 2.166 299 N HA 0.090 4.830 4.740 -0.000 0.000 0.213 299 N C -0.275 175.178 175.510 -0.096 0.000 1.222 299 N CA 0.345 53.359 53.050 -0.060 0.000 0.900 299 N CB 0.780 39.212 38.487 -0.091 0.000 1.055 299 N HN 0.185 nan 8.380 nan 0.000 0.515 300 D N -0.027 120.321 120.400 -0.085 0.000 2.547 300 D HA 0.364 5.004 4.640 -0.000 0.000 0.231 300 D C -0.478 175.630 176.300 -0.320 0.000 1.099 300 D CA -0.218 53.601 54.000 -0.303 0.000 0.901 300 D CB 1.985 42.511 40.800 -0.457 0.000 1.478 300 D HN -0.180 nan 8.370 nan 0.000 0.471 301 Y N -0.726 119.355 120.300 -0.365 0.000 2.506 301 Y HA -0.220 4.330 4.550 -0.000 0.000 0.020 301 Y C 0.954 176.545 175.900 -0.515 0.000 1.702 301 Y CA -0.052 57.671 58.100 -0.628 0.000 1.419 301 Y CB -1.072 36.571 38.460 -1.361 0.000 2.065 301 Y HN 0.519 nan 8.280 nan 0.000 0.254 302 A N 0.554 123.207 122.820 -0.279 0.000 2.021 302 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 302 A C 0.331 177.834 177.584 -0.136 0.000 1.163 302 A CA 1.226 53.220 52.037 -0.072 0.000 0.676 302 A CB -0.562 18.551 19.000 0.188 0.000 0.818 302 A HN 0.664 nan 8.150 nan 0.000 0.453 303 Y N -1.314 118.847 120.300 -0.232 0.000 2.300 303 Y HA 0.471 5.021 4.550 -0.000 0.000 0.328 303 Y C 1.468 177.247 175.900 -0.202 0.000 1.270 303 Y CA -0.255 57.545 58.100 -0.500 0.000 1.352 303 Y CB -0.106 37.920 38.460 -0.724 0.000 1.286 303 Y HN 0.031 nan 8.280 nan 0.000 0.536 304 T N -1.513 113.029 114.554 -0.020 0.000 3.035 304 T HA 0.234 4.584 4.350 -0.000 0.000 0.259 304 T C 0.198 175.019 174.700 0.202 0.000 1.078 304 T CA 0.408 62.442 62.100 -0.111 0.000 1.132 304 T CB -0.184 68.451 68.868 -0.388 0.000 0.900 304 T HN 0.858 nan 8.240 nan 0.000 0.480 305 R N -0.487 120.174 120.500 0.268 0.000 2.753 305 R HA 0.606 4.946 4.340 -0.000 0.000 0.272 305 R C -2.343 173.957 176.300 -0.001 0.000 1.034 305 R CA -1.087 55.145 56.100 0.219 0.000 0.869 305 R CB 1.145 31.507 30.300 0.103 0.000 1.264 305 R HN 0.015 nan 8.270 nan 0.000 0.481 306 V N 0.597 120.433 119.914 -0.129 0.000 2.555 306 V HA 0.648 4.768 4.120 -0.000 0.000 0.302 306 V C -0.314 175.552 176.094 -0.379 0.000 1.038 306 V CA -0.822 61.188 62.300 -0.484 0.000 0.887 306 V CB 1.838 33.293 31.823 -0.613 0.000 0.991 306 V HN 0.812 nan 8.190 nan 0.000 0.434 307 S N 2.289 117.712 115.700 -0.461 0.000 2.513 307 S HA 0.562 5.031 4.470 -0.000 0.000 0.299 307 S C -0.681 173.584 174.600 -0.558 0.000 1.087 307 S CA -0.654 57.274 58.200 -0.453 0.000 1.012 307 S CB 1.915 64.831 63.200 -0.473 0.000 1.044 307 S HN 0.868 nan 8.310 nan 0.000 0.485 308 E N 1.692 121.646 120.200 -0.409 0.000 2.145 308 E HA 0.329 4.678 4.350 -0.000 0.000 0.262 308 E C -0.384 176.105 176.600 -0.184 0.000 0.883 308 E CA -0.407 55.845 56.400 -0.247 0.000 0.748 308 E CB 0.441 30.157 29.700 0.027 0.000 1.140 308 E HN 0.602 nan 8.360 nan 0.000 0.417 309 F N 3.129 123.039 119.950 -0.065 0.000 2.216 309 F HA -0.119 4.408 4.527 -0.000 0.000 0.300 309 F C 2.044 177.768 175.800 -0.128 0.000 1.085 309 F CA 0.859 58.769 58.000 -0.150 0.000 1.326 309 F CB 0.027 38.869 39.000 -0.264 0.000 1.027 309 F HN 0.428 nan 8.300 nan 0.000 0.497 310 K N -0.544 119.884 120.400 0.048 0.000 2.097 310 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 