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 3nuz_1_E DATA FIRST_RESID 25 DATA SEQUENCE WSPKDHNLIK SVREDGRFLS SYGVVHAXLR NTEPRYAFHR DFSPKEFRKW DATA SEQUENCE QKGLRHAXEE IXKFPXXXXS PAPVCIKREQ REGYRLEKWE FYPLPKCVST DATA SEQUENCE FLVLIPDNIN KPVPAILCIP GSGGNKEGLA GEPGIAPKLN DRYKDPKLTQ DATA SEQUENCE ALNFVKEGYI AVAVDNPAAG EASDLERYTL GSNYDYDVVS RYLLELGWSY DATA SEQUENCE LGYASYLDXQ VLNWXKTQKH IRKDRIVVSG FSLGTEPXXV LGTLDTSIYA DATA SEQUENCE FVYNDFLCQT QERAEVXTXP DKNGRRPFPN SIRHLIPDFW KNFNFPDIVA DATA SEQUENCE ALAPRPIILT EGGLDRDLDL VRKAYAIVGT PDNVKIYHYK KFSDPDTRKN DATA SEQUENCE VEYLPEGLDR NEYFRXVNVD GPNHYFKSEL VVPWLRKLL 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 25 W HA 0.000 nan 4.660 nan 0.000 0.303 25 W C 0.000 176.546 176.519 0.045 0.000 1.175 25 W CA 0.000 57.366 57.345 0.035 0.000 1.226 25 W CB 0.000 29.459 29.460 -0.001 0.000 1.126 26 S N 1.648 117.181 115.700 -0.279 0.000 2.594 26 S HA 0.591 5.061 4.470 -0.000 0.000 0.296 26 S C -1.862 172.374 174.600 -0.608 0.000 1.124 26 S CA -1.194 56.673 58.200 -0.554 0.000 1.011 26 S CB 2.080 65.151 63.200 -0.214 0.000 1.016 26 S HN 0.207 nan 8.310 nan 0.000 0.485 27 P HA 0.017 nan 4.420 nan 0.000 0.219 27 P C 0.727 177.961 177.300 -0.110 0.000 1.150 27 P CA 0.986 63.813 63.100 -0.454 0.000 0.814 27 P CB 0.147 31.618 31.700 -0.381 0.000 0.787 28 K N -0.643 119.670 120.400 -0.144 0.000 2.362 28 K HA -0.082 4.238 4.320 -0.000 0.000 0.200 28 K C 0.968 177.528 176.600 -0.067 0.000 1.046 28 K CA 0.903 57.141 56.287 -0.082 0.000 0.952 28 K CB -0.298 32.148 32.500 -0.090 0.000 0.753 28 K HN 0.161 nan 8.250 nan 0.000 0.466 29 D N -0.368 119.988 120.400 -0.073 0.000 2.333 29 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 29 D C 0.611 176.731 176.300 -0.300 0.000 0.984 29 D CA 1.000 54.898 54.000 -0.170 0.000 0.873 29 D CB 0.229 40.909 40.800 -0.200 0.000 0.935 29 D HN 0.328 nan 8.370 nan 0.000 0.521 30 H N -0.327 118.769 119.070 0.042 0.000 2.662 30 H HA 0.100 4.656 4.556 -0.000 0.000 0.268 30 H C 1.162 176.508 175.328 0.030 0.000 1.152 30 H CA -0.182 55.908 56.048 0.070 0.000 1.072 30 H CB 0.206 30.068 29.762 0.167 0.000 1.660 30 H HN 0.006 nan 8.280 nan 0.000 0.584 31 N N 0.458 119.201 118.700 0.072 0.000 2.515 31 N HA -0.040 4.700 4.740 -0.000 0.000 0.185 31 N C 0.179 175.688 175.510 -0.001 0.000 1.109 31 N CA 0.189 53.254 53.050 0.025 0.000 0.903 31 N CB 0.454 38.942 38.487 0.002 0.000 0.969 31 N HN 0.196 nan 8.380 nan 0.000 0.450 32 L N 0.881 122.109 121.223 0.009 0.000 2.331 32 L HA 0.409 4.749 4.340 -0.000 0.000 0.275 32 L C -0.401 176.487 176.870 0.030 0.000 1.022 32 L CA -0.687 54.158 54.840 0.009 0.000 0.812 32 L CB 1.389 43.457 42.059 0.014 0.000 1.257 32 L HN -0.024 nan 8.230 nan 0.000 0.435 33 I N 4.919 125.502 120.570 0.022 0.000 2.417 33 I HA 0.318 4.488 4.170 -0.000 0.000 0.283 33 I C -0.248 176.078 176.117 0.348 0.000 1.121 33 I CA -0.437 60.925 61.300 0.103 0.000 1.211 33 I CB -0.232 37.631 38.000 -0.228 0.000 1.492 33 I HN 0.448 nan 8.210 nan 0.000 0.522 34 K N 1.804 122.390 120.400 0.309 0.000 2.295 34 K HA 0.478 4.798 4.320 -0.000 0.000 0.239 34 K C -0.001 176.554 176.600 -0.074 0.000 0.991 34 K CA -0.671 55.744 56.287 0.213 0.000 0.845 34 K CB 2.506 35.048 32.500 0.070 0.000 1.197 34 K HN 0.278 nan 8.250 nan 0.000 0.441 35 S N -0.264 115.146 115.700 -0.483 0.000 2.632 35 S HA 0.224 4.694 4.470 -0.000 0.000 0.267 35 S C 0.664 175.084 174.600 -0.300 0.000 1.276 35 S CA -0.465 57.297 58.200 -0.730 0.000 0.998 35 S CB 0.473 63.216 63.200 -0.761 0.000 0.953 35 S HN 0.380 nan 8.310 nan 0.000 0.547 36 V N 0.703 120.473 119.914 -0.240 0.000 3.176 36 V HA 0.555 4.674 4.120 -0.000 0.000 0.332 36 V C 0.094 176.124 176.094 -0.107 0.000 1.414 36 V CA -0.451 61.775 62.300 -0.124 0.000 1.133 36 V CB -0.829 30.952 31.823 -0.070 0.000 1.088 36 V HN 0.635 nan 8.190 nan 0.000 0.473 37 R N 0.082 120.498 120.500 -0.139 0.000 2.803 37 R HA 0.547 4.887 4.340 -0.000 0.000 0.276 37 R C 0.401 176.650 176.300 -0.086 0.000 0.978 37 R CA -0.577 55.464 56.100 -0.098 0.000 0.939 37 R CB 2.092 32.334 30.300 -0.096 0.000 1.179 37 R HN 0.180 nan 8.270 nan 0.000 0.472 38 E N 0.968 121.135 120.200 -0.056 0.000 2.153 38 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 38 E C 0.578 177.153 176.600 -0.041 0.000 0.988 38 E CA 1.625 57.998 56.400 -0.044 0.000 0.811 38 E CB 0.106 29.789 29.700 -0.030 0.000 0.746 38 E HN 0.588 nan 8.360 nan 0.000 0.466 39 D N -0.788 119.587 120.400 -0.041 0.000 2.363 39 D HA -0.009 4.630 4.640 -0.000 0.000 0.220 39 D C 1.297 177.577 176.300 -0.033 0.000 0.994 39 D CA 0.814 54.797 54.000 -0.028 0.000 0.890 39 D CB -0.034 40.757 40.800 -0.016 0.000 0.906 39 D HN 0.200 nan 8.370 nan 0.000 0.530 40 G N 0.083 108.839 108.800 -0.073 0.000 2.159 40 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.256 40 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.256 40 G C 0.286 175.104 174.900 -0.136 0.000 0.977 40 G CA 0.119 45.159 45.100 -0.100 0.000 0.652 40 G HN 0.488 nan 8.290 nan 0.000 0.531 41 R N -1.111 119.321 120.500 -0.112 0.000 2.546 41 R HA 0.696 5.036 4.340 -0.000 0.000 0.266 41 R C -0.602 175.595 176.300 -0.172 0.000 1.086 41 R CA -0.341 55.755 56.100 -0.007 0.000 1.160 41 R CB 0.472 30.798 30.300 0.042 0.000 1.138 41 R HN 0.094 nan 8.270 nan 0.000 0.567 42 F N 0.444 120.416 119.950 0.037 0.000 2.493 42 F HA 0.286 4.813 4.527 0.000 0.000 0.329 42 F C 1.030 176.855 175.800 0.042 0.000 1.126 42 F CA -0.681 57.347 58.000 0.046 0.000 0.937 42 F CB 1.280 40.319 39.000 0.064 0.000 1.146 42 F HN 0.298 nan 8.300 nan 0.000 0.442 43 L N 1.172 122.503 121.223 0.180 0.000 2.072 43 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 43 L C 1.182 178.135 176.870 0.138 0.000 1.079 43 L CA 0.609 55.523 54.840 0.123 0.000 0.752 43 L CB -0.183 41.921 42.059 0.075 0.000 0.906 43 L HN 0.663 nan 8.230 nan 0.000 0.436 44 S N -1.356 114.451 115.700 0.177 0.000 2.548 44 S HA 0.088 4.558 4.470 -0.000 0.000 0.277 44 S C 1.106 175.801 174.600 0.159 0.000 1.315 44 S CA -0.462 57.833 58.200 0.157 0.000 1.050 44 S CB 1.619 64.921 63.200 0.170 0.000 0.918 44 S HN 0.119 nan 8.310 nan 0.000 0.497 45 S N 1.663 117.433 115.700 0.118 0.000 2.423 45 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 45 S C 1.233 175.874 174.600 0.068 0.000 1.014 45 S CA 0.893 59.141 58.200 0.080 0.000 0.965 45 S CB -0.743 62.494 63.200 0.062 0.000 0.785 45 S HN 0.806 nan 8.310 nan 0.000 0.495 46 Y N 2.593 122.907 120.300 0.024 0.000 2.181 46 Y HA -0.082 4.468 4.550 -0.000 0.000 0.288 46 Y C 2.432 178.312 175.900 -0.032 0.000 1.146 46 Y CA 1.302 59.413 58.100 0.018 0.000 1.164 46 Y CB -0.914 37.558 38.460 0.021 0.000 0.982 46 Y HN 0.245 nan 8.280 nan 0.000 0.515 47 G N -0.917 107.960 108.800 0.129 0.000 2.408 47 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 47 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 47 G C 1.703 176.239 174.900 -0.607 0.000 1.150 47 G CA 1.233 46.182 45.100 -0.251 0.000 0.776 47 G HN 0.351 nan 8.290 nan 0.000 0.542 48 V N 1.156 120.933 119.914 -0.227 0.000 2.295 48 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 48 V C 3.152 179.145 176.094 -0.170 0.000 1.049 48 V CA 1.939 64.147 62.300 -0.153 0.000 1.024 48 V CB -0.468 31.352 31.823 -0.004 0.000 0.648 48 V HN 0.415 nan 8.190 nan 0.000 0.447 49 V N -2.137 117.686 119.914 -0.152 0.000 2.871 49 V HA -0.129 3.991 4.120 -0.000 0.000 0.256 49 V C 2.292 178.281 176.094 -0.175 0.000 1.082 49 V CA 1.962 64.179 62.300 -0.140 0.000 1.105 49 V CB -1.024 30.727 31.823 -0.121 0.000 0.713 49 V HN 0.692 nan 8.190 nan 0.000 0.473 50 H N 1.352 120.216 119.070 -0.343 0.000 2.470 50 H HA 0.301 4.856 4.556 -0.000 0.000 0.289 50 H C 1.395 176.568 175.328 -0.258 0.000 1.033 50 H CA 0.860 56.725 56.048 -0.304 0.000 1.331 50 H CB 0.154 29.746 29.762 -0.284 0.000 1.414 50 H HN 0.613 nan 8.280 nan 0.000 0.545 54 R N 0.811 121.141 120.500 -0.284 0.000 2.105 54 R HA -0.026 4.314 4.340 -0.000 0.000 0.239 54 R C 1.440 177.656 176.300 -0.140 0.000 1.135 54 R CA 2.642 58.591 56.100 -0.251 0.000 0.967 54 R CB -0.560 29.585 30.300 -0.259 0.000 0.861 54 R HN 0.694 nan 8.270 nan 0.000 0.442 55 N N -1.499 117.140 118.700 -0.101 0.000 2.424 55 N HA -0.011 4.729 4.740 -0.000 0.000 0.178 55 N C -0.427 175.061 175.510 -0.036 0.000 1.060 55 N CA 0.429 53.446 53.050 -0.056 0.000 0.901 55 N CB 0.339 38.805 38.487 -0.035 0.000 0.979 55 N HN 0.028 nan 8.380 nan 0.000 0.451 56 T N 2.147 116.679 114.554 -0.036 0.000 2.793 56 T HA 0.025 4.375 4.350 -0.000 0.000 0.289 56 T C -0.170 174.533 174.700 0.004 0.000 0.956 56 T CA 0.517 62.616 62.100 -0.001 0.000 1.177 56 T CB 0.276 69.163 68.868 0.032 0.000 0.897 56 T HN 0.103 nan 8.240 nan 0.000 0.533 57 E N 4.732 124.942 120.200 0.016 0.000 2.134 57 E HA 0.251 4.601 4.350 -0.000 0.000 0.278 57 E C -2.424 174.201 176.600 0.042 0.000 0.959 57 E CA -2.201 54.215 56.400 0.026 0.000 0.783 57 E CB 1.046 30.759 29.700 0.022 0.000 1.095 57 E HN 0.338 nan 8.360 nan 0.000 0.399 58 P HA 0.006 nan 4.420 nan 0.000 0.267 58 P C 0.426 177.763 177.300 0.062 0.000 1.209 58 P CA 0.065 63.219 63.100 0.091 0.000 0.763 58 P CB 0.610 32.410 31.700 0.167 0.000 0.816 59 R N 2.847 123.355 120.500 0.013 0.000 2.127 59 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 59 R C 0.132 176.274 176.300 -0.263 0.000 1.134 59 R CA 1.569 57.584 56.100 -0.142 0.000 0.975 59 R CB -0.105 30.071 30.300 -0.207 0.000 0.865 59 R HN 0.522 nan 8.270 nan 0.000 0.447 60 Y N -0.338 120.094 120.300 0.220 0.000 2.722 60 Y HA 0.433 4.983 4.550 -0.000 0.000 0.314 60 Y C 0.060 176.326 175.900 0.610 0.000 1.008 60 Y CA -0.602 57.789 58.100 0.485 0.000 1.294 60 Y CB 0.642 39.355 38.460 0.423 0.000 1.231 60 Y HN 0.069 nan 8.280 nan 0.000 0.558 61 A N 0.400 123.422 122.820 0.337 0.000 2.407 61 A HA 0.262 4.582 4.320 -0.000 0.000 0.248 61 A C -0.565 176.956 177.584 -0.104 0.000 1.082 61 A CA -0.320 51.827 52.037 0.184 0.000 0.785 61 A CB 0.082 19.088 19.000 0.010 0.000 1.020 61 A HN 0.447 nan 8.150 nan 0.000 0.489 62 F N 1.648 121.478 119.950 -0.199 0.000 2.443 62 F HA 0.397 4.924 4.527 -0.000 0.000 0.353 62 F C 0.289 175.664 175.800 -0.709 0.000 1.101 62 F CA 0.299 57.955 58.000 -0.574 0.000 1.226 62 F CB 0.398 39.256 39.000 -0.236 0.000 1.140 62 F HN 0.645 nan 8.300 nan 0.000 0.557 63 H N 5.286 123.348 119.070 -1.681 0.000 2.459 63 H HA 0.390 4.946 4.556 -0.000 0.000 0.332 63 H C 0.761 175.042 175.328 -1.745 0.000 1.094 63 H CA -0.783 54.353 56.048 -1.520 0.000 1.224 63 H CB 1.364 30.120 29.762 -1.676 0.000 1.449 63 H HN 0.609 nan 8.280 nan 0.000 0.484 64 R N 1.119 121.165 120.500 -0.757 0.000 2.235 64 R HA -0.089 4.251 4.340 -0.000 0.000 0.213 64 R C 0.162 176.306 176.300 -0.259 0.000 1.059 64 R CA 1.134 57.018 56.100 -0.360 0.000 0.997 64 R CB 0.119 30.379 30.300 -0.067 0.000 0.884 64 R HN 0.708 nan 8.270 nan 0.000 0.462 65 D N -0.848 119.342 120.400 -0.350 0.000 2.491 65 D HA -0.019 4.621 4.640 -0.000 0.000 0.228 65 D C -0.303 175.929 176.300 -0.113 0.000 1.183 65 D CA -0.341 53.544 54.000 -0.191 0.000 0.827 65 D CB -0.319 40.377 40.800 -0.174 0.000 0.989 65 D HN -0.172 nan 8.370 nan 0.000 0.494 66 F N 2.094 121.967 119.950 -0.129 0.000 2.471 66 F HA 0.230 4.757 4.527 -0.000 0.000 0.353 66 F C 1.696 177.515 175.800 0.031 0.000 1.113 66 F CA -1.244 56.729 58.000 -0.046 0.000 1.262 66 F CB 0.920 39.920 39.000 0.000 0.000 1.146 66 F HN -0.071 nan 8.300 nan 0.000 0.578 67 S N 3.530 119.390 115.700 0.266 0.000 2.641 67 S HA 0.327 4.797 4.470 -0.000 0.000 0.261 67 S C -1.965 172.740 174.600 0.175 0.000 1.257 67 S CA -1.005 57.289 58.200 0.157 0.000 0.983 67 S CB 0.998 64.263 63.200 0.108 0.000 0.990 67 S HN 0.357 nan 8.310 nan 0.000 0.572 68 P HA -0.002 nan 4.420 nan 0.000 0.217 68 P C 1.347 178.734 177.300 0.145 0.000 1.150 68 P CA 1.125 64.293 63.100 0.113 0.000 0.832 68 P CB 0.058 31.790 31.700 0.054 0.000 0.787 69 K N 0.252 120.712 120.400 0.100 0.000 2.103 69 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 69 K C 1.852 178.485 176.600 0.055 0.000 1.052 69 K CA 1.220 57.553 56.287 0.076 0.000 0.945 69 K CB -0.131 32.400 32.500 0.052 0.000 0.722 69 K HN 0.064 nan 8.250 nan 0.000 0.443 70 E N -0.398 119.823 120.200 0.035 0.000 2.204 70 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 70 E C 1.646 178.044 176.600 -0.337 0.000 0.989 70 E CA 0.883 57.211 56.400 -0.120 0.000 0.824 70 E CB -0.098 29.583 29.700 -0.032 0.000 0.756 70 E HN 0.300 nan 8.360 nan 0.000 0.477 71 F N 1.606 121.435 119.950 -0.200 0.000 2.113 71 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 71 F C 2.230 178.095 175.800 0.109 0.000 1.103 71 F CA 1.355 59.353 58.000 -0.004 0.000 1.248 71 F CB 0.142 39.249 39.000 0.179 0.000 0.999 71 F HN -0.221 nan 8.300 nan 0.000 0.475 72 R N 0.257 120.889 120.500 0.220 0.000 2.096 72 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 72 R C 2.328 178.602 176.300 -0.043 0.000 1.127 72 R CA 1.569 57.719 56.100 0.084 0.000 0.968 72 R CB -0.389 29.971 30.300 0.101 0.000 0.861 72 R HN 0.289 nan 8.270 nan 0.000 0.440 73 K N 0.193 120.576 120.400 -0.028 0.000 2.001 73 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 73 K C 1.961 178.543 176.600 -0.030 0.000 1.048 73 K CA 1.585 57.857 56.287 -0.025 0.000 0.932 73 K CB -0.275 32.223 32.500 -0.003 0.000 0.715 73 K HN 0.192 nan 8.250 nan 0.000 0.437 74 W N 2.290 123.430 121.300 -0.266 0.000 2.338 74 W HA -0.241 4.420 4.660 0.000 0.000 0.304 74 W C 2.133 178.548 176.519 -0.174 0.000 1.212 74 W CA 2.015 59.241 57.345 -0.199 0.000 1.264 74 W CB -0.420 28.770 29.460 -0.451 0.000 1.142 74 W HN 0.269 nan 8.180 nan 0.000 0.512 75 Q N 0.760 120.163 119.800 -0.663 0.000 2.084 75 Q HA -0.297 4.043 4.340 -0.000 0.000 0.202 75 Q C 2.394 178.023 176.000 -0.618 0.000 0.978 75 Q CA 2.243 57.501 55.803 -0.909 0.000 0.844 75 Q CB -0.427 27.923 28.738 -0.647 0.000 0.898 75 Q HN 0.437 nan 8.270 nan 0.000 0.426 76 K N -0.825 119.329 120.400 -0.410 0.000 2.097 76 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 76 K C 1.886 178.165 176.600 -0.536 0.000 1.049 76 K CA 1.405 57.443 56.287 -0.416 0.000 0.933 76 K CB -0.344 32.023 32.500 -0.221 0.000 0.717 76 K HN 0.316 nan 8.250 nan 0.000 0.442 77 G N 1.367 109.989 108.800 -0.297 0.000 2.421 77 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 77 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 77 G C 1.437 175.937 174.900 -0.667 0.000 1.143 77 G CA 0.437 45.435 45.100 -0.171 0.000 0.784 77 G HN 0.310 nan 8.290 nan 0.000 0.541 78 L N 0.096 120.870 121.223 -0.749 0.000 2.017 78 L HA 0.018 4.357 4.340 -0.000 0.000 0.208 78 L C 2.888 179.431 176.870 -0.545 0.000 1.073 78 L CA 1.725 56.104 54.840 -0.768 0.000 0.745 78 L CB -0.235 41.335 42.059 -0.815 0.000 0.894 78 L HN 0.244 nan 8.230 nan 0.000 0.432 79 R N -1.299 118.873 120.500 -0.546 0.000 2.091 79 R HA -0.222 4.117 4.340 -0.000 0.000 0.238 79 R C 2.308 178.424 176.300 -0.307 0.000 1.136 79 R CA 1.745 57.588 56.100 -0.428 0.000 0.959 79 R CB -0.314 29.717 30.300 -0.447 0.000 0.856 79 R HN 0.518 nan 8.270 nan 0.000 0.437 80 H N 0.095 119.010 119.070 -0.259 0.000 2.387 80 H HA 0.068 4.624 4.556 -0.000 0.000 0.299 80 H C 1.054 176.267 175.328 -0.191 0.000 1.090 80 H CA 0.953 56.885 56.048 -0.194 0.000 1.332 80 H CB -0.629 29.041 29.762 -0.152 0.000 1.386 80 H HN 0.347 nan 8.280 nan 0.000 0.516 84 E N 1.567 121.749 120.200 -0.030 0.000 2.150 84 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 84 E C 1.644 178.255 176.600 0.017 0.000 0.985 84 E CA 0.907 57.300 56.400 -0.011 0.000 0.814 84 E CB -0.163 29.529 29.700 -0.014 0.000 0.752 84 E HN 0.504 nan 8.360 nan 0.000 0.466 88 F N 2.688 122.605 119.950 -0.055 0.000 2.506 88 F HA 0.210 4.738 4.527 0.001 0.000 0.371 88 F C -0.984 174.656 175.800 -0.267 0.000 1.078 88 F CA -2.106 55.822 58.000 -0.120 0.000 1.195 88 F CB -0.392 38.696 39.000 0.146 0.000 1.099 88 F HN 0.167 nan 8.300 nan 0.000 0.548 95 P HA 0.554 nan 4.420 nan 0.000 0.267 95 P C 0.208 177.679 177.300 0.285 0.000 1.200 95 P CA -0.178 62.998 63.100 0.126 0.000 0.772 95 P CB 0.294 31.957 31.700 -0.061 0.000 0.855 96 A N 4.012 126.983 122.820 0.251 0.000 2.407 96 A HA 0.433 4.753 4.320 -0.000 0.000 0.248 96 A C -1.976 175.860 177.584 0.420 0.000 1.082 96 A CA -0.991 51.228 52.037 0.302 0.000 0.785 96 A CB -1.036 18.111 19.000 0.246 0.000 1.020 96 A HN 0.441 nan 8.150 nan 0.000 0.489 97 P HA 0.311 nan 4.420 nan 0.000 0.270 97 P C -0.608 177.007 177.300 0.524 0.000 1.227 97 P CA -0.015 63.340 63.100 0.426 0.000 0.788 97 P CB 0.506 32.387 31.700 0.301 0.000 0.926 98 V N -1.920 118.219 119.914 0.374 0.000 2.925 98 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 98 V C -0.847 175.042 176.094 -0.342 0.000 1.104 98 V CA -1.013 61.347 62.300 0.099 0.000 0.954 98 V CB 1.603 33.486 31.823 0.100 0.000 1.022 98 V HN 0.719 nan 8.190 nan 0.000 0.427 99 C N 5.350 124.149 119.300 -0.835 0.000 2.325 99 C HA 0.634 5.094 4.460 -0.000 0.000 0.347 99 C C 1.508 176.177 174.990 -0.535 0.000 1.263 99 C CA -0.054 58.278 59.018 -1.144 0.000 1.806 99 C CB -0.913 26.007 27.740 -1.367 0.000 2.405 99 C HN 1.016 nan 8.230 nan 0.000 0.537 100 I N 1.942 122.257 120.570 -0.425 0.000 3.941 100 I HA 0.424 4.594 4.170 -0.000 0.000 0.321 100 I C 0.417 176.411 176.117 -0.205 0.000 1.284 100 I CA 0.278 61.430 61.300 -0.246 0.000 1.226 100 I CB -0.269 37.622 38.000 -0.180 0.000 1.045 100 I HN 0.488 nan 8.210 nan 0.000 0.420 101 K N 1.500 121.757 120.400 -0.238 0.000 2.542 101 K HA 0.592 4.912 4.320 -0.000 0.000 0.259 101 K C -1.157 175.353 176.600 -0.150 0.000 0.932 101 K CA -0.682 55.509 56.287 -0.161 0.000 0.820 101 K CB 2.807 35.236 32.500 -0.118 0.000 1.345 101 K HN 0.027 nan 8.250 nan 0.000 0.432 102 R N 2.348 122.787 120.500 -0.101 0.000 2.539 102 R HA 0.243 4.583 4.340 -0.000 0.000 0.295 102 R C -1.283 174.987 176.300 -0.051 0.000 1.138 102 R CA -0.504 55.558 56.100 -0.064 0.000 0.936 102 R CB 1.904 32.168 30.300 -0.060 0.000 1.182 102 R HN 0.603 nan 8.270 nan 0.000 0.459 103 E N 1.944 122.118 120.200 -0.042 0.000 2.272 103 E HA 0.150 4.500 4.350 -0.000 0.000 0.269 103 E C -1.087 175.461 176.600 -0.085 0.000 0.877 103 E CA -1.038 55.327 56.400 -0.058 0.000 0.755 103 E CB 2.723 32.388 29.700 -0.058 0.000 1.192 103 E HN 0.189 nan 8.360 nan 0.000 0.422 104 Q N 2.427 122.166 119.800 -0.102 0.000 2.354 104 Q HA 0.240 4.580 4.340 -0.000 0.000 0.244 104 Q C -0.680 175.178 176.000 -0.237 0.000 0.969 104 Q CA 0.261 55.974 55.803 -0.151 0.000 0.885 104 Q CB 0.731 29.404 28.738 -0.108 0.000 1.241 104 Q HN 0.387 nan 8.270 nan 0.000 0.461 105 R N 1.846 122.103 120.500 -0.404 0.000 2.846 105 R HA 0.312 4.651 4.340 -0.000 0.000 0.263 105 R C -0.788 175.270 176.300 -0.404 0.000 1.080 105 R CA -0.911 54.873 56.100 -0.527 0.000 0.961 105 R CB 0.894 30.489 30.300 -1.175 0.000 1.231 105 R HN 0.710 nan 8.270 nan 0.000 0.465 106 E N 0.938 120.991 120.200 -0.245 0.000 1.881 106 E HA 0.195 4.545 4.350 -0.000 0.000 0.264 106 E C 0.515 177.119 176.600 0.007 0.000 1.243 106 E CA 0.674 57.028 56.400 -0.078 0.000 0.965 106 E CB -0.035 29.663 29.700 -0.002 0.000 1.055 106 E HN 0.876 nan 8.360 nan 0.000 0.412 107 G N 2.820 111.615 108.800 -0.008 0.000 2.175 107 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.244 107 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.244 107 G C -0.322 174.676 174.900 0.164 0.000 0.982 107 G CA 0.441 45.589 45.100 0.080 0.000 0.641 107 G HN 0.588 nan 8.290 nan 0.000 0.527 108 Y N -1.125 119.180 120.300 0.008 0.000 2.670 108 Y HA 0.811 5.361 4.550 -0.001 0.000 0.334 108 Y C -0.548 175.363 175.900 0.019 0.000 1.185 108 Y CA -1.349 56.760 58.100 0.015 0.000 1.053 108 Y CB 0.556 39.032 38.460 0.027 0.000 1.298 108 Y HN 0.476 nan 8.280 nan 0.000 0.459 109 R N 1.935 122.497 120.500 0.103 0.000 2.637 109 R HA 0.743 5.083 4.340 -0.000 0.000 0.291 109 R C -2.070 174.342 176.300 0.187 0.000 0.963 109 R CA -0.979 55.123 56.100 0.004 0.000 0.901 109 R CB 2.111 32.423 30.300 0.020 0.000 1.160 109 R HN 0.771 nan 8.270 nan 0.000 0.457 110 L N 2.074 123.358 121.223 0.102 0.000 2.264 110 L HA 0.389 4.729 4.340 -0.000 0.000 0.289 110 L C -0.785 176.152 176.870 0.112 0.000 1.044 110 L CA 0.018 54.966 54.840 0.180 0.000 0.807 110 L CB 1.209 43.358 42.059 0.150 0.000 1.192 110 L HN 0.754 nan 8.230 nan 0.000 0.425 111 E N 4.475 124.774 120.200 0.165 0.000 2.183 111 E HA 0.347 4.697 4.350 -0.000 0.000 0.271 111 E C -1.116 175.544 176.600 0.099 0.000 0.919 111 E CA -0.801 55.678 56.400 0.133 0.000 0.781 111 E CB 2.082 31.980 29.700 0.330 0.000 1.140 111 E HN 0.386 nan 8.360 nan 0.000 0.402 112 K N 3.399 123.751 120.400 -0.081 0.000 2.394 112 K HA 0.292 4.612 4.320 -0.000 0.000 0.260 112 K C -1.514 174.877 176.600 -0.347 0.000 0.967 112 K CA -0.534 55.666 56.287 -0.146 0.000 0.855 112 K CB 0.786 33.205 32.500 -0.135 0.000 1.101 112 K HN 0.349 nan 8.250 nan 0.000 0.433 113 W N 1.867 122.773 121.300 -0.656 0.000 2.576 113 W HA 0.382 5.041 4.660 -0.001 0.000 0.360 113 W C -0.235 175.852 176.519 -0.720 0.000 1.109 113 W CA -0.473 56.383 57.345 -0.815 0.000 1.237 113 W CB 1.350 29.925 29.460 -1.475 0.000 1.369 113 W HN 0.472 nan 8.180 nan 0.000 0.609 114 E N 1.967 122.016 120.200 -0.252 0.000 2.246 114 E HA 