310 K C 1.855 178.398 176.600 -0.094 0.000 1.049 310 K CA 1.243 57.501 56.287 -0.048 0.000 0.933 310 K CB -0.364 32.084 32.500 -0.087 0.000 0.717 310 K HN 0.392 nan 8.250 nan 0.000 0.442 311 H N 0.265 119.299 119.070 -0.061 0.000 2.387 311 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 311 H C 2.162 177.347 175.328 -0.240 0.000 1.099 311 H CA 1.435 57.449 56.048 -0.056 0.000 1.315 311 H CB -0.006 29.761 29.762 0.007 0.000 1.380 311 H HN 0.186 nan 8.280 nan 0.000 0.513 312 I N 0.477 120.957 120.570 -0.150 0.000 2.277 312 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 312 I C 2.699 178.592 176.117 -0.374 0.000 1.094 312 I CA 1.521 62.546 61.300 -0.459 0.000 1.393 312 I CB -0.106 37.860 38.000 -0.057 0.000 1.078 312 I HN 0.283 nan 8.210 nan 0.000 0.417 313 T N -2.097 112.367 114.554 -0.151 0.000 3.014 313 T HA 0.136 4.485 4.350 -0.000 0.000 0.263 313 T C 1.685 176.335 174.700 -0.084 0.000 1.078 313 T CA 0.669 62.711 62.100 -0.096 0.000 1.135 313 T CB 0.070 68.888 68.868 -0.083 0.000 0.895 313 T HN 0.513 nan 8.240 nan 0.000 0.480 314 G N 1.109 109.856 108.800 -0.088 0.000 2.143 314 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.249 314 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.249 314 G C -0.129 174.761 174.900 -0.017 0.000 0.981 314 G CA 0.291 45.366 45.100 -0.043 0.000 0.665 314 G HN 0.920 nan 8.290 nan 0.000 0.528 315 Q N -0.154 119.634 119.800 -0.019 0.000 2.392 315 Q HA 0.446 4.786 4.340 -0.000 0.000 0.262 315 Q C 0.556 176.579 176.000 0.039 0.000 1.003 315 Q CA -0.325 55.490 55.803 0.021 0.000 0.888 315 Q CB 0.396 29.142 28.738 0.013 0.000 1.260 315 Q HN 0.484 nan 8.270 nan 0.000 0.435 316 R N 2.638 123.185 120.500 0.078 0.000 2.346 316 R HA 0.333 4.673 4.340 -0.000 0.000 0.311 316 R C -1.383 175.018 176.300 0.167 0.000 0.983 316 R CA -0.308 55.845 56.100 0.088 0.000 0.880 316 R CB 0.891 31.228 30.300 0.062 0.000 1.100 316 R HN 0.725 nan 8.270 nan 0.000 0.453 317 H N 2.483 121.568 119.070 0.024 0.000 3.094 317 H HA 0.076 4.632 4.556 -0.000 0.000 0.346 317 H C 0.098 175.434 175.328 0.013 0.000 1.238 317 H CA -0.503 55.554 56.048 0.015 0.000 1.209 317 H CB 1.196 30.912 29.762 -0.076 0.000 1.911 317 H HN 0.928 nan 8.280 nan 0.000 0.540 318 H N 1.271 120.269 119.070 -0.121 0.000 2.524 318 H HA 0.112 4.668 4.556 -0.000 0.000 0.282 318 H C -0.076 175.319 175.328 0.111 0.000 1.016 318 H CA 0.283 56.320 56.048 -0.018 0.000 1.270 318 H CB 0.852 30.564 29.762 -0.084 0.000 1.394 318 H HN 0.416 nan 8.280 nan 0.000 0.568 319 Q N -0.044 119.730 119.800 -0.043 0.000 2.712 319 Q HA 0.529 4.869 4.340 -0.000 0.000 0.267 319 Q C -0.650 175.386 176.000 0.060 0.000 1.062 319 Q CA -0.837 54.998 55.803 0.053 0.000 0.888 319 Q CB 2.587 31.326 28.738 0.001 0.000 1.374 319 Q HN 0.142 nan 8.270 nan 0.000 0.498 320 T N -0.636 113.936 114.554 0.030 0.000 2.883 320 T HA 0.572 4.922 4.350 -0.000 0.000 0.301 320 T C -1.556 173.169 174.700 0.042 0.000 1.158 320 T CA -0.458 61.647 62.100 0.008 0.000 1.007 320 T CB 1.613 70.499 68.868 0.030 0.000 1.186 320 T HN 0.423 nan 8.240 nan 0.000 0.499 321 S N 1.297 117.028 115.700 0.052 0.000 2.557 321 S HA 0.743 5.213 4.470 -0.000 0.000 0.291 321 S C -0.453 174.256 174.600 0.182 0.000 1.116 321 S CA -0.682 57.596 58.200 0.130 0.000 0.992 321 S CB 1.430 64.682 63.200 0.087 0.000 1.028 321 S HN 0.864 nan 8.310 nan 0.000 0.484 322 V N 0.587 120.589 119.914 0.146 0.000 3.113 322 V HA 0.978 5.098 4.120 -0.000 0.000 0.316 322 V C -0.574 175.509 176.094 -0.019 0.000 1.125 322 V CA -0.815 61.450 62.300 -0.058 0.000 1.026 322 V CB 1.757 33.457 31.823 -0.204 0.000 1.080 322 V HN 0.620 nan 8.190 nan 0.000 0.444 323 V N 1.914 121.663 119.914 -0.275 0.000 2.686 323 V HA 0.648 4.768 4.120 -0.000 0.000 0.306 323 V C -1.674 174.177 176.094 -0.406 0.000 1.065 323 V CA -0.422 61.723 62.300 -0.257 0.000 0.894 323 V CB 1.933 33.636 31.823 -0.201 0.000 1.004 323 V HN 0.868 nan 8.190 nan 0.000 0.424 324 Y N 3.817 124.011 120.300 -0.177 0.000 2.330 324 Y HA 0.547 5.097 4.550 -0.000 0.000 0.336 324 Y C 0.574 176.370 175.900 -0.174 0.000 1.036 324 Y CA -0.343 57.581 58.100 -0.293 0.000 1.125 324 Y CB 1.572 39.767 38.460 -0.443 0.000 1.194 324 Y HN 0.575 nan 8.280 nan 0.000 0.469 325 E N 3.220 123.364 120.200 -0.093 0.000 2.109 325 E HA 0.251 4.601 4.350 -0.000 0.000 0.278 325 E C -1.618 174.839 176.600 -0.237 0.000 0.954 325 E CA -0.661 55.700 56.400 -0.065 0.000 0.779 325 E CB 0.931 30.649 29.700 0.031 0.000 1.093 325 E HN 0.514 nan 8.360 nan 0.000 0.401 326 Y N 3.326 123.603 120.300 -0.038 0.000 2.334 326 Y HA 0.278 4.827 4.550 -0.000 0.000 0.336 326 Y C -2.168 173.670 175.900 -0.104 0.000 0.960 326 Y CA -2.846 55.233 58.100 -0.035 0.000 1.164 326 Y CB 1.105 39.558 38.460 -0.012 0.000 1.155 326 Y HN 0.401 nan 8.280 nan 0.000 0.478 327 P HA 0.224 nan 4.420 nan 0.000 0.271 327 P C -0.526 176.783 177.300 0.015 0.000 1.216 327 P CA -0.247 62.825 63.100 -0.047 0.000 0.776 327 P CB 0.783 32.404 31.700 -0.133 0.000 0.881 328 R N 1.868 122.385 120.500 0.028 0.000 2.621 328 R HA 0.504 4.844 4.340 -0.000 0.000 0.284 328 R C 0.676 177.019 176.300 0.072 0.000 0.998 328 R CA -0.848 55.283 56.100 0.052 0.000 0.895 328 R CB 1.931 32.267 30.300 0.059 0.000 1.195 328 R HN 0.405 nan 8.270 nan 0.000 0.450 329 A N 1.802 124.664 122.820 0.070 0.000 1.968 329 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 329 A C 0.607 178.250 177.584 0.097 0.000 1.169 329 A CA 1.213 53.304 52.037 0.089 0.000 0.638 329 A CB 0.095 19.142 19.000 0.078 0.000 0.812 329 A HN 0.626 nan 8.150 nan 0.000 0.446 330 E N -2.539 117.708 120.200 0.078 0.000 2.235 330 E HA 0.540 4.890 4.350 -0.000 0.000 0.265 330 E C 0.157 176.798 176.600 0.068 0.000 0.940 330 E CA 0.545 56.987 56.400 0.070 0.000 0.819 330 E CB 1.642 31.373 29.700 0.051 0.000 1.206 330 E HN 0.732 nan 8.360 nan 0.000 0.409 331 G N 1.873 110.705 108.800 0.053 0.000 2.343 331 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.562 331 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.562 331 G C -1.386 173.496 174.900 -0.031 0.000 1.269 331 G CA -0.775 44.349 45.100 0.039 0.000 1.011 331 G HN 0.548 nan 8.290 nan 0.000 0.498 332 D N 2.516 122.858 120.400 -0.095 0.000 2.533 332 D HA 0.345 4.985 4.640 -0.000 0.000 0.236 332 D C -1.657 174.303 176.300 -0.566 0.000 1.137 332 D CA 0.104 53.916 54.000 -0.313 0.000 0.867 332 D CB 0.827 41.412 40.800 -0.359 0.000 1.170 332 D HN 0.294 nan 8.370 nan 0.000 0.474 333 P HA 