0.401 4.751 4.350 -0.000 0.000 0.266 114 E C -1.468 174.922 176.600 -0.350 0.000 0.880 114 E CA -0.660 55.569 56.400 -0.284 0.000 0.762 114 E CB 1.135 30.696 29.700 -0.232 0.000 1.180 114 E HN 0.263 nan 8.360 nan 0.000 0.416 115 F N 1.642 121.225 119.950 -0.612 0.000 2.618 115 F HA 0.619 5.148 4.527 0.003 0.000 0.332 115 F C -1.403 173.865 175.800 -0.886 0.000 1.061 115 F CA -1.090 56.499 58.000 -0.686 0.000 0.974 115 F CB 0.822 39.707 39.000 -0.192 0.000 1.310 115 F HN 0.247 nan 8.300 nan 0.000 0.491 116 Y N 0.757 121.094 120.300 0.062 0.000 2.511 116 Y HA 0.360 4.910 4.550 -0.000 0.000 0.356 116 Y C -2.072 173.852 175.900 0.040 0.000 1.002 116 Y CA -2.114 55.966 58.100 -0.033 0.000 1.127 116 Y CB 0.028 38.504 38.460 0.026 0.000 1.137 116 Y HN 0.438 nan 8.280 nan 0.000 0.652 117 P HA -0.090 nan 4.420 nan 0.000 0.218 117 P C 0.032 177.475 177.300 0.237 0.000 1.149 117 P CA 1.348 64.534 63.100 0.143 0.000 0.817 117 P CB 1.283 33.016 31.700 0.055 0.000 0.785 118 L N -1.585 119.753 121.223 0.192 0.000 2.327 118 L HA 0.513 4.853 4.340 -0.000 0.000 0.258 118 L C -2.625 174.329 176.870 0.140 0.000 1.024 118 L CA -2.868 52.094 54.840 0.202 0.000 0.825 118 L CB 1.935 44.142 42.059 0.245 0.000 1.386 118 L HN -0.383 nan 8.230 nan 0.000 0.417 119 P HA 0.129 nan 4.420 nan 0.000 0.268 119 P C -0.632 176.710 177.300 0.070 0.000 1.205 119 P CA -0.022 63.123 63.100 0.075 0.000 0.771 119 P CB 0.373 32.104 31.700 0.052 0.000 0.858 120 K N -2.046 118.385 120.400 0.052 0.000 3.274 120 K HA -0.194 4.125 4.320 -0.000 0.000 0.300 120 K C -0.016 176.612 176.600 0.046 0.000 1.230 120 K CA 0.584 56.894 56.287 0.039 0.000 0.884 120 K CB -1.986 30.529 32.500 0.025 0.000 1.242 120 K HN 0.540 nan 8.250 nan 0.000 0.467 121 C N 0.125 119.464 119.300 0.065 0.000 2.561 121 C HA 0.799 5.259 4.460 -0.000 0.000 0.319 121 C C -0.615 174.385 174.990 0.016 0.000 1.198 121 C CA -0.415 58.630 59.018 0.046 0.000 1.665 121 C CB 1.967 29.756 27.740 0.082 0.000 2.258 121 C HN 0.225 nan 8.230 nan 0.000 0.493 122 V N 5.130 125.005 119.914 -0.066 0.000 2.655 122 V HA 0.708 4.828 4.120 -0.000 0.000 0.301 122 V C -0.424 175.473 176.094 -0.328 0.000 1.082 122 V CA 0.235 62.430 62.300 -0.174 0.000 0.899 122 V CB 1.894 33.709 31.823 -0.012 0.000 1.014 122 V HN 1.117 nan 8.190 nan 0.000 0.429 123 S N 4.383 119.676 115.700 -0.678 0.000 2.648 123 S HA 0.936 5.406 4.470 -0.000 0.000 0.305 123 S C -0.339 173.943 174.600 -0.529 0.000 1.094 123 S CA 0.237 58.054 58.200 -0.639 0.000 0.983 123 S CB 1.991 64.681 63.200 -0.850 0.000 1.101 123 S HN 1.432 nan 8.310 nan 0.000 0.514 124 T N 0.686 115.166 114.554 -0.123 0.000 2.903 124 T HA 0.790 5.140 4.350 -0.000 0.000 0.299 124 T C -0.938 173.884 174.700 0.203 0.000 1.093 124 T CA -0.767 61.331 62.100 -0.002 0.000 1.002 124 T CB 1.090 69.897 68.868 -0.102 0.000 1.127 124 T HN 0.712 nan 8.240 nan 0.000 0.488 125 F N 0.334 120.328 119.950 0.074 0.000 2.650 125 F HA 0.880 5.407 4.527 -0.001 0.000 0.320 125 F C -1.841 173.974 175.800 0.025 0.000 1.091 125 F CA -1.744 56.263 58.000 0.012 0.000 0.962 125 F CB 1.197 40.142 39.000 -0.091 0.000 1.363 125 F HN 0.579 nan 8.300 nan 0.000 0.482 126 L N 1.884 123.248 121.223 0.233 0.000 2.330 126 L HA 0.845 5.185 4.340 -0.000 0.000 0.271 126 L C -1.089 175.952 176.870 0.285 0.000 1.013 126 L CA -1.360 53.583 54.840 0.172 0.000 0.816 126 L CB 2.154 44.286 42.059 0.121 0.000 1.287 126 L HN 0.569 nan 8.230 nan 0.000 0.435 127 V N 3.233 123.319 119.914 0.287 0.000 2.525 127 V HA 0.365 4.485 4.120 -0.000 0.000 0.299 127 V C -0.780 175.476 176.094 0.270 0.000 1.034 127 V CA -0.467 62.024 62.300 0.319 0.000 0.863 127 V CB 1.956 34.047 31.823 0.448 0.000 0.999 127 V HN 0.362 nan 8.190 nan 0.000 0.423 128 L N 6.202 127.552 121.223 0.212 0.000 2.277 128 L HA 0.560 4.900 4.340 -0.000 0.000 0.284 128 L C -0.218 176.759 176.870 0.177 0.000 1.028 128 L CA 0.109 55.066 54.840 0.196 0.000 0.835 128 L CB 1.015 43.074 42.059 0.000 0.000 1.215 128 L HN 0.470 nan 8.230 nan 0.000 0.425 129 I N 5.404 126.109 120.570 0.226 0.000 2.339 129 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 129 I C -2.052 174.162 176.117 0.162 0.000 0.994 129 I CA -1.966 59.427 61.300 0.156 0.000 1.191 129 I CB 1.735 39.803 38.000 0.114 0.000 1.343 129 I HN 0.331 nan 8.210 nan 0.000 0.458 130 P HA 0.079 nan 4.420 nan 0.000 0.269 130 P C -0.885 176.454 177.300 0.066 0.000 1.215 130 P CA -0.225 62.940 63.100 0.109 0.000 0.780 130 P CB 0.543 32.275 31.700 0.053 0.000 0.898 131 D N 1.200 121.638 120.400 0.063 0.000 2.360 131 D HA 0.059 4.699 4.640 -0.000 0.000 0.242 131 D C 0.451 176.756 176.300 0.008 0.000 1.184 131 D CA 0.343 54.357 54.000 0.024 0.000 0.930 131 D CB -0.298 40.515 40.800 0.021 0.000 1.161 131 D HN 0.308 nan 8.370 nan 0.000 0.447 132 N N 0.047 118.745 118.700 -0.004 0.000 2.725 132 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 132 N C -0.511 175.003 175.510 0.008 0.000 1.031 132 N CA 0.411 53.462 53.050 0.002 0.000 0.720 132 N CB -1.410 37.082 38.487 0.007 0.000 0.930 132 N HN 0.447 nan 8.380 nan 0.000 0.543 133 I N 0.066 120.632 120.570 -0.007 0.000 2.648 133 I HA -0.032 4.138 4.170 -0.000 0.000 0.284 133 I C 1.628 177.791 176.117 0.076 0.000 1.153 133 I CA 0.192 61.508 61.300 0.028 0.000 1.426 133 I CB 0.731 38.734 38.000 0.006 0.000 1.381 133 I HN 0.212 nan 8.210 nan 0.000 0.571 134 N N 5.033 123.778 118.700 0.075 0.000 2.765 134 N HA 0.089 4.829 4.740 -0.000 0.000 0.230 134 N C 0.194 175.743 175.510 0.065 0.000 1.022 134 N CA 0.705 53.794 53.050 0.065 0.000 1.106 134 N CB 0.555 39.063 38.487 0.035 0.000 1.527 134 N HN 0.305 nan 8.380 nan 0.000 0.507 135 K N 1.241 121.666 120.400 0.043 0.000 2.090 135 K HA 0.424 4.744 4.320 -0.000 0.000 0.250 135 K C -2.321 174.299 176.600 0.033 0.000 1.004 135 K CA -1.758 54.541 56.287 0.019 0.000 0.919 135 K CB 0.036 32.537 32.500 0.002 0.000 1.045 135 K HN 0.185 nan 8.250 nan 0.000 0.471 136 P HA 0.035 nan 4.420 nan 0.000 0.271 136 P C -0.436 176.862 177.300 -0.002 0.000 1.220 136 P CA -0.365 62.732 63.100 -0.006 0.000 0.768 136 P CB 0.609 32.271 31.700 -0.063 0.000 0.848 137 V N 1.832 121.763 119.914 0.028 0.000 2.850 137 V HA 0.681 4.801 4.120 -0.000 0.000 0.315 137 V C -2.577 173.526 176.094 0.014 0.000 1.064 137 V CA -3.227 59.097 62.300 0.041 0.000 0.979 137 V CB 1.068 32.945 31.823 0.090 0.000 1.039 137 V HN 0.270 nan 8.190 nan 0.000 0.452 138 P HA 0.310 nan 4.420 nan 0.000 0.267 138 P C -0.695 176.565 177.300 -0.066 0.000 1.201 138 P CA 0.474 63.517 63.100 -0.095 0.000 0.775 138 P CB 0.413 31.991 31.700 -0.204 0.000 0.854 139 A N 3.060 125.799 122.820 -0.135 0.000 2.357 139 A HA 0.544 4.864 4.320 -0.000 0.000 0.295 139 A C -0.777 176.708 177.584 -0.165 0.000 1.121 139 A CA -0.627 51.347 52.037 -0.104 0.000 0.742 139 A CB 0.350 19.295 19.000 -0.092 0.000 1.181 139 A HN 0.597 nan 8.150 nan 0.000 0.454 140 I N 3.671 124.130 120.570 -0.185 0.000 2.307 140 I HA 0.420 4.590 4.170 -0.000 0.000 0.289 140 I C -0.886 175.138 176.117 -0.155 0.000 1.021 140 I CA -1.053 60.084 61.300 -0.272 0.000 1.224 140 I CB 0.779 38.401 38.000 -0.629 0.000 1.376 140 I HN 0.623 nan 8.210 nan 0.000 0.470 141 L N 9.240 130.388 121.223 -0.125 0.000 2.369 141 L HA 0.310 4.650 4.340 -0.000 0.000 0.279 141 L C -0.854 175.985 176.870 -0.051 0.000 1.108 141 L CA 0.223 55.014 54.840 -0.082 0.000 0.852 141 L CB 0.133 42.139 42.059 -0.089 0.000 1.169 141 L HN 0.660 nan 8.230 nan 0.000 0.452 142 C N 6.581 125.870 119.300 -0.018 0.000 2.273 142 C HA 0.563 5.023 4.460 -0.000 0.000 0.328 142 C C 0.269 175.271 174.990 0.020 0.000 1.275 142 C CA -1.015 58.008 59.018 0.008 0.000 1.704 142 C CB -0.373 27.388 27.740 0.035 0.000 2.326 142 C HN 0.657 nan 8.230 nan 0.000 0.517 143 I N 6.271 126.865 120.570 0.039 0.000 2.406 143 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 143 I C -2.151 174.031 176.117 0.108 0.000 0.999 143 I CA -1.747 59.589 61.300 0.061 0.000 1.124 143 I CB 2.035 40.066 38.000 0.051 0.000 1.289 143 I HN 0.378 nan 8.210 nan 0.000 0.441 144 P HA 0.279 nan 4.420 nan 0.000 0.280 144 P C -0.073 177.384 177.300 0.261 0.000 1.272 144 P CA -0.208 63.019 63.100 0.212 0.000 0.819 144 P CB 1.073 32.881 31.700 0.181 0.000 1.122 145 G N -0.300 108.753 108.800 0.421 0.000 2.563 145 G HA2 0.269 4.229 3.960 -0.000 0.000 0.283 145 G HA3 0.269 4.229 3.960 -0.000 0.000 0.283 145 G C -0.317 174.730 174.900 0.246 0.000 1.309 145 G CA -0.436 44.834 45.100 0.282 0.000 1.022 145 G HN 0.513 nan 8.290 nan 0.000 0.501 146 S N -1.122 114.677 115.700 0.165 0.000 2.533 146 S HA 0.415 4.885 4.470 -0.000 0.000 0.282 146 S C 1.522 176.327 174.600 0.341 0.000 1.304 146 S CA 1.160 59.464 58.200 0.172 0.000 1.063 146 S CB 0.025 63.267 63.200 0.071 0.000 0.881 146 S HN 2.140 nan 8.310 nan 0.000 0.493 147 G N 3.324 112.439 108.800 0.525 0.000 2.253 147 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.251 147 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.251 147 G C 0.509 175.695 174.900 0.478 0.000 0.998 147 G CA 0.112 45.512 45.100 0.500 0.000 0.621 147 G HN 1.246 nan 8.290 nan 0.000 0.524 148 G N 0.101 109.139 108.800 0.396 0.000 2.477 148 G HA2 0.662 4.621 3.960 -0.000 0.000 0.304 148 G HA3 0.662 4.621 3.960 -0.000 0.000 0.304 148 G C -0.217 174.837 174.900 0.256 0.000 1.175 148 G CA 0.320 45.604 45.100 0.306 0.000 0.907 148 G HN 1.259 nan 8.290 nan 0.000 0.509 149 N N -2.404 116.408 118.700 0.186 0.000 2.697 149 N HA 0.286 5.026 4.740 -0.000 0.000 0.272 149 N C 0.793 176.358 175.510 0.092 0.000 1.381 149 N CA -0.799 52.323 53.050 0.120 0.000 0.797 149 N CB 1.515 40.063 38.487 0.103 0.000 1.523 149 N HN 0.501 nan 8.380 nan 0.000 0.518 150 K N -0.825 119.616 120.400 0.069 0.000 2.211 150 K HA -0.015 4.304 4.320 -0.000 0.000 0.203 150 K C 0.480 177.111 176.600 0.051 0.000 1.050 150 K CA 1.307 57.634 56.287 0.066 0.000 0.945 150 K CB -0.092 32.453 32.500 0.074 0.000 0.732 150 K HN 0.463 nan 8.250 nan 0.000 0.451 151 E N 1.335 121.555 120.200 0.034 0.000 2.047 151 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 151 E C 2.222 178.829 176.600 0.013 0.000 0.987 151 E CA 1.446 57.846 56.400 -0.000 0.000 0.799 151 E CB -0.585 29.087 29.700 -0.048 0.000 0.752 151 E HN 0.537 nan 8.360 nan 0.000 0.449 152 G N 0.778 109.610 108.800 0.054 0.000 2.440 152 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.218 152 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.218 152 G C 1.502 176.443 174.900 0.068 0.000 1.154 152 G CA 0.773 45.935 45.100 0.103 0.000 0.767 152 G HN 0.166 nan 8.290 nan 0.000 0.552 153 L N 0.500 121.748 121.223 0.041 0.000 2.141 153 L HA 0.003 4.343 4.340 -0.000 0.000 0.209 153 L C 3.193 180.067 176.870 0.007 0.000 1.094 153 L CA 0.876 55.718 54.840 0.003 0.000 0.763 153 L CB -0.237 41.826 42.059 0.007 0.000 0.908 153 L HN 0.313 nan 8.230 nan 0.000 0.437 154 A N -0.424 122.416 122.820 0.033 0.000 2.169 154 A HA 0.246 4.566 4.320 -0.000 0.000 0.212 154 A C 1.705 179.322 177.584 0.055 0.000 1.153 154 A CA 0.735 52.797 52.037 0.040 0.000 0.756 154 A CB -0.407 18.631 19.000 0.064 0.000 0.813 154 A HN 0.499 nan 8.150 nan 0.000 0.471 155 G N -0.593 108.249 108.800 0.070 0.000 2.182 155 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.248 155 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.248 155 G C -0.296 174.676 174.900 0.121 0.000 1.042 155 G CA 0.365 45.546 45.100 0.134 0.000 0.775 155 G HN 0.476 nan 8.290 nan 0.000 0.501 156 E N 0.136 120.322 120.200 -0.024 0.000 2.263 156 E HA 0.510 4.860 4.350 -0.000 0.000 0.264 156 E C -2.403 173.822 176.600 -0.625 0.000 0.923 156 E CA -1.840 54.437 56.400 -0.205 0.000 0.802 156 E CB 2.400 32.041 29.700 -0.097 0.000 1.228 156 E HN 0.184 nan 8.360 nan 0.000 0.417 157 P HA 0.121 nan 4.420 nan 0.000 0.274 157 P C 0.189 177.258 177.300 -0.385 0.000 1.231 157 P CA -0.218 62.307 63.100 -0.958 0.000 0.790 157 P CB 0.656 32.009 31.700 -0.578 0.000 0.951 158 G N 0.888 109.549 108.800 -0.232 0.000 2.611 158 G HA2 0.146 4.106 3.960 -0.000 0.000 0.273 158 G HA3 0.146 4.106 3.960 -0.000 0.000 0.273 158 G C 1.204 176.059 174.900 -0.075 0.000 1.305 158 G CA -0.676 44.370 45.100 -0.090 0.000 1.010 158 G HN 0.445 nan 8.290 nan 0.000 0.509 159 I N 0.234 120.776 120.570 -0.046 0.000 2.546 159 I HA 0.082 4.252 4.170 -0.000 0.000 0.255 159 I C 1.509 177.594 176.117 -0.052 0.000 1.163 159 I CA 1.049 62.319 61.300 -0.050 0.000 1.457 159 I CB -0.224 37.749 38.000 -0.046 0.000 1.092 159 I HN 0.406 nan 8.210 nan 0.000 0.434 160 A N -0.126 122.667 122.820 -0.045 0.000 2.469 160 A HA 0.546 4.866 4.320 -0.000 0.000 0.299 160 A C -2.076 175.494 177.584 -0.023 0.000 1.098 160 A CA -1.209 50.797 52.037 -0.053 0.000 0.737 160 A CB 0.914 19.855 19.000 -0.097 0.000 1.312 160 A HN -0.191 nan 8.150 nan 0.000 0.414 161 P HA -0.169 nan 4.420 nan 0.000 0.216 161 P C 1.064 178.375 177.300 0.018 0.000 1.153 161 P CA 1.651 64.758 63.100 0.011 0.000 0.858 161 P CB 0.194 31.899 31.700 0.009 0.000 0.789 162 K N -0.812 119.586 120.400 -0.005 0.000 2.155 162 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 162 K C 1.137 177.738 176.600 0.001 0.000 1.052 162 K CA 0.742 57.025 56.287 -0.006 0.000 0.948 162 K CB -0.287 32.199 32.500 -0.023 0.000 0.728 162 K HN 0.205 nan 8.250 nan 0.000 0.448 163 L N 3.076 124.309 121.223 0.016 0.000 2.968 163 L HA 0.094 4.433 4.340 -0.000 0.000 0.235 163 L C -0.639 176.284 176.870 0.087 0.000 1.323 163 L CA -0.608 54.275 54.840 0.072 0.000 1.159 163 L CB -1.101 41.016 42.059 0.097 0.000 1.523 163 L HN 0.163 nan 8.230 nan 0.000 0.468 164 N N -1.874 116.881 118.700 0.091 0.000 2.421 164 N HA 0.230 4.970 4.740 -0.000 0.000 0.285 164 N C -0.453 175.167 175.510 0.183 0.000 1.027 164 N CA -0.680 52.455 53.050 0.141 0.000 0.918 164 N CB 1.339 39.949 38.487 0.204 0.000 1.152 164 N HN -0.015 nan 8.380 nan 0.000 0.485 165 D N 0.322 120.853 120.400 0.218 0.000 2.398 165 D HA 0.134 4.774 4.640 -0.000 0.000 0.264 165 D C -0.203 176.226 176.300 0.214 0.000 1.263 165 D CA -0.392 53.732 54.000 0.206 0.000 1.037 165 D CB 0.756 41.670 40.800 0.190 0.000 1.101 165 D HN 0.301 nan 8.370 nan 0.000 0.551 166 R N 0.599 121.181 120.500 0.137 0.000 4.496 166 R HA 0.142 4.482 4.340 -0.000 0.000 0.211 166 R C -0.482 175.849 176.300 0.052 0.000 1.738 166 R CA -0.320 55.811 56.100 0.051 0.000 1.528 166 R CB -2.054 28.260 30.300 0.024 0.000 1.414 166 R HN 0.317 nan 8.270 nan 0.000 0.812 167 Y N -1.485 118.821 120.300 0.010 0.000 2.357 167 Y HA 0.441 4.991 4.550 0.000 0.000 0.340 167 Y C 1.354 177.251 175.900 -0.005 0.000 1.260 167 Y CA -0.442 57.659 58.100 0.003 0.000 1.425 167 Y CB 0.500 38.969 38.460 0.015 0.000 1.326 167 Y HN 0.367 nan 8.280 nan 0.000 0.580 168 K N -0.114 120.296 120.400 0.018 0.000 3.604 168 K HA -0.250 4.070 4.320 -0.000 0.000 0.271 168 K C -0.126 176.426 176.600 -0.079 0.000 1.180 168 K CA 1.253 57.495 56.287 -0.076 0.000 1.017 168 K CB -2.697 29.657 32.500 -0.244 0.000 1.292 168 K HN 0.978 nan 8.250 nan 0.000 0.501 169 D N 0.817 121.171 120.400 -0.077 0.000 2.339 169 D HA 0.347 4.987 4.640 -0.000 0.000 0.241 169 D C -0.868 175.387 176.300 -0.074 0.000 1.183 169 D CA -1.753 52.196 54.000 -0.085 0.000 0.859 169 D CB 1.574 42.322 40.800 -0.086 0.000 1.067 169 D HN 0.303 nan 8.370 nan 0.000 0.484 170 P HA -0.117 nan 4.420 nan 0.000 0.225 170 P C 0.566 177.826 177.300 -0.066 0.000 1.148 170 P CA 0.771 63.830 63.100 -0.070 0.000 0.779 170 P CB 0.274 31.936 31.700 -0.064 0.000 0.780 171 K N -0.700 119.636 120.400 -0.108 0.000 2.504 171 K HA 0.075 4.395 4.320 -0.000 0.000 0.195 171 K C 1.644 178.222 176.600 -0.037 0.000 1.036 171 K CA 0.615 56.843 56.287 -0.098 0.000 0.984 171 K CB -0.057 32.208 32.500 -0.391 0.000 0.788 171 K HN 0.260 nan 8.250 nan 0.000 0.488 172 L N -0.585 120.582 121.223 -0.093 0.000 2.953 172 L HA 0.025 4.365 4.340 -0.000 0.000 0.258 172 L C 0.657 177.434 176.870 -0.154 0.000 1.100 172 L CA 0.001 54.740 54.840 -0.168 0.000 0.971 172 L CB 0.685 42.657 42.059 -0.144 0.000 1.474 172 L HN 0.029 nan 8.230 nan 0.000 0.540 173 T N -1.734 112.759 114.554 -0.101 0.000 3.859 173 T HA 0.070 4.420 4.350 -0.000 0.000 0.251 173 T C 0.897 175.490 174.700 -0.178 0.000 1.079 173 T CA -0.129 61.915 62.100 -0.094 0.000 1.151 173 T CB 0.333 69.174 68.868 -0.044 0.000 1.173 173 T HN 0.223 nan 8.240 nan 0.000 0.885 174 Q N 1.918 121.563 119.800 -0.257 0.000 1.985 174 Q HA -0.157 4.183 4.340 -0.000 0.000 0.207 174 Q C 2.705 178.609 176.000 -0.159 0.000 0.996 174 Q CA 1.721 57.307 55.803 -0.362 0.000 0.851 174 Q CB -0.582 27.918 28.738 -0.397 0.000 0.921 174 Q HN 0.892 nan 8.270 nan 0.000 0.418 175 A N 0.784 123.611 122.820 0.011 0.000 1.978 175 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 175 A C 2.044 179.618 177.584 -0.017 0.000 1.170 175 A CA 1.354 53.452 52.037 0.100 0.000 0.636 175 A CB -0.598 18.444 19.000 0.069 0.000 0.810 175 A HN 0.347 nan 8.150 nan 0.000 0.448 176 L N 0.336 121.499 121.223 -0.099 0.000 2.093 176 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 176 L C 1.750 178.512 176.870 -0.180 0.000 1.085 176 L CA 2.093 56.838 54.840 -0.158 0.000 0.755 176 L CB -0.846 41.159 42.059 -0.089 0.000 0.904 176 L HN 0.329 nan 8.230 nan 0.000 0.435 177 N N -0.595 117.957 118.700 -0.246 0.000 2.166 177 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 177 N C 1.693 177.035 175.510 -0.281 0.000 1.019 177 N CA 1.657 54.515 53.050 -0.320 0.000 0.856 177 N CB -0.436 37.760 38.487 -0.486 0.000 0.993 177 N HN 0.348 nan 8.380 nan 0.000 0.426 178 F N 0.193 120.169 119.950 0.043 0.000 2.234 178 F HA 0.077 4.603 4.527 -0.001 0.000 0.296 178 F C 2.368 178.188 175.800 0.033 0.000 1.089 178 F CA 0.064 58.148 58.000 0.140 0.000 1.343 178 F CB -1.008 38.117 39.000 0.209 0.000 1.040 178 F HN -0.162 nan 8.300 nan 0.000 0.498 179 V N 0.839 120.796 119.914 0.071 0.000 2.407 179 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 179 V C 2.078 178.106 176.094 -0.109 0.000 1.055 179 V CA 2.002 64.254 62.300 -0.079 0.000 1.049 179 V CB -0.372 31.226 31.823 -0.374 0.000 0.662 179 V HN 0.295 nan 8.190 nan 0.000 0.455 180 K N -0.316 120.012 120.400 -0.119 0.000 2.442 180 K HA -0.049 4.271 4.320 -0.000 0.000 0.198 180 K C 1.540 178.070 176.600 -0.118 0.000 1.042 180 K CA 0.970 57.202 56.287 -0.090 0.000 0.958 180 K CB -0.012 32.443 32.500 -0.075 0.000 0.766 180 K HN 0.460 nan 8.250 nan 0.000 0.474 181 E N -0.372 119.715 120.200 -0.189 0.000 2.465 181 E HA 0.051 4.401 4.350 -0.000 0.000 0.191 181 E C 0.932 177.156 176.600 -0.626 0.000 1.053 181 E CA 0.309 56.471 56.400 -0.397 0.000 0.869 181 E CB 0.827 30.249 29.700 -0.463 0.000 0.977 181 E HN 0.441 nan 8.360 nan 0.000 0.483 182 G N 0.899 109.491 108.800 -0.347 0.000 2.176 182 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 182 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 182 G C -0.037 174.783 174.900 -0.133 0.000 0.979 182 G CA 0.303 45.270 45.100 -0.221 0.000 0.641 182 G HN 0.179 nan 8.290 nan 0.000 0.530 183 Y N 0.510 120.841 120.300 0.053 0.000 2.408 183 Y HA 0.706 5.256 4.550 -0.000 0.000 0.324 183 Y C 1.233 177.158 175.900 0.041 0.000 1.302 183 Y CA -1.548 56.575 58.100 0.038 0.000 1.384 183 Y CB 0.518 39.005 38.460 0.045 0.000 1.367 183 Y HN 0.363 nan 8.280 nan 0.000 0.525 184 I N -0.035 120.659 120.570 0.207 0.000 2.377 184 I HA 0.878 5.048 4.170 -0.000 0.000 0.293 184 I C -0.746 175.444 176.117 0.122 0.000 0.987 184 I CA -1.114 60.268 61.300 0.137 0.000 1.185 184 I CB 1.669 39.735 38.000 0.110 0.000 1.341 184 I HN 0.554 nan 8.210 nan 0.000 0.455 185 A N 6.219 129.115 122.820 0.128 0.000 2.287 185 A HA 0.674 4.993 4.320 -0.000 0.000 0.317 185 A C -0.570 177.085 177.584 0.118 0.000 1.220 185 A CA -0.545 51.565 52.037 0.123 0.000 0.835 185 A CB 1.313 20.416 19.000 0.172 0.000 1.180 185 A HN 0.604 nan 8.150 nan 0.000 0.500 186 V N 2.971 122.935 119.914 0.084 0.000 2.294 186 V HA 0.530 4.650 4.120 -0.000 0.000 0.272 186 V C 0.601 176.731 176.094 0.059 0.000 1.027 186 V CA -0.225 62.131 62.300 0.093 0.000 0.823 186 V CB 0.865 32.703 31.823 0.026 0.000 1.030 186 V HN 1.049 nan 8.190 nan 0.000 0.457 187 A N 5.706 128.591 122.820 0.109 0.000 2.289 187 A HA 0.813 5.132 4.320 -0.000 0.000 0.298 187 A C -0.101 177.549 177.584 0.111 0.000 1.208 187 A CA -0.383 51.708 52.037 0.089 0.000 0.845 187 A CB 1.056 20.109 19.000 0.089 0.000 1.125 187 A HN 1.082 nan 8.150 nan 0.000 0.517 188 V N -0.196 119.761 119.914 0.072 0.000 3.103 188 V HA 0.676 4.796 4.120 -0.000 0.000 0.318 188 V C -0.571 175.574 176.094 0.085 0.000 1.114 188 V CA -1.072 61.281 62.300 0.087 0.000 1.020 188 V CB 1.761 33.597 31.823 0.021 0.000 1.085 188 V HN 0.737 nan 8.190 nan 0.000 0.446 189 D N 1.234 121.687 120.400 0.088 0.000 2.268 189 D HA 0.418 5.057 4.640 -0.000 0.000 0.249 189 D C -0.837 175.505 176.300 0.070 0.000 1.008 189 D CA -0.347 53.692 54.000 0.066 0.000 0.939 189 D CB 1.495 42.316 40.800 0.035 0.000 1.170 189 D HN 0.623 nan 8.370 nan 0.000 0.468 190 N N 0.995 119.755 118.700 0.099 0.000 2.473 190 N HA 0.317 5.057 4.740 -0.000 0.000 0.291 190 N C -2.493 173.116 175.510 0.166 0.000 1.083 190 N CA -1.306 51.840 53.050 0.161 0.000 0.951 190 N CB 0.992 39.643 38.487 0.274 0.000 1.164 190 N HN -0.028 nan 8.380 nan 