0.033 nan 4.420 nan 0.000 0.271 333 P C -0.394 176.630 177.300 -0.460 0.000 1.226 333 P CA 0.196 63.089 63.100 -0.346 0.000 0.765 333 P CB 0.412 31.804 31.700 -0.514 0.000 0.835 334 Y N 1.423 121.778 120.300 0.092 0.000 2.652 334 Y HA 0.198 4.748 4.550 -0.000 0.000 0.275 334 Y C 0.526 176.332 175.900 -0.157 0.000 1.133 334 Y CA -0.067 58.012 58.100 -0.036 0.000 1.246 334 Y CB 0.374 38.821 38.460 -0.022 0.000 1.334 334 Y HN 0.201 nan 8.280 nan 0.000 0.493 335 Y N 1.405 121.860 120.300 0.258 0.000 2.341 335 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 335 Y C -2.577 173.406 175.900 0.139 0.000 0.965 335 Y CA -3.421 54.748 58.100 0.116 0.000 1.108 335 Y CB 1.022 39.447 38.460 -0.058 0.000 1.180 335 Y HN -0.184 nan 8.280 nan 0.000 0.458 336 P HA 0.066 nan 4.420 nan 0.000 0.272 336 P C -0.781 176.387 177.300 -0.220 0.000 1.223 336 P CA -0.220 62.576 63.100 -0.507 0.000 0.784 336 P CB 0.793 31.849 31.700 -1.073 0.000 0.923 337 V N 4.336 124.147 119.914 -0.171 0.000 2.259 337 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 337 V C -2.139 173.887 176.094 -0.115 0.000 1.051 337 V CA -1.728 60.553 62.300 -0.031 0.000 0.830 337 V CB 0.619 32.519 31.823 0.129 0.000 1.080 337 V HN 0.484 nan 8.190 nan 0.000 0.467 338 P HA 0.243 nan 4.420 nan 0.000 0.266 338 P C -0.262 176.962 177.300 -0.127 0.000 1.419 338 P CA 0.143 63.151 63.100 -0.154 0.000 1.112 338 P CB -0.006 31.596 31.700 -0.164 0.000 1.438 339 R N 2.670 123.149 120.500 -0.034 0.000 2.680 339 R HA 0.505 4.845 4.340 -0.000 0.000 0.269 339 R C -2.713 173.597 176.300 0.016 0.000 1.026 339 R CA -2.124 53.959 56.100 -0.028 0.000 0.889 339 R CB 0.163 30.440 30.300 -0.038 0.000 1.241 339 R HN -0.135 nan 8.270 nan 0.000 0.463 340 P HA -0.325 nan 4.420 nan 0.000 0.215 340 P C 0.973 178.289 177.300 0.026 0.000 1.163 340 P CA 2.141 65.251 63.100 0.017 0.000 0.894 340 P CB 0.087 31.790 31.700 0.005 0.000 0.791 341 E N -0.996 119.218 120.200 0.023 0.000 2.153 341 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 341 E C 1.544 178.168 176.600 0.040 0.000 0.988 341 E CA 1.283 57.699 56.400 0.026 0.000 0.811 341 E CB -0.744 28.971 29.700 0.026 0.000 0.746 341 E HN 0.161 nan 8.360 nan 0.000 0.466 342 N N 0.967 119.702 118.700 0.058 0.000 2.300 342 N HA 0.012 4.752 4.740 -0.000 0.000 0.179 342 N C 1.760 177.323 175.510 0.088 0.000 1.016 342 N CA 1.286 54.381 53.050 0.075 0.000 0.876 342 N CB -0.295 38.273 38.487 0.135 0.000 0.979 342 N HN 0.347 nan 8.380 nan 0.000 0.432 343 A N 1.552 124.444 122.820 0.119 0.000 1.908 343 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 343 A C 2.075 179.733 177.584 0.123 0.000 1.181 343 A CA 1.401 53.530 52.037 0.154 0.000 0.627 343 A CB -0.475 18.596 19.000 0.117 0.000 0.818 343 A HN 0.327 nan 8.150 nan 0.000 0.445 344 E N -0.436 119.800 120.200 0.060 0.000 2.031 344 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 344 E C 2.026 178.624 176.600 -0.004 0.000 0.994 344 E CA 1.177 57.585 56.400 0.014 0.000 0.800 344 E CB -0.320 29.376 29.700 -0.008 0.000 0.752 344 E HN 0.601 nan 8.360 nan 0.000 0.447 345 L N 0.437 121.672 121.223 0.020 0.000 2.079 345 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 345 L C 2.545 179.489 176.870 0.123 0.000 1.081 345 L CA 1.215 56.081 54.840 0.043 0.000 0.752 345 L CB -0.197 41.915 42.059 0.088 0.000 0.896 345 L HN 0.232 nan 8.230 nan 0.000 0.433 346 Y N 0.692 120.965 120.300 -0.044 0.000 2.200 346 Y HA -0.272 4.278 4.550 -0.000 0.000 0.290 346 Y C 2.475 178.404 175.900 0.048 0.000 1.137 346 Y CA 1.627 59.700 58.100 -0.046 0.000 1.163 346 Y CB -0.214 38.104 38.460 -0.238 0.000 0.988 346 Y HN 0.020 nan 8.280 nan 0.000 0.518 347 K N 0.478 120.762 120.400 -0.192 0.000 2.089 347 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 347 K C 2.020 178.454 176.600 -0.275 0.000 1.048 347 K CA 2.254 58.379 56.287 -0.270 0.000 0.926 347 K CB -0.101 32.331 32.500 -0.113 0.000 0.714 347 K HN 0.418 nan 8.250 nan 0.000 0.448 348 K N -0.306 119.959 120.400 -0.225 0.000 2.057 348 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 348 K C 2.144 178.666 176.600 -0.130 0.000 1.049 348 K CA 1.575 57.703 56.287 -0.264 0.000 0.931 348 K CB -0.439 31.714 32.500 -0.579 0.000 0.714 348 K HN 0.255 nan 8.250 nan 0.000 0.440 349 Y N 1.914 122.178 120.300 -0.061 0.000 2.242 349 Y HA -0.167 4.383 4.550 -0.000 0.000 0.291 349 Y C 2.707 178.403 175.900 -0.339 0.000 1.137 349 Y CA 1.289 59.313 58.100 -0.126 0.000 1.181 349 Y CB -0.047 38.433 38.460 0.035 0.000 0.989 349 Y HN 0.241 nan 8.280 nan 0.000 0.527 350 E N 0.268 120.222 120.200 -0.410 0.000 2.077 350 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 350 E C 2.342 178.765 176.600 -0.294 0.000 0.989 350 E CA 0.920 57.031 56.400 -0.481 0.000 0.800 350 E CB -0.160 29.117 29.700 -0.705 0.000 0.746 350 E HN 0.430 nan 8.360 nan 0.000 0.452 351 A N 1.322 123.992 122.820 -0.251 0.000 1.883 351 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 351 A C 2.225 179.685 177.584 -0.206 0.000 1.186 351 A CA 1.401 53.327 52.037 -0.186 0.000 0.624 351 A CB -0.829 18.076 19.000 -0.159 0.000 0.822 351 A HN 0.333 nan 8.150 nan 0.000 0.444 352 L N -0.987 120.045 121.223 -0.319 0.000 2.079 352 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 352 L C 3.072 179.758 176.870 -0.306 0.000 1.081 352 L CA 1.050 55.597 54.840 -0.488 0.000 0.752 352 L CB -0.563 40.806 42.059 -1.150 0.000 0.896 352 L HN 0.490 nan 8.230 nan 0.000 0.433 353 A N -0.156 122.493 122.820 -0.285 0.000 1.854 353 A HA -0.192 4.128 4.320 -0.000 0.000 0.214 353 A C 1.891 179.382 177.584 -0.155 0.000 1.192 353 A CA 1.664 53.482 52.037 -0.365 0.000 0.611 353 A CB -0.478 18.016 19.000 -0.844 0.000 0.832 353 A HN 0.335 nan 8.150 nan 0.000 0.442 354 D N 0.215 120.544 120.400 -0.118 0.000 2.309 354 D HA -0.014 4.626 4.640 -0.000 0.000 0.212 354 D C 1.933 178.246 176.300 0.021 0.000 0.968 354 D CA 1.223 55.213 54.000 -0.016 0.000 0.882 354 D CB -0.178 40.605 40.800 -0.028 0.000 0.918 354 D HN 0.463 nan 8.370 nan 0.000 0.503 355 A N 0.922 123.743 122.820 0.000 0.000 1.975 355 A HA 0.270 4.590 4.320 -0.000 0.000 0.215 355 A C 1.494 179.137 177.584 0.099 0.000 1.170 355 A CA 0.589 52.642 52.037 0.028 0.000 0.656 355 A CB -0.303 18.686 19.000 -0.019 0.000 0.821 355 A HN 0.173 nan 8.150 nan 0.000 0.449 356 A N 0.997 123.919 122.820 0.171 0.000 2.550 356 A HA 0.182 4.502 4.320 -0.000 0.000 0.263 356 A C 1.204 178.914 177.584 0.210 0.000 1.065 356 A CA 0.123 