0.000 0.480 191 P HA 0.033 nan 4.420 nan 0.000 0.264 191 P C 0.081 177.523 177.300 0.236 0.000 1.193 191 P CA 0.601 63.771 63.100 0.115 0.000 0.763 191 P CB 0.504 32.171 31.700 -0.055 0.000 0.810 192 A N 1.646 124.491 122.820 0.042 0.000 3.410 192 A HA -0.006 4.314 4.320 -0.000 0.000 0.253 192 A C 0.623 177.948 177.584 -0.432 0.000 1.178 192 A CA 0.865 52.841 52.037 -0.102 0.000 1.334 192 A CB -2.244 16.744 19.000 -0.021 0.000 1.097 192 A HN 0.753 nan 8.150 nan 0.000 0.921 193 A N -1.360 121.189 122.820 -0.453 0.000 2.356 193 A HA 0.921 5.240 4.320 -0.000 0.000 0.323 193 A C 1.681 178.926 177.584 -0.564 0.000 1.119 193 A CA 1.074 52.508 52.037 -1.003 0.000 0.790 193 A CB 0.538 19.235 19.000 -0.504 0.000 1.273 193 A HN 2.502 nan 8.150 nan 0.000 0.452 194 G N 0.643 109.108 108.800 -0.558 0.000 2.591 194 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.298 194 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.298 194 G C 1.005 175.859 174.900 -0.077 0.000 1.195 194 G CA 1.038 46.066 45.100 -0.120 0.000 0.989 194 G HN 1.158 nan 8.290 nan 0.000 0.551 195 E N 0.999 121.166 120.200 -0.055 0.000 2.268 195 E HA 0.208 4.558 4.350 -0.000 0.000 0.195 195 E C 2.491 179.054 176.600 -0.061 0.000 0.995 195 E CA 1.318 57.688 56.400 -0.049 0.000 0.836 195 E CB -0.355 29.318 29.700 -0.045 0.000 0.763 195 E HN 0.871 nan 8.360 nan 0.000 0.491 196 A N 0.784 123.555 122.820 -0.081 0.000 2.307 196 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 196 A C 0.995 178.520 177.584 -0.098 0.000 1.228 196 A CA 0.221 52.213 52.037 -0.076 0.000 0.857 196 A CB -0.202 18.765 19.000 -0.056 0.000 0.897 196 A HN 0.306 nan 8.150 nan 0.000 0.495 197 S N -0.764 114.865 115.700 -0.119 0.000 2.633 197 S HA 0.312 4.782 4.470 -0.000 0.000 0.257 197 S C 0.446 175.045 174.600 -0.002 0.000 1.265 197 S CA 0.263 58.414 58.200 -0.082 0.000 0.980 197 S CB 0.931 64.144 63.200 0.022 0.000 1.017 197 S HN 0.355 nan 8.310 nan 0.000 0.577 198 D N -0.883 119.546 120.400 0.048 0.000 3.168 198 D HA 0.284 4.924 4.640 -0.000 0.000 0.219 198 D C 0.962 177.333 176.300 0.119 0.000 1.310 198 D CA -0.128 53.910 54.000 0.063 0.000 1.348 198 D CB -0.339 40.492 40.800 0.052 0.000 0.925 198 D HN 0.459 nan 8.370 nan 0.000 0.185 199 L N 0.980 122.293 121.223 0.150 0.000 2.685 199 L HA 0.258 4.598 4.340 -0.000 0.000 0.233 199 L C 1.046 178.054 176.870 0.231 0.000 1.173 199 L CA 0.158 55.157 54.840 0.266 0.000 0.961 199 L CB 0.198 42.376 42.059 0.199 0.000 1.217 199 L HN 0.085 nan 8.230 nan 0.000 0.478 200 E N 0.568 120.846 120.200 0.129 0.000 2.274 200 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 200 E C 2.162 178.771 176.600 0.015 0.000 0.996 200 E CA 0.497 56.939 56.400 0.069 0.000 0.840 200 E CB -0.008 29.722 29.700 0.049 0.000 0.772 200 E HN 0.397 nan 8.360 nan 0.000 0.491 201 R N 0.097 120.562 120.500 -0.059 0.000 2.152 201 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 201 R C 1.059 177.214 176.300 -0.243 0.000 1.117 201 R CA 1.402 57.381 56.100 -0.202 0.000 0.981 201 R CB -0.490 29.594 30.300 -0.361 0.000 0.870 201 R HN 0.295 nan 8.270 nan 0.000 0.451 202 Y N 1.462 121.772 120.300 0.016 0.000 2.389 202 Y HA 0.039 4.589 4.550 -0.001 0.000 0.292 202 Y C 2.637 178.540 175.900 0.005 0.000 1.117 202 Y CA 1.249 59.355 58.100 0.011 0.000 1.195 202 Y CB 0.005 38.471 38.460 0.010 0.000 1.076 202 Y HN 0.279 nan 8.280 nan 0.000 0.548 203 T N -2.321 112.335 114.554 0.169 0.000 3.507 203 T HA 0.115 4.465 4.350 -0.000 0.000 0.197 203 T C 1.339 176.059 174.700 0.034 0.000 0.847 203 T CA 0.054 62.208 62.100 0.091 0.000 1.531 203 T CB -0.749 68.170 68.868 0.085 0.000 1.834 203 T HN 0.096 nan 8.240 nan 0.000 0.433 204 L N 1.973 123.203 121.223 0.011 0.000 2.645 204 L HA 0.335 4.674 4.340 -0.000 0.000 0.235 204 L C 2.035 178.849 176.870 -0.093 0.000 1.150 204 L CA 0.225 55.046 54.840 -0.032 0.000 0.911 204 L CB -1.322 40.717 42.059 -0.032 0.000 1.077 204 L HN 0.924 nan 8.230 nan 0.000 0.438 205 G N 1.197 109.942 108.800 -0.091 0.000 2.686 205 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.329 205 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.329 205 G C 0.950 175.639 174.900 -0.352 0.000 1.187 205 G CA 0.814 45.832 45.100 -0.138 0.000 0.965 205 G HN 0.507 nan 8.290 nan 0.000 0.549 206 S N 0.498 115.967 115.700 -0.386 0.000 2.597 206 S HA 0.275 4.744 4.470 -0.000 0.000 0.224 206 S C 0.780 174.987 174.600 -0.656 0.000 0.955 206 S CA 0.922 58.696 58.200 -0.709 0.000 0.933 206 S CB 0.266 63.328 63.200 -0.229 0.000 0.788 206 S HN 0.783 nan 8.310 nan 0.000 0.488 207 N N 1.947 120.399 118.700 -0.413 0.000 2.968 207 N HA 0.186 4.926 4.740 -0.000 0.000 0.271 207 N C -1.331 174.054 175.510 -0.208 0.000 1.174 207 N CA -0.537 52.401 53.050 -0.188 0.000 1.096 207 N CB -0.635 37.808 38.487 -0.074 0.000 1.403 207 N HN 0.290 nan 8.380 nan 0.000 0.522 208 Y N 0.057 120.306 120.300 -0.085 0.000 2.397 208 Y HA 0.092 4.642 4.550 -0.001 0.000 0.335 208 Y C 1.076 176.805 175.900 -0.285 0.000 1.213 208 Y CA -0.424 57.505 58.100 -0.285 0.000 1.391 208 Y CB 0.496 38.569 38.460 -0.645 0.000 1.293 208 Y HN 0.287 nan 8.280 nan 0.000 0.557 209 D N 1.751 122.124 120.400 -0.045 0.000 2.563 209 D HA 0.064 4.704 4.640 -0.000 0.000 0.222 209 D C 0.009 176.298 176.300 -0.019 0.000 1.145 209 D CA 0.008 54.007 54.000 -0.002 0.000 1.001 209 D CB -0.431 40.391 40.800 0.036 0.000 1.049 209 D HN 0.456 nan 8.370 nan 0.000 0.515 210 Y N 0.517 120.856 120.300 0.065 0.000 2.373 210 Y HA -0.069 4.481 4.550 0.001 0.000 0.293 210 Y C 1.850 177.719 175.900 -0.053 0.000 1.129 210 Y CA 0.605 58.690 58.100 -0.026 0.000 1.226 210 Y CB 0.123 38.454 38.460 -0.216 0.000 1.000 210 Y HN 0.261 nan 8.280 nan 0.000 0.549 211 D N -0.756 119.717 120.400 0.122 0.000 2.149 211 D HA -0.148 4.491 4.640 -0.000 0.000 0.201 211 D C 2.356 178.695 176.300 0.065 0.000 0.972 211 D CA 0.902 54.940 54.000 0.062 0.000 0.835 211 D CB -0.539 40.293 40.800 0.053 0.000 0.966 211 D HN 0.201 nan 8.370 nan 0.000 0.476 212 V N 0.278 120.240 119.914 0.081 0.000 2.427 212 V HA -0.167 3.952 4.120 -0.000 0.000 0.248 212 V C 2.209 178.410 176.094 0.179 0.000 1.051 212 V CA 1.116 63.470 62.300 0.091 0.000 1.048 212 V CB -0.036 31.848 31.823 0.103 0.000 0.666 212 V HN 0.012 nan 8.190 nan 0.000 0.456 213 V N -0.182 119.837 119.914 0.176 0.000 2.453 213 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 213 V C 2.608 178.798 176.094 0.161 0.000 1.048 213 V CA 2.197 64.601 62.300 0.173 0.000 1.049 213 V CB -0.467 31.420 31.823 0.107 0.000 0.672 213 V HN 0.612 nan 8.190 nan 0.000 0.457 214 S N 0.024 115.824 115.700 0.167 0.000 2.382 214 S HA -0.234 4.236 4.470 -0.000 0.000 0.228 214 S C 2.108 176.755 174.600 0.078 0.000 1.027 214 S CA 1.672 59.952 58.200 0.133 0.000 0.991 214 S CB -0.380 62.861 63.200 0.069 0.000 0.823 214 S HN 0.492 nan 8.310 nan 0.000 0.469 215 R N 0.807 121.336 120.500 0.049 0.000 2.096 215 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 215 R C 1.719 178.003 176.300 -0.027 0.000 1.127 215 R CA 1.552 57.638 56.100 -0.023 0.000 0.968 215 R CB -0.996 29.245 30.300 -0.097 0.000 0.861 215 R HN 0.461 nan 8.270 nan 0.000 0.440 216 Y N 0.179 120.478 120.300 -0.001 0.000 2.145 216 Y HA -0.112 4.438 4.550 0.001 0.000 0.286 216 Y C 2.089 178.000 175.900 0.017 0.000 1.145 216 Y CA 1.758 59.858 58.100 -0.000 0.000 1.148 216 Y CB -0.321 38.125 38.460 -0.024 0.000 0.981 216 Y HN -0.017 nan 8.280 nan 0.000 0.507 217 L N -0.795 120.529 121.223 0.168 0.000 2.079 217 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 217 L C 2.216 179.184 176.870 0.164 0.000 1.081 217 L CA 1.212 56.130 54.840 0.129 0.000 0.752 217 L CB -0.681 41.369 42.059 -0.015 0.000 0.896 217 L HN 0.265 nan 8.230 nan 0.000 0.433 218 L N -0.956 120.331 121.223 0.108 0.000 2.005 218 L HA -0.169 4.170 4.340 -0.000 0.000 0.207 218 L C 2.688 179.607 176.870 0.081 0.000 1.072 218 L CA 0.998 55.891 54.840 0.088 0.000 0.744 218 L CB -0.621 41.462 42.059 0.040 0.000 0.895 218 L HN 0.216 nan 8.230 nan 0.000 0.433 219 E N 0.406 120.640 120.200 0.058 0.000 2.233 219 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 219 E C 1.791 178.437 176.600 0.076 0.000 1.004 219 E CA 1.234 57.661 56.400 0.045 0.000 0.819 219 E CB -0.161 29.547 29.700 0.014 0.000 0.738 219 E HN 0.523 nan 8.360 nan 0.000 0.478 220 L N -0.346 120.949 121.223 0.120 0.000 2.791 220 L HA 0.231 4.571 4.340 -0.000 0.000 0.239 220 L C 1.146 178.095 176.870 0.132 0.000 1.203 220 L CA 0.185 55.099 54.840 0.124 0.000 1.002 220 L CB 0.021 42.175 42.059 0.157 0.000 1.295 220 L HN 0.134 nan 8.230 nan 0.000 0.504 221 G N -0.768 108.110 108.800 0.130 0.000 2.155 221 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 221 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 221 G C -0.125 174.911 174.900 0.227 0.000 0.983 221 G CA 0.258 45.436 45.100 0.129 0.000 0.676 221 G HN 0.377 nan 8.290 nan 0.000 0.528 222 W N 0.745 122.078 121.300 0.055 0.000 3.154 222 W HA 0.800 5.458 4.660 -0.003 0.000 0.454 222 W C 0.583 177.157 176.519 0.092 0.000 1.488 222 W CA -0.281 57.111 57.345 0.078 0.000 1.275 222 W CB 1.276 30.782 29.460 0.078 0.000 2.277 222 W HN 0.797 nan 8.180 nan 0.000 0.683 223 S N -1.024 114.736 115.700 0.100 0.000 2.615 223 S HA 0.205 4.675 4.470 -0.000 0.000 0.269 223 S C 0.009 174.526 174.600 -0.138 0.000 1.161 223 S CA -0.459 57.750 58.200 0.016 0.000 0.817 223 S CB 1.466 64.728 63.200 0.103 0.000 1.131 223 S HN 0.556 nan 8.310 nan 0.000 0.467 224 Y N 1.013 121.239 120.300 -0.124 0.000 2.128 224 Y HA -0.087 4.462 4.550 -0.001 0.000 0.284 224 Y C 1.991 177.842 175.900 -0.081 0.000 1.154 224 Y CA 2.330 60.363 58.100 -0.113 0.000 1.149 224 Y CB -0.231 38.177 38.460 -0.086 0.000 0.976 224 Y HN 0.649 nan 8.280 nan 0.000 0.505 225 L N 0.308 121.608 121.223 0.128 0.000 2.141 225 L HA 0.054 4.394 4.340 -0.000 0.000 0.209 225 L C 2.384 179.290 176.870 0.060 0.000 1.094 225 L CA 2.070 56.971 54.840 0.102 0.000 0.763 225 L CB -1.346 40.809 42.059 0.159 0.000 0.908 225 L HN 0.311 nan 8.230 nan 0.000 0.437 226 G N -1.468 107.345 108.800 0.023 0.000 2.421 226 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.216 226 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.216 226 G C 1.580 176.354 174.900 -0.211 0.000 1.171 226 G CA 1.061 46.228 45.100 0.113 0.000 0.775 226 G HN 0.507 nan 8.290 nan 0.000 0.543 227 Y N 1.892 121.594 120.300 -0.998 0.000 2.109 227 Y HA 0.056 4.606 4.550 -0.001 0.000 0.285 227 Y C 2.996 178.622 175.900 -0.457 0.000 1.131 227 Y CA 1.611 59.066 58.100 -1.075 0.000 1.121 227 Y CB -0.521 37.289 38.460 -1.083 0.000 0.987 227 Y