52.321 52.037 0.269 0.000 0.786 356 A CB 0.013 19.284 19.000 0.450 0.000 0.985 356 A HN 0.555 nan 8.150 nan 0.000 0.518 357 Q N 1.863 121.764 119.800 0.168 0.000 2.050 357 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 357 Q C -0.061 176.041 176.000 0.170 0.000 0.980 357 Q CA 1.446 57.334 55.803 0.141 0.000 0.840 357 Q CB 0.068 28.868 28.738 0.104 0.000 0.898 357 Q HN 0.827 nan 8.270 nan 0.000 0.424 358 D N 0.292 120.775 120.400 0.138 0.000 2.670 358 D HA 0.235 4.875 4.640 -0.000 0.000 0.255 358 D C -0.814 175.352 176.300 -0.223 0.000 1.286 358 D CA 0.053 54.104 54.000 0.085 0.000 0.830 358 D CB 1.205 42.042 40.800 0.061 0.000 1.065 358 D HN -0.095 nan 8.370 nan 0.000 0.486 359 V N 0.722 120.601 119.914 -0.058 0.000 2.577 359 V HA 0.335 4.455 4.120 -0.000 0.000 0.303 359 V C 0.109 176.232 176.094 0.049 0.000 1.042 359 V CA -0.562 61.636 62.300 -0.169 0.000 0.872 359 V CB 2.273 34.031 31.823 -0.109 0.000 0.998 359 V HN -0.068 nan 8.190 nan 0.000 0.423 360 T N 5.005 119.563 114.554 0.006 0.000 2.771 360 T HA 0.652 5.002 4.350 -0.000 0.000 0.281 360 T C -0.730 173.987 174.700 0.028 0.000 0.982 360 T CA -0.135 62.092 62.100 0.212 0.000 0.978 360 T CB 0.668 69.740 68.868 0.341 0.000 0.930 360 T HN 0.279 nan 8.240 nan 0.000 0.447 361 F N 2.598 122.583 119.950 0.060 0.000 2.404 361 F HA 0.641 5.168 4.527 -0.000 0.000 0.354 361 F C 0.228 176.086 175.800 0.097 0.000 1.122 361 F CA -0.867 57.169 58.000 0.060 0.000 1.080 361 F CB 1.351 40.396 39.000 0.075 0.000 1.131 361 F HN 0.262 nan 8.300 nan 0.000 0.471 362 V N 2.980 123.002 119.914 0.179 0.000 2.932 362 V HA 0.959 5.079 4.120 -0.000 0.000 0.307 362 V C -0.484 175.680 176.094 0.117 0.000 1.147 362 V CA 0.194 62.590 62.300 0.160 0.000 0.951 362 V CB 1.534 33.429 31.823 0.119 0.000 1.031 362 V HN 1.116 nan 8.190 nan 0.000 0.426 363 G N 4.735 113.632 108.800 0.161 0.000 2.355 363 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.619 363 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.619 363 G C 0.000 174.999 174.900 0.165 0.000 1.337 363 G CA 0.092 45.279 45.100 0.146 0.000 0.993 363 G HN 1.056 nan 8.290 nan 0.000 0.599 364 R N -0.553 120.043 120.500 0.160 0.000 2.073 364 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 364 R C 2.430 178.803 176.300 0.123 0.000 1.134 364 R CA 1.987 58.168 56.100 0.135 0.000 0.952 364 R CB -0.359 30.038 30.300 0.161 0.000 0.850 364 R HN 0.536 nan 8.270 nan 0.000 0.433 365 L N -0.359 120.935 121.223 0.118 0.000 2.068 365 L HA 0.008 4.348 4.340 -0.000 0.000 0.204 365 L C 2.717 179.752 176.870 0.275 0.000 1.076 365 L CA 1.060 56.001 54.840 0.168 0.000 0.753 365 L CB -0.579 41.437 42.059 -0.072 0.000 0.910 365 L HN 0.248 nan 8.230 nan 0.000 0.439 366 A N 0.246 123.186 122.820 0.200 0.000 1.930 366 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 366 A C 2.205 180.040 177.584 0.419 0.000 1.175 366 A CA 2.113 54.358 52.037 0.347 0.000 0.627 366 A CB -0.759 18.404 19.000 0.271 0.000 0.815 366 A HN 0.505 nan 8.150 nan 0.000 0.443 367 T N -7.047 107.675 114.554 0.281 0.000 3.145 367 T HA 0.199 4.549 4.350 -0.000 0.000 0.255 367 T C 0.326 174.973 174.700 -0.088 0.000 1.039 367 T CA 0.193 62.432 62.100 0.232 0.000 0.928 367 T CB -0.445 68.551 