HN 0.247 nan 8.280 nan 0.000 0.495 228 A N -0.628 121.975 122.820 -0.362 0.000 1.917 228 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 228 A C 2.392 179.884 177.584 -0.152 0.000 1.182 228 A CA 2.307 54.165 52.037 -0.299 0.000 0.633 228 A CB -1.207 17.616 19.000 -0.295 0.000 0.819 228 A HN 0.528 nan 8.150 nan 0.000 0.448 229 S N -2.004 113.687 115.700 -0.015 0.000 2.368 229 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 229 S C 1.831 176.483 174.600 0.086 0.000 1.029 229 S CA 1.262 59.553 58.200 0.152 0.000 0.988 229 S CB -0.530 62.909 63.200 0.398 0.000 0.838 229 S HN 0.699 nan 8.310 nan 0.000 0.462 230 Y N 2.042 122.119 120.300 -0.371 0.000 2.181 230 Y HA -0.117 4.433 4.550 -0.001 0.000 0.288 230 Y C 1.768 177.434 175.900 -0.391 0.000 1.146 230 Y CA 1.063 58.637 58.100 -0.877 0.000 1.164 230 Y CB -0.403 37.542 38.460 -0.858 0.000 0.982 230 Y HN 0.089 nan 8.280 nan 0.000 0.515 231 L N 0.312 121.336 121.223 -0.333 0.000 2.056 231 L HA -0.140 4.200 4.340 -0.000 0.000 0.207 231 L C 1.067 177.830 176.870 -0.178 0.000 1.078 231 L CA 1.356 56.064 54.840 -0.220 0.000 0.749 231 L CB -1.040 40.902 42.059 -0.195 0.000 0.901 231 L HN 0.130 nan 8.230 nan 0.000 0.433 235 V N 2.123 121.612 119.914 -0.708 0.000 2.295 235 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 235 V C 2.307 178.157 176.094 -0.406 0.000 1.049 235 V CA 2.110 63.898 62.300 -0.854 0.000 1.024 235 V CB -0.589 30.649 31.823 -0.975 0.000 0.648 235 V HN 0.202 nan 8.190 nan 0.000 0.447 236 L N 0.820 121.870 121.223 -0.289 0.000 2.191 236 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 236 L C 2.095 178.882 176.870 -0.137 0.000 1.103 236 L CA 1.782 56.518 54.840 -0.174 0.000 0.769 236 L CB -0.987 40.998 42.059 -0.123 0.000 0.908 236 L HN 0.317 nan 8.230 nan 0.000 0.438 237 N N -1.265 117.358 118.700 -0.128 0.000 2.171 237 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 237 N C 0.613 176.069 175.510 -0.090 0.000 1.021 237 N CA 0.788 53.782 53.050 -0.093 0.000 0.854 237 N CB -0.438 38.008 38.487 -0.070 0.000 0.994 237 N HN 0.517 nan 8.380 nan 0.000 0.426 241 T N -0.506 113.809 114.554 -0.397 0.000 3.144 241 T HA 0.148 4.498 4.350 -0.000 0.000 0.249 241 T C 0.349 174.802 174.700 -0.413 0.000 1.089 241 T CA -0.118 61.770 62.100 -0.353 0.000 0.989 241 T CB 0.158 68.834 68.868 -0.320 0.000 0.992 241 T HN -0.143 nan 8.240 nan 0.000 0.540 242 Q N 1.976 121.471 119.800 -0.509 0.000 2.303 242 Q HA 0.281 4.621 4.340 -0.000 0.000 0.257 242 Q C 1.090 176.932 176.000 -0.265 0.000 0.941 242 Q CA -0.321 55.232 55.803 -0.416 0.000 0.931 242 Q CB 2.085 30.488 28.738 -0.557 0.000 1.215 242 Q HN 0.670 nan 8.270 nan 0.000 0.437 243 K N 1.761 122.021 120.400 -0.233 0.000 2.147 243 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 243 K C 0.612 177.025 176.600 -0.311 0.000 1.049 243 K CA 1.549 57.665 56.287 -0.284 0.000 0.936 243 K CB -0.094 32.203 32.500 -0.338 0.000 0.722 243 K HN 0.504 nan 8.250 nan 0.000 0.446 244 H N 0.455 119.476 119.070 -0.082 0.000 2.529 244 H HA 0.224 4.780 4.556 -0.000 0.000 0.277 244 H C 0.187 175.471 175.328 -0.073 0.000 0.999 244 H CA 0.226 56.241 56.048 -0.054 0.000 1.256 244 H CB 0.102 29.855 29.762 -0.016 0.000 1.402 244 H HN 0.075 nan 8.280 nan 0.000 0.566 245 I N 2.080 122.623 120.570 -0.045 0.000 2.337 245 I HA 0.030 4.199 4.170 -0.000 0.000 0.291 245 I C 0.479 176.526 176.117 -0.116 0.000 1.046 245 I CA -0.322 60.922 61.300 -0.093 0.000 1.324 245 I CB 0.734 38.627 38.000 -0.180 0.000 1.409 245 I HN 0.134 nan 8.210 nan 0.000 0.494 246 R N 6.512 126.952 120.500 -0.100 0.000 2.345 246 R HA -0.004 4.336 4.340 -0.000 0.000 0.331 246 R C 1.222 177.433 176.300 -0.148 0.000 1.067 246 R CA 0.020 56.047 56.100 -0.122 0.000 0.962 246 R CB 0.349 30.575 30.300 -0.124 0.000 0.987 246 R HN 0.557 nan 8.270 nan 0.000 0.451 247 K N 2.508 122.822 120.400 -0.143 0.000 2.211 247 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 247 K C 0.446 176.968 176.600 -0.131 0.000 1.047 247 K CA 1.903 58.107 56.287 -0.138 0.000 0.935 247 K CB 0.245 32.669 32.500 -0.127 0.000 0.728 247 K HN 0.697 nan 8.250 nan 0.000 0.452 248 D N -0.762 119.547 120.400 -0.150 0.000 2.388 248 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 248 D C 0.084 176.211 176.300 -0.289 0.000 1.133 248 D CA -0.078 53.828 54.000 -0.158 0.000 0.831 248 D CB 0.406 41.123 40.800 -0.139 0.000 0.962 248 D HN -0.034 nan 8.370 nan 0.000 0.502 249 R N 0.697 121.022 120.500 -0.292 0.000 2.688 249 R HA 0.338 4.678 4.340 -0.000 0.000 0.396 249 R C -0.368 175.810 176.300 -0.205 0.000 1.081 249 R CA -0.394 55.461 56.100 -0.410 0.000 1.093 249 R CB 0.417 30.441 30.300 -0.460 0.000 1.338 249 R HN 0.217 nan 8.270 nan 0.000 0.613 250 I N 1.665 122.160 120.570 -0.126 0.000 2.301 250 I HA 0.174 4.344 4.170 -0.000 0.000 0.292 250 I C 0.079 176.113 176.117 -0.137 0.000 1.046 250 I CA -0.589 60.631 61.300 -0.134 0.000 1.282 250 I CB 1.485 39.407 38.000 -0.129 0.000 1.409 250 I HN -0.281 nan 8.210 nan 0.000 0.484 251 V N 8.001 127.814 119.914 -0.169 0.000 2.350 251 V HA 0.240 4.360 4.120 -0.000 0.000 0.276 251 V C 0.300 176.295 176.094 -0.166 0.000 1.028 251 V CA -0.629 61.557 62.300 -0.191 0.000 0.860 251 V CB 1.593 33.298 31.823 -0.196 0.000 0.990 251 V HN 0.354 nan 8.190 nan 0.000 0.453 252 V N 4.288 124.125 119.914 -0.128 0.000 2.607 252 V HA 0.523 4.643 4.120 -0.000 0.000 0.289 252 V C 0.415 176.559 176.094 0.084 0.000 1.053 252 V CA 0.120 62.419 62.300 -0.001 0.000 0.996 252 V CB 1.689 33.578 31.823 0.110 0.000 0.995 252 V HN 0.886 nan 8.190 nan 0.000 0.476 253 S N 2.544 118.288 115.700 0.074 0.000 2.547 253 S HA 0.844 5.314 4.470 -0.000 0.000 0.281 253 S C -0.384 174.310 174.600 0.158 0.000 1.118 253 S CA -0.005 58.291 58.200 0.159 0.000 0.947 253 S CB 1.641 64.927 63.200 0.144 0.000 1.053 253 S HN 1.199 nan 8.310 nan 0.000 0.482 254 G N 2.428 111.363 108.800 0.224 0.000 2.682 254 G HA2 0.640 4.599 3.960 -0.000 0.000 0.300 254 G HA3 0.640 4.599 3.960 -0.000 0.000 0.300 254 G C -1.949 173.147 174.900 0.327 0.000 1.391 254 G CA -0.603 44.603 45.100 0.178 0.000 0.990 254 G HN 0.632 nan 8.290 nan 0.000 0.501 255 F N 2.973 123.022 119.950 0.165 0.000 2.449 255 F HA 0.642 5.169 4.527 -0.001 0.000 0.342 255 F C 0.764 176.662 175.800 0.163 0.000 1.127 255 F CA 0.364 58.504 58.000 0.234 0.000 0.975 255 F CB 1.738 40.901 39.000 0.272 0.000 1.146 255 F HN 0.947 nan 8.300 nan 0.000 0.444 256 S N 3.788 119.201 115.700 -0.477 0.000 4.116 256 S HA -0.356 4.114 4.470 -0.000 0.000 0.623 256 S C 1.068 175.572 174.600 -0.160 0.000 1.933 256 S CA 1.386 59.367 58.200 -0.365 0.000 4.224 256 S CB -1.510 61.331 63.200 -0.598 0.000 0.208 256 S HN 1.322 nan 8.310 nan 0.000 0.527 257 L N 3.059 124.237 121.223 -0.076 0.000 2.263 257 L HA 0.126 4.465 4.340 -0.000 0.000 0.216 257 L C 2.218 179.073 176.870 -0.025 0.000 1.111 257 L CA 2.923 57.758 54.840 -0.009 0.000 0.773 257 L CB -1.282 40.763 42.059 -0.024 0.000 0.906 257 L HN 0.704 nan 8.230 nan 0.000 0.439 258 G N -1.934 106.858 108.800 -0.012 0.000 2.598 258 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 258 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 258 G C 1.420 176.278 174.900 -0.069 0.000 1.131 258 G CA 0.873 45.981 45.100 0.013 0.000 0.785 258 G HN 0.549 nan 8.290 nan 0.000 0.539 259 T N -1.741 112.693 114.554 -0.201 0.000 3.055 259 T HA 0.090 4.440 4.350 -0.000 0.000 0.265 259 T C 1.801 176.260 174.700 -0.402 0.000 1.111 259 T CA 1.084 62.931 62.100 -0.421 0.000 1.118 259 T CB 0.026 68.373 68.868 -0.869 0.000 0.909 259 T HN 0.433 nan 8.240 nan 0.000 0.501 260 E N 1.979 122.009 120.200 -0.284 0.000 2.015 260 E HA 0.047 4.397 4.350 -0.000 0.000 0.191 260 E C -1.296 175.233 176.600 -0.118 0.000 0.991 260 E CA 0.316 56.566 56.400 -0.251 0.000 0.802 260 E CB -0.957 28.669 29.700 -0.122 0.000 0.759 260 E HN 0.502 nan 8.360 nan 0.000 0.447 265 L N 2.147 123.400 121.223 0.049 0.000 2.043 265 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 265 L C 2.457 179.383 176.870 0.094 0.000 1.075 265 L CA 2.896 57.786 54.840 0.084 0.000 0.752 265 L CB -1.237 40.881 42.059 0.099 0.000 0.891 265 L HN 0.542 nan 8.230 nan 0.000 0.432 266 G N -2.360 106.495 108.800 0.091 0.000 2.422 266 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 266 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 266 G C 1.590 176.470 174.900 -0.033 0.000 1.146 266 G CA 1.228 46.395 45.100 0.111 0.000 0.769 266 G HN 0.383 nan 8.290 nan 0.000 0.547 267 T N 1.224 115.694 114.554 -0.139 0.000 2.770 267 T HA 0.039 4.389 4.350 -0.000 0.000 0.263 267 T C 2.352 176.962 174.700 -0.150 0.000 1.039 267 T CA 0.637 62.621 62.100 -0.193 0.000 1.142 267 T CB -0.153 68.554 68.868 -0.268 0.000 0.868 267 T HN 0.138 nan 8.240 nan 0.000 0.435 268 L N 0.338 121.496 121.223 -0.109 0.000 2.395 268 L HA 0.134 4.474 4.340 -0.000 0.000 0.218 268 L C 0.544 177.392 176.870 -0.036 0.000 1.130 268 L CA 0.586 55.370 54.840 -0.094 0.000 0.826 268 L CB -0.019 41.978 42.059 -0.103 0.000 0.941 268 L HN 0.159 nan 8.230 nan 0.000 0.451 269 D N -0.622 119.779 120.400 0.002 0.000 2.473 269 D HA 0.096 4.736 4.640 -0.000 0.000 0.253 269 D C 0.998 177.325 176.300 0.046 0.000 1.233 269 D CA -0.200 53.814 54.000 0.023 0.000 0.908 269 D CB 1.393 42.215 40.800 0.037 0.000 1.170 269 D HN -0.025 nan 8.370 nan 0.000 0.558 270 T N -0.414 114.150 114.554 0.017 0.000 3.160 270 T HA -0.021 4.329 4.350 -0.000 0.000 0.257 270 T C 1.451 176.167 174.700 0.026 0.000 1.147 270 T CA 0.424 62.541 62.100 0.029 0.000 1.064 270 T CB 0.043 68.908 68.868 -0.004 0.000 0.949 270 T HN 0.122 nan 8.240 nan 0.000 0.526 271 S N 1.141 116.847 115.700 0.011 0.000 2.428 271 S HA 0.230 4.699 4.470 -0.000 0.000 0.230 271 S C 0.897 175.486 174.600 -0.018 0.000 1.014 271 S CA -0.039 58.158 58.200 -0.005 0.000 0.957 271 S CB -0.475 62.712 63.200 -0.021 0.000 0.784 271 S HN 0.573 nan 8.310 nan 0.000 0.499 272 I N 2.028 122.577 120.570 -0.035 0.000 2.826 272 I HA -0.151 4.019 4.170 -0.000 0.000 0.295 272 I C 1.387 177.386 176.117 -0.197 0.000 1.213 272 I CA 0.243 61.457 61.300 -0.142 0.000 1.436 272 I CB 0.245 38.126 38.000 -0.200 0.000 1.348 272 I HN 0.180 nan 8.210 nan 0.000 0.570 273 Y N 7.191 127.303 120.300 -0.313 0.000 2.206 273 Y HA 0.219 4.768 4.550 -0.000 0.000 0.292 273 Y C 0.940 176.649 175.900 -0.318 0.000 1.123 273 Y CA 1.045 58.988 58.100 -0.262 0.000 1.142 273 Y CB 0.271 38.600 38.460 -0.218 0.000 1.006 273 Y HN 0.628 nan 8.280 nan 0.000 0.518 274 A N -1.417 121.060 122.820 -0.571 0.000 2.593 274 A HA 0.644 4.963 4.320 -0.000 0.000 0.290 274 A C -1.956 175.247 177.584 -0.635 0.000 1.126 274 A CA -0.574 51.147 52.037 -0.527 0.000 0.695 274 A CB 0.581 19.411 19.000 -0.283 0.000 1.290 274 A HN 0.093 nan 8.150 nan 0.000 0.414 275 F N -0.733 119.318 119.950 0.169 0.000 2.588 275 F HA 0.615 5.142 4.527 -0.001 0.000 0.310 275 F C -0.327 175.574 175.800 0.168 0.000 1.082 275 F CA -0.776 57.309 58.000 0.142 0.000 0.929 275 F CB 2.573 41.638 39.000 0.109 0.000 1.254 275 F HN 0.276 nan 8.300 nan 0.000 0.455 276 V N 2.409 122.529 119.914 0.344 0.000 2.349 276 V HA 0.203 4.322 4.120 -0.000 0.000 0.284 276 V C -1.405 174.835 176.094 0.243 0.000 1.014 276 V CA -0.783 61.663 62.300 0.243 0.000 0.826 276 V CB 1.235 33.268 31.823 0.349 0.000 1.009 276 V HN 0.646 nan 8.190 nan 0.000 0.431 277 Y N 4.505 124.815 120.300 0.017 0.000 2.880 277 Y HA 0.387 4.937 4.550 0.000 0.000 0.329 277 Y C 0.711 176.604 175.900 -0.012 0.000 1.156 277 Y CA -0.650 57.449 58.100 -0.003 0.000 1.348 277 Y CB 0.544 38.959 38.460 -0.076 0.000 1.280 277 Y HN 0.722 nan 8.280 nan 0.000 0.516 278 N N 3.729 122.503 118.700 0.124 0.000 3.034 278 N HA 0.164 4.904 4.740 -0.000 0.000 0.265 278 N C -1.601 173.997 175.510 0.148 0.000 1.166 278 N CA 0.029 53.151 53.050 0.120 0.000 1.081 278 N CB -0.017 38.553 38.487 0.139 0.000 1.378 278 N HN 0.561 nan 8.380 nan 0.000 0.520 279 D N 0.788 121.302 120.400 0.190 0.000 2.728 279 D HA 0.086 4.726 4.640 -0.000 0.000 0.249 279 D C -0.991 175.518 176.300 0.349 0.000 1.225 279 D CA -0.672 53.479 54.000 0.253 0.000 0.748 279 D CB 0.501 41.333 40.800 0.052 0.000 1.326 279 D HN 0.106 nan 8.370 nan 0.000 0.426 280 F N 1.256 121.346 119.950 0.234 0.000 2.506 280 F HA 0.455 4.982 4.527 -0.000 0.000 0.351 280 F C -0.238 175.732 175.800 0.283 0.000 1.136 280 F CA -0.963 57.168 58.000 0.219 0.000 1.298 280 F CB 0.158 39.303 39.000 0.241 0.000 1.145 280 F HN 0.164 nan 8.300 nan 0.000 0.593 281 L N 5.756 126.983 121.223 0.008 0.000 2.369 281 L HA 0.274 4.614 4.340 -0.000 0.000 0.279 281 L C -0.576 176.218 176.870 -0.127 0.000 1.108 281 L CA -0.117 54.668 54.840 -0.092 0.000 0.852 281 L CB 0.056 42.012 42.059 -0.172 0.000 1.169 281 L HN 0.967 nan 8.230 nan 0.000 0.452 282 C N 5.522 124.733 119.300 -0.150 0.000 2.355 282 C HA 0.414 4.874 4.460 -0.000 0.000 0.332 282 C C 0.085 175.037 174.990 -0.064 0.000 1.255 282 C CA -0.708 58.234 59.018 -0.126 0.000 1.792 282 C CB 1.031 28.590 27.740 -0.302 0.000 2.300 282 C HN 0.809 nan 8.230 nan 0.000 0.515 283 Q N 3.164 122.958 119.800 -0.009 0.000 2.571 283 Q HA 0.142 4.482 4.340 -0.000 0.000 0.222 283 Q C 1.360 177.286 176.000 -0.124 0.000 1.167 283 Q CA 0.277 56.047 55.803 -0.054 0.000 0.966 283 Q CB 1.186 29.923 28.738 -0.001 0.000 1.274 283 Q HN 1.044 nan 8.270 nan 0.000 0.552 284 T N -0.359 114.057 114.554 -0.229 0.000 2.881 284 T HA -0.217 4.133 4.350 -0.000 0.000 0.270 284 T C 1.372 175.856 174.700 -0.361 0.000 1.068 284 T CA 1.369 63.371 62.100 -0.164 0.000 1.131 284 T CB 0.144 68.983 68.868 -0.049 0.000 0.871 284 T HN 0.547 nan 8.240 nan 0.000 0.479 285 Q N 0.901 120.260 119.800 -0.736 0.000 2.046 285 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 285 Q C 2.468 178.051 176.000 -0.694 0.000 0.975 285 Q CA 1.563 56.555 55.803 -1.352 0.000 0.836 285 Q CB -0.163 27.839 28.738 -1.227 0.000 0.896 285 Q HN 0.763 nan 8.270 nan 0.000 0.428 286 E N 0.238 120.207 120.200 -0.384 0.000 2.110 286 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 286 E C 2.121 178.598 176.600 -0.205 0.000 0.988 286 E CA 0.825 57.099 56.400 -0.209 0.000 0.804 286 E CB -0.029 29.634 29.700 -0.061 0.000 0.745 286 E HN 0.212 nan 8.360 nan 0.000 0.458 287 R N 0.062 120.416 120.500 -0.244 0.000 2.091 287 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 287 R C 2.175 178.196 176.300 -0.465 0.000 1.136 287 R CA 1.377 57.233 56.100 -0.408 0.000 0.959 287 R CB -0.254 29.731 30.300 -0.525 0.000 0.856 287 R HN 0.184 nan 8.270 nan 0.000 0.437 288 A N 0.843 123.371 122.820 -0.487 0.000 1.898 288 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 288 A C 1.888 179.295 177.584 -0.295 0.000 1.181 288 A CA 1.527 53.228 52.037 -0.560 0.000 0.620 288 A CB -0.363 18.246 19.000 -0.652 0.000 0.819 288 A HN 0.505 nan 8.150 nan 0.000 0.442 289 E N -0.088 119.958 120.200 -0.256 0.000 2.072 289 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 289 E C 1.194 177.887 176.600 0.154 0.000 0.985 289 E CA 1.087 57.443 56.400 -0.072 0.000 0.801 289 E CB -0.433 29.124 29.700 -0.237 0.000 0.750 289 E HN 0.636 nan 8.360 nan 0.000 0.452 295 D N -0.165 120.309 120.400 0.122 0.000 2.440 295 D HA 0.153 4.793 4.640 -0.000 0.000 0.269 295 D C 1.099 177.532 176.300 0.222 0.000 1.249 295 D CA -0.479 53.592 54.000 0.119 0.000 1.055 295 D CB 0.724 41.575 40.800 0.084 0.000 1.104 295 D HN 0.505 nan 8.370 nan 0.000 0.561 296 K N -1.074 119.431 120.400 0.176 0.000 2.173 296 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 296 K C 0.517 177.320 176.600 0.339 0.000 1.046 296 K CA 1.324 57.756 56.287 0.241 0.000 0.929 296 K CB -0.115 32.465 32.500 0.134 0.000 0.720 296 K HN 0.285 nan 8.250 nan 0.000 0.453 297 N N -0.678 118.135 118.700 0.189 0.000 2.251 297 N HA 0.089 4.829 4.740 -0.000 0.000 0.217 297 N C 0.409 175.886 175.510 -0.054 0.000 1.124 297 N CA 0.812 53.894 53.050 0.053 0.000 0.843 297 N CB 1.169 39.667 38.487 0.018 0.000 1.024 297 N HN 0.431 nan 8.380 nan 0.000 0.501 298 G N 0.789 109.619 108.800 0.049 0.000 2.184 298 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.264 298 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.264 298 G C 0.236 175.105 174.900 -0.052 0.000 0.975 298 G CA -0.076 44.977 45.100 -0.078 0.000 0.642 298 G HN 0.199 nan 8.290 nan 0.000 0.536 299 R N 0.434 120.928 120.500 -0.011 0.000 2.491 299 R HA 0.346 4.686 4.340 -0.000 0.000 0.283 299 R C 0.519 176.811 176.300 -0.014 0.000 1.072 299 R CA -0.138 55.952 56.100 -0.017 0.000 1.048 299 R CB 0.369 30.678 30.300 0.016 0.000 0.983 299 R HN 0.415 nan 8.270 nan 0.000 0.450 300 R N 3.735 124.203 120.500 -0.054 0.000 2.423 300 R HA 0.257 4.597 4.340 -0.000 0.000 0.293 300 R C -1.905 174.435 176.300 0.067 0.000 1.196 300 R CA -1.631 54.437 56.100 -0.052 0.000 1.262 300 R CB 0.716 30.865 30.300 -0.251 0.000 1.116 300 R HN 0.376 nan 8.270 nan 0.000 0.566 301 P HA -0.086 nan 4.420 nan 0.000 0.265 301 P C -0.518 176.870 177.300 0.146 0.000 1.193 301 P CA -0.020 63.152 63.100 0.120 0.000 0.765 301 P CB 0.486 32.237 31.700 0.084 0.000 0.823 302 F N 4.908 124.907 119.950 0.083 0.000 2.443 302 F HA 0.180 4.707 4.527 0.000 0.000 0.353 302 F C -0.977 174.848 175.800 0.042 0.000 1.101 302 F CA -1.736 56.314 58.000 0.083 0.000 1.226 302 F CB 0.334 39.393 39.000 0.098 0.000 1.140 302 F HN 0.324 nan 8.300 nan 0.000 0.557 303 P HA -0.192 nan 4.420 nan 0.000 0.218 303 P C -1.182 176.149 177.300 0.052 0.000 1.150 303 P CA 1.713 64.720 63.100 -0.155 0.000 0.841 303 P CB -0.068 31.436 31.700 -0.327 0.000 0.784 304 N N -4.113 114.724 118.700 0.228 0.000 3.020 304 N HA 0.238 4.978 4.740 -0.000 0.000 0.248 304 N C -0.805 174.884 175.510 0.297 0.000 1.480 304 N CA -0.830 52.348 53.050 0.213 0.000 0.874 304 N CB 0.253 38.759 38.487 0.032 0.000 1.433 304 N HN -0.171 nan 8.380 nan 0.000 0.530 305 S N -0.738 115.117 115.700 0.259 0.000 2.626 305 S HA 0.224 4.694 4.470 -0.000 0.000 0.257 305 S C 1.537 176.199 174.600 0.104 0.000 1.288 305 S CA -0.400 57.895 58.200 0.157 0.000 0.980 305 S CB -0.181 63.082 63.200 0.106 0.000 0.975 305 S HN 0.791 nan 8.310 nan 0.000 0.577 306 I N -1.999 118.576 120.570 0.008 0.000 3.083 306 I HA -0.008 4.162 4.170 -0.000 0.000 0.273 306 I C 2.338 178.406 176.117 -0.081 0.000 1.297 306 I CA 0.895 62.169 61.300 -0.042 0.000 1.452 306 I CB -0.403 37.569 38.000 -0.047 0.000 1.078 306 I HN 0.740 nan 8.210 nan 0.000 0.484 307 R N 1.211 121.603 120.500 -0.181 0.000 2.127 307 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 307 R C 1.622 177.660 176.300 -0.437 0.000 1.134 307 R CA 1.613 57.434 56.100 -0.465 0.000 0.975 307 R CB -0.381 29.451 30.300 -0.779 0.000 0.865 307 R HN 0.570 nan 8.270 nan 0.000 0.447 308 H N -0.314 118.699 119.070 -0.096 0.000 2.526 308 H HA 0.050 4.606 4.556 0.001 0.000 0.274 308 H C -0.242 175.024 175.328 -0.103 0.000 0.999 308 H CA -0.189 55.825 56.048 -0.057 0.000 1.157 308 H CB 0.237 29.998 29.762 -0.003 0.000 1.407 308 H HN 0.080 nan 8.280 nan 0.000 0.568 309 L N 1.903 123.108 121.223 -0.030 0.000 2.281 309 L HA 0.294 4.634 4.340 -0.000 0.000 0.285 309 L C -0.763 176.073 176.870 -0.056 0.000 1.074 309 L CA -0.446 54.333 54.840 -0.101 0.000 0.817 309 L CB 0.191 42.188 42.059 -0.105 0.000 1.168 309 L HN -0.084 nan 8.230 nan 0.000 0.434 310 I N 7.476 127.994 120.570 -0.087 0.000 2.468 310 I HA 0.423 4.592 4.170 -0.000 0.000 0.284 310 I C -2.165 173.967 176.117 0.025 0.000 1.038 310 I CA -1.606 59.724 61.300 0.050 0.000 1.083 310 I CB 1.494 39.620 38.000 0.211 0.000 1.223 310 I HN 0.521 nan 8.210 nan 0.000 0.443 311 P HA 0.202 nan 4.420 nan 0.000 0.268 311 P C -0.387 176.938 177.300 0.041 0.000 1.204 311 P CA 0.236 63.346 63.100 0.016 0.000 0.768 311 P CB 0.403 32.122 31.700 0.031 0.000 0.842 312 D N 0.187 120.599 120.400 0.021 0.000 3.041 312 D HA -0.227 4.412 4.640 -0.000 0.000 0.220 312 D C 0.501 176.800 176.300 -0.002 0.000 1.157 312 D CA 0.614 54.627 54.000 0.020 0.000 0.876 312 D CB -1.694 39.109 40.800 0.005 0.000 1.107 312 D HN 0.356 nan 8.370 nan 0.000 0.422 313 F N -0.012 119.854 119.950 -0.139 0.000 2.084 313 F HA -0.106 4.420 4.527 -0.001 0.000 0.296 313 F C 1.945 177.698 175.800 -0.077 0.000 1.111 313 F CA 1.492 59.412 58.000 -0.133 0.000 1.224 313 F CB -0.112 38.781 39.000 -0.179 0.000 0.991 313 F HN 0.050 nan 8.300 nan 0.000 0.471 314 W N 1.242 122.713 121.300 0.285 0.000 2.611 314 W HA -0.021 4.640 4.660 0.001 0.000 0.251 314 W C 1.893 178.424 176.519 0.020 0.000 1.265 314 W CA 0.503 57.950 57.345 0.169 0.000 1.295 314 W CB -1.087 28.465 29.460 0.154 0.000 1.129 314 W HN 0.147 nan 8.180 nan 0.000 0.630 315 K N -0.100 120.386 120.400 0.144 0.000 2.365 315 K HA -0.069 4.251 4.320 -0.000 0.000 0.199 315 K C 1.354 177.926 176.600 -0.045 0.000 1.045 315 K CA 0.735 57.050 56.287 0.048 0.000 0.962 315 K CB 0.130 32.641 32.500 0.019 0.000 0.759 315 K HN 0.167 nan 8.250 nan 0.000 0.469 316 N N -0.320 118.232 118.700 -0.246 0.000 2.571 316 N HA 0.086 4.826 4.740 -0.000 0.000 0.195 316 N C 0.161 175.470 175.510 -0.334 0.000 1.040 316 N CA 0.702 53.463 53.050 -0.481 0.000 0.890 316 N CB 0.634 38.345 38.487 -1.294 0.000 1.233 316 N HN -0.002 nan 8.380 nan 0.000 0.435 317 F N -1.123 118.900 119.950 0.122 0.000 2.926 317 F HA 0.501 