68.868 0.214 0.000 1.029 367 T HN 0.647 nan 8.240 nan 0.000 0.554 368 Y N 1.843 122.008 120.300 -0.225 0.000 3.168 368 Y HA -0.253 4.297 4.550 -0.000 0.000 0.207 368 Y C -0.146 175.546 175.900 -0.347 0.000 1.280 368 Y CA -0.022 57.850 58.100 -0.381 0.000 1.235 368 Y CB -1.792 36.105 38.460 -0.940 0.000 1.370 368 Y HN 0.448 nan 8.280 nan 0.000 0.537 369 R N 0.978 121.298 120.500 -0.301 0.000 2.599 369 R HA 0.276 4.615 4.340 -0.000 0.000 0.295 369 R C -0.696 175.459 176.300 -0.241 0.000 0.963 369 R CA -1.078 54.760 56.100 -0.437 0.000 0.883 369 R CB 0.906 30.653 30.300 -0.921 0.000 1.171 369 R HN 0.163 nan 8.270 nan 0.000 0.450 370 Y N 4.427 124.578 120.300 -0.249 0.000 2.603 370 Y HA 0.087 4.637 4.550 -0.000 0.000 0.341 370 Y C -1.105 174.881 175.900 0.143 0.000 1.272 370 Y CA -0.586 57.519 58.100 0.007 0.000 1.891 370 Y CB -0.462 38.057 38.460 0.098 0.000 1.910 370 Y HN 0.374 nan 8.280 nan 0.000 0.432 371 Y N 1.887 122.321 120.300 0.224 0.000 2.334 371 Y HA 0.276 4.826 4.550 -0.000 0.000 0.328 371 Y C 0.681 176.616 175.900 0.060 0.000 1.130 371 Y CA -1.550 56.603 58.100 0.088 0.000 1.163 371 Y CB 0.745 39.248 38.460 0.072 0.000 1.207 371 Y HN 0.327 nan 8.280 nan 0.000 0.471 372 N N 1.989 120.764 118.700 0.125 0.000 2.379 372 N HA 0.179 4.919 4.740 -0.000 0.000 0.260 372 N C 1.250 176.703 175.510 -0.094 0.000 1.254 372 N CA -0.219 52.821 53.050 -0.017 0.000 0.958 372 N CB 0.533 38.914 38.487 -0.177 0.000 1.208 372 N HN 0.655 nan 8.380 nan 0.000 0.532 373 M N 0.241 119.752 119.600 -0.149 0.000 2.108 373 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 373 M C 1.335 177.414 176.300 -0.368 0.000 1.066 373 M CA 1.533 56.667 55.300 -0.276 0.000 1.107 373 M CB -0.329 32.140 32.600 -0.218 0.000 1.356 373 M HN 0.562 nan 8.290 nan 0.000 0.406 374 D N -0.136 120.040 120.400 -0.373 0.000 2.144 374 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 374 D C 1.675 177.819 176.300 -0.261 0.000 0.978 374 D CA 1.389 55.216 54.000 -0.289 0.000 0.833 374 D CB -0.661 39.842 40.800 -0.496 0.000 0.961 374 D HN 0.478 nan 8.370 nan 0.000 0.470 375 Q N 0.222 119.819 119.800 -0.337 0.000 2.119 375 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 375 Q C 2.585 178.326 176.000 -0.431 0.000 0.972 375 Q CA 1.000 56.514 55.803 -0.482 0.000 0.847 375 Q CB 0.111 28.393 28.738 -0.759 0.000 0.903 375 Q HN 0.195 nan 8.270 nan 0.000 0.433 376 V N 0.176 119.958 119.914 -0.220 0.000 2.427 376 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 376 V C 2.152 178.237 176.094 -0.014 0.000 1.051 376 V CA 1.216 63.505 62.300 -0.018 0.000 1.048 376 V CB -0.265 31.623 31.823 0.109 0.000 0.666 376 V HN 0.183 nan 8.190 nan 0.000 0.456 377 V N 0.301 120.172 119.914 -0.072 0.000 2.358 377 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 377 V C 2.675 178.738 176.094 -0.052 0.000 1.047 377 V CA 1.835 64.125 62.300 -0.016 0.000 1.035 377 V CB -1.101 30.727 31.823 0.008 0.000 0.658 377 V HN 0.547 nan 8.190 nan 0.000 0.452 378 A N -0.241 122.527 122.820 -0.086 0.000 1.851 378 A HA -0.332 3.988 4.320 -0.000 0.000 0.216 378 A C 2.292 179.846 177.584 -0.050 0.000 1.195 378 A CA 2.216 54.204 52.037 -0.082 0.000 0.622 378 A CB -0.742 18.188 19.000 -0.117 0.000 0.831 378 A HN 0.578 nan 8.150 nan 0.000 0.444 379 Q N -0.517 119.253 119.800 -0.050 0.000 2.181 379 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 379 Q C 2.036 178.072 176.000 0.060 0.000 0.980 379 Q CA 1.713 57.536 55.803 0.033 0.000 0.862 379 Q CB -0.313 28.489 28.738 0.108 0.000 0.905 379 Q HN 0.609 nan 8.270 nan 0.000 0.429 380 A N 0.587 123.431 122.820 0.040 0.000 1.898 380 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 380 A C 2.027 179.628 177.584 0.029 0.000 1.183 380 A CA 0.779 52.842 52.037 0.044 0.000 0.622 380 A CB -0.478 18.546 19.000 0.040 0.000 0.824 380 A HN 0.419 nan 8.150 nan 0.000 0.444 381 L N -0.654 120.551 121.223 -0.029 0.000 2.093 381 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 381 L C 3.077 179.990 176.870 0.071 0.000 1.085 381 L CA 0.964 55.786 54.840 -0.030 0.000 0.755 381 L CB -0.495 41.477 42.059 -0.145 0.000 0.904 381 L HN 0.434 nan 8.230 nan 0.000 0.435 382 A N -0.345 122.500 122.820 0.042 0.000 1.877 382 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 382 A C 2.361 179.982 177.584 0.063 0.000 1.186 382 A CA 2.342 54.407 52.037 0.047 0.000 0.620 382 A CB -0.965 18.058 19.000 0.039 0.000 0.822 382 A HN 0.367 nan 8.150 nan 0.000 0.443 383 T N -0.593 114.012 114.554 0.085 0.000 2.759 383 T HA -0.149 4.201 4.350 -0.000 0.000 0.269 383 T C 1.575 176.334 174.700 0.098 0.000 1.042 383 T CA 1.575 63.731 62.100 0.094 0.000 1.140 383 T CB -0.403 68.531 68.868 0.111 0.000 0.864 383 T HN 0.496 nan 8.240 nan 0.000 0.455 384 F N 2.548 122.479 119.950 -0.031 0.000 2.102 384 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 384 F C 2.270 178.054 175.800 -0.027 0.000 1.105 384 F CA 1.199 59.168 58.000 -0.051 0.000 1.239 384 F CB -0.299 38.656 39.000 -0.074 0.000 0.991 384 F HN -0.036 nan 8.300 nan 0.000 0.474 385 R N -0.062 120.319 120.500 -0.199 0.000 2.096 385 R HA -0.112 4.228 4.340 -0.000 0.000 0.235 385 R C 2.388 178.563 176.300 -0.208 0.000 1.127 385 R CA 1.485 57.417 56.100 -0.280 0.000 0.968 385 R CB -0.470 29.777 30.300 -0.089 0.000 0.861 385 R HN 0.285 nan 8.270 nan 0.000 0.440 386 R N 0.284 120.722 120.500 -0.104 0.000 2.096 386 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 386 R C 1.326 177.579 176.300 -0.078 0.000 1.127 386 R CA 0.879 56.944 56.100 -0.058 0.000 0.968 386 R CB -0.184 30.118 30.300 0.004 0.000 0.861 386 R HN 0.058 nan 8.270 nan 0.000 0.440 387 L N 1.376 122.535 121.223 -0.107 0.000 2.749 387 L HA -0.081 4.259 4.340 -0.000 0.000 0.245 387 L C 0.656 177.444 176.870 -0.137 0.000 1.156 387 L CA 1.517 56.305 54.840 -0.087 0.000 0.890 387 L CB -0.356 41.682 42.059 -0.034 0.000 1.036 387 L HN 0.202 nan 8.230 nan 0.000 0.441 388 Q N -1.321 118.366 119.800 -0.189 0.000 2.063 388 Q HA 0.384 4.724 4.340 -0.000 0.000 0.245 388 Q C 0.811 176.745 176.000 -0.111 0.000 0.828 388 Q CA 0.275 55.977 55.803 -0.169 0.000 1.089 388 Q CB 0.905 29.472 28.738 -0.285 0.000 1.232 388 Q HN 0.251 nan 8.270 nan 0.000 0.445 389 G N 0.000 108.752 108.800 -0.079 0.000 5.446 389 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 389 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 389 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 389 G HN 0.000 nan 8.290 nan 0.000 0.925