5.028 4.527 -0.001 0.000 0.321 317 F C -1.155 174.883 175.800 0.397 0.000 1.168 317 F CA -1.359 56.760 58.000 0.199 0.000 0.890 317 F CB 0.547 39.618 39.000 0.118 0.000 1.357 317 F HN -0.321 nan 8.300 nan 0.000 0.468 318 N N -0.351 118.758 118.700 0.682 0.000 2.577 318 N HA 0.419 5.159 4.740 -0.000 0.000 0.285 318 N C 0.098 175.932 175.510 0.540 0.000 1.309 318 N CA -0.603 52.785 53.050 0.564 0.000 0.798 318 N CB 1.468 40.112 38.487 0.261 0.000 1.463 318 N HN 0.439 nan 8.380 nan 0.000 0.518 319 F N 0.991 121.144 119.950 0.337 0.000 2.269 319 F HA 0.050 4.577 4.527 -0.001 0.000 0.301 319 F C -0.632 175.219 175.800 0.085 0.000 1.082 319 F CA 0.371 58.491 58.000 0.200 0.000 1.360 319 F CB -2.015 37.093 39.000 0.180 0.000 1.041 319 F HN 0.442 nan 8.300 nan 0.000 0.512 320 P HA -0.073 nan 4.420 nan 0.000 0.219 320 P C 1.161 178.542 177.300 0.134 0.000 1.150 320 P CA 1.371 64.535 63.100 0.106 0.000 0.814 320 P CB 0.041 31.786 31.700 0.075 0.000 0.787 321 D N -0.436 120.112 120.400 0.248 0.000 2.117 321 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 321 D C 2.022 178.488 176.300 0.277 0.000 0.982 321 D CA 1.108 55.343 54.000 0.392 0.000 0.828 321 D CB -0.463 40.635 40.800 0.495 0.000 0.967 321 D HN 0.225 nan 8.370 nan 0.000 0.464 322 I N 0.660 121.281 120.570 0.085 0.000 2.233 322 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 322 I C 2.509 178.565 176.117 -0.100 0.000 1.093 322 I CA 0.471 61.690 61.300 -0.134 0.000 1.380 322 I CB -0.120 37.763 38.000 -0.195 0.000 1.067 322 I HN -0.152 nan 8.210 nan 0.000 0.413 323 V N 1.227 121.121 119.914 -0.033 0.000 2.343 323 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 323 V C 2.737 178.842 176.094 0.018 0.000 1.051 323 V CA 1.978 64.232 62.300 -0.076 0.000 1.036 323 V CB -0.967 30.753 31.823 -0.173 0.000 0.654 323 V HN 0.484 nan 8.190 nan 0.000 0.451 324 A N 0.020 122.875 122.820 0.058 0.000 1.972 324 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 324 A C 2.347 180.077 177.584 0.244 0.000 1.169 324 A CA 1.836 53.953 52.037 0.134 0.000 0.635 324 A CB -0.645 18.295 19.000 -0.099 0.000 0.810 324 A HN 0.586 nan 8.150 nan 0.000 0.446 325 A N -0.514 122.367 122.820 0.101 0.000 2.121 325 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 325 A C 1.897 179.406 177.584 -0.126 0.000 1.154 325 A CA 1.029 52.962 52.037 -0.174 0.000 0.679 325 A CB -0.487 18.195 19.000 -0.529 0.000 0.795 325 A HN 0.483 nan 8.150 nan 0.000 0.458 326 L N -0.624 120.558 121.223 -0.069 0.000 2.478 326 L HA 0.078 4.418 4.340 -0.000 0.000 0.223 326 L C 1.569 178.442 176.870 0.006 0.000 1.140 326 L CA -0.033 54.778 54.840 -0.049 0.000 0.842 326 L CB -0.616 41.334 42.059 -0.181 0.000 0.953 326 L HN 0.411 nan 8.230 nan 0.000 0.452 327 A N 1.306 124.016 122.820 -0.184 0.000 2.466 327 A HA 0.162 4.482 4.320 -0.000 0.000 0.238 327 A C -1.538 175.911 177.584 -0.225 0.000 1.074 327 A CA -0.703 50.879 52.037 -0.760 0.000 0.774 327 A CB -0.318 17.967 19.000 -1.192 0.000 1.015 327 A HN 0.018 nan 8.150 nan 0.000 0.498 328 P HA 0.085 nan 4.420 nan 0.000 0.253 328 P C -0.233 177.039 177.300 -0.046 0.000 1.459 328 P CA 0.058 62.988 63.100 -0.285 0.000 0.908 328 P CB -0.010 31.615 31.700 -0.125 0.000 1.470 329 R N 1.478 122.002 120.500 0.041 0.000 2.347 329 R HA 0.298 4.638 4.340 -0.000 0.000 0.304 329 R C -2.259 174.223 176.300 0.304 0.000 1.072 329 R CA -2.000 54.176 56.100 0.125 0.000 0.980 329 R CB -0.342 30.059 30.300 0.168 0.000 0.986 329 R HN 0.074 nan 8.270 nan 0.000 0.448 330 P HA -0.042 nan 4.420 nan 0.000 0.262 330 P C -0.614 176.938 177.300 0.420 0.000 1.182 330 P CA 0.673 63.919 63.100 0.242 0.000 0.761 330 P CB 0.457 32.158 31.700 0.003 0.000 0.795 331 I N 3.245 124.031 120.570 0.359 0.000 3.006 331 I HA 0.581 4.751 4.170 -0.000 0.000 0.306 331 I C -1.594 174.314 176.117 -0.348 0.000 1.250 331 I CA -1.349 60.043 61.300 0.152 0.000 0.996 331 I CB 2.110 40.203 38.000 0.155 0.000 1.261 331 I HN 0.177 nan 8.210 nan 0.000 0.442 332 I N 6.160 126.353 120.570 -0.628 0.000 2.499 332 I HA 0.415 4.585 4.170 -0.000 0.000 0.288 332 I C -1.822 174.065 176.117 -0.382 0.000 1.048 332 I CA -0.707 60.118 61.300 -0.791 0.000 1.062 332 I CB 1.671 38.794 38.000 -1.463 0.000 1.238 332 I HN 0.414 nan 8.210 nan 0.000 0.426 333 L N 6.931 127.961 121.223 -0.320 0.000 2.301 333 L HA 0.366 4.706 4.340 -0.000 0.000 0.278 333 L C 1.270 178.045 176.870 -0.159 0.000 1.022 333 L CA -0.209 54.513 54.840 -0.197 0.000 0.854 333 L CB 1.243 43.132 42.059 -0.284 0.000 1.226 333 L HN 0.690 nan 8.230 nan 0.000 0.429 334 T N -2.313 112.166 114.554 -0.124 0.000 3.113 334 T HA 0.093 4.443 4.350 -0.000 0.000 0.256 334 T C 0.791 175.356 174.700 -0.226 0.000 1.131 334 T CA 0.537 62.546 62.100 -0.151 0.000 1.074 334 T CB -0.022 68.693 68.868 -0.255 0.000 0.944 334 T HN 0.557 nan 8.240 nan 0.000 0.516 335 E N 0.662 120.742 120.200 -0.200 0.000 2.887 335 E HA 0.427 4.777 4.350 -0.000 0.000 0.206 335 E C 1.200 177.767 176.600 -0.055 0.000 0.983 335 E CA -0.304 55.872 56.400 -0.372 0.000 1.141 335 E CB 0.617 30.107 29.700 -0.349 0.000 1.061 335 E HN 0.563 nan 8.360 nan 0.000 0.468 336 G N 1.183 109.931 108.800 -0.087 0.000 2.596 336 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.295 336 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.295 336 G C 0.526 175.500 174.900 0.125 0.000 1.240 336 G CA -0.135 44.898 45.100 -0.111 0.000 0.985 336 G HN 0.851 nan 8.290 nan 0.000 0.555 337 G N -2.742 106.226 108.800 0.280 0.000 2.320 337 G HA2 0.493 4.453 3.960 -0.000 0.000 0.274 337 G HA3 0.493 4.453 3.960 -0.000 0.000 0.274 337 G C -0.973 174.048 174.900 0.202 0.000 1.324 337 G CA 0.117 45.405 45.100 0.314 0.000 0.957 337 G HN 2.034 nan 8.290 nan 0.000 0.481 338 L N 1.104 122.400 121.223 0.121 0.000 2.380 338 L HA 0.479 4.818 4.340 -0.000 0.000 0.273 338 L C 1.354 178.263 176.870 0.065 0.000 1.138 338 L CA 0.246 55.111 54.840 0.043 0.000 0.832 338 L CB 0.734 42.788 42.059 -0.008 0.000 1.124 338 L HN 0.566 nan 8.230 nan 0.000 0.454 339 D N 2.730 123.169 120.400 0.065 0.000 2.182 339 D HA -0.190 4.450 4.640 -0.000 0.000 0.201 339 D C 1.868 178.176 176.300 0.013 0.000 0.986 339 D CA 1.146 55.185 54.000 0.065 0.000 0.847 339 D CB -0.006 40.829 40.800 0.058 0.000 0.942 339 D HN 0.610 nan 8.370 nan 0.000 0.467 340 R N 0.926 121.420 120.500 -0.010 0.000 2.096 340 R HA -0.165 4.175 4.340 -0.000 0.000 0.240 340 R C 1.174 177.458 176.300 -0.026 0.000 1.139 340 R CA 1.691 57.771 56.100 -0.033 0.000 0.952 340 R CB 0.004 30.265 30.300 -0.066 0.000 0.854 340 R HN 0.110 nan 8.270 nan 0.000 0.436 341 D N 0.319 120.708 120.400 -0.018 0.000 2.194 341 D HA -0.085 4.555 4.640 -0.000 0.000 0.204 341 D C 2.068 178.336 176.300 -0.053 0.000 0.964 341 D CA 0.780 54.767 54.000 -0.022 0.000 0.846 341 D CB -0.014 40.784 40.800 -0.003 0.000 0.962 341 D HN 0.302 nan 8.370 nan 0.000 0.490 342 L N 1.002 122.193 121.223 -0.055 0.000 2.141 342 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 342 L C 1.877 178.688 176.870 -0.097 0.000 1.094 342 L CA 0.904 55.681 54.840 -0.104 0.000 0.763 342 L CB -0.123 41.872 42.059 -0.106 0.000 0.908 342 L HN -0.140 nan 8.230 nan 0.000 0.437 343 D N -0.072 120.295 120.400 -0.055 0.000 2.149 343 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 343 D C 2.197 178.476 176.300 -0.035 0.000 0.972 343 D CA 0.797 54.773 54.000 -0.039 0.000 0.835 343 D CB -0.111 40.680 40.800 -0.015 0.000 0.966 343 D HN 0.229 nan 8.370 nan 0.000 0.476 344 L N 0.717 121.919 121.223 -0.035 0.000 2.043 344 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 344 L C 2.151 178.902 176.870 -0.198 0.000 1.075 344 L CA 1.112 55.923 54.840 -0.048 0.000 0.752 344 L CB -0.053 41.995 42.059 -0.018 0.000 0.891 344 L HN -0.108 nan 8.230 nan 0.000 0.432 345 V N -0.021 119.801 119.914 -0.152 0.000 2.358 345 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 345 V C 2.652 178.720 176.094 -0.045 0.000 1.047 345 V CA 1.944 64.171 62.300 -0.122 0.000 1.035 345 V CB -0.696 31.035 31.823 -0.154 0.000 0.658 345 V HN 0.465 nan 8.190 nan 0.000 0.452 346 R N 0.184 120.638 120.500 -0.076 0.000 2.083 346 R HA -0.221 4.118 4.340 -0.000 0.000 0.237 346 R C 2.424 178.743 176.300 0.032 0.000 1.137 346 R CA 1.750 57.827 56.100 -0.039 0.000 0.951 346 R CB -0.399 29.868 30.300 -0.054 0.000 0.851 346 R HN 0.294 nan 8.270 nan 0.000 0.434 347 K N 0.948 121.366 120.400 0.030 0.000 2.097 347 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 347 K C 1.832 178.502 176.600 0.116 0.000 1.049 347 K CA 1.589 57.932 56.287 0.093 0.000 0.933 347 K CB -0.324 32.279 32.500 0.171 0.000 0.717 347 K HN 0.179 nan 8.250 nan 0.000 0.442 348 A N -0.519 122.301 122.820 0.001 0.000 1.877 348 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 348 A C 2.038 179.555 177.584 -0.111 0.000 1.186 348 A CA 1.540 53.577 52.037 -0.000 0.000 0.620 348 A CB -0.941 17.997 19.000 -0.104 0.000 0.822 348 A HN 0.410 nan 8.150 nan 0.000 0.443 349 Y N -0.104 120.128 120.300 -0.113 0.000 2.352 349 Y HA -0.009 4.541 4.550 -0.000 0.000 0.292 349 Y C 2.826 178.659 175.900 -0.111 0.000 1.136 349 Y CA 0.582 58.620 58.100 -0.105 0.000 1.227 349 Y CB -0.432 37.992 38.460 -0.060 0.000 0.991 349 Y HN 0.344 nan 8.280 nan 0.000 0.545 350 A N 0.192 123.044 122.820 0.053 0.000 1.873 350 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 350 A C 2.241 179.796 177.584 -0.048 0.000 1.186 350 A CA 1.614 53.659 52.037 0.013 0.000 0.616 350 A CB -1.017 18.001 19.000 0.031 0.000 0.823 350 A HN 0.437 nan 8.150 nan 0.000 0.442 351 I N 0.515 121.029 120.570 -0.093 0.000 2.248 351 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 351 I C 2.158 178.140 176.117 -0.225 0.000 1.107 351 I CA 1.784 62.999 61.300 -0.142 0.000 1.373 351 I CB -0.191 37.711 38.000 -0.165 0.000 1.055 351 I HN 0.353 nan 8.210 nan 0.000 0.418 352 V N -1.268 118.432 119.914 -0.356 0.000 3.630 352 V HA 0.370 4.490 4.120 -0.000 0.000 0.273 352 V C 1.384 177.398 176.094 -0.134 0.000 1.248 352 V CA 0.472 62.601 62.300 -0.285 0.000 1.170 352 V CB -0.720 30.869 31.823 -0.390 0.000 0.899 352 V HN 0.587 nan 8.190 nan 0.000 0.457 353 G N 1.211 109.958 108.800 -0.089 0.000 2.148 353 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.254 353 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.254 353 G C 0.444 175.337 174.900 -0.011 0.000 0.981 353 G CA 0.721 45.799 45.100 -0.036 0.000 0.670 353 G HN 1.521 nan 8.290 nan 0.000 0.528 354 T N -2.265 112.288 114.554 -0.003 0.000 3.532 354 T HA 0.632 4.981 4.350 -0.000 0.000 0.241 354 T C -0.862 173.919 174.700 0.135 0.000 1.238 354 T CA -0.548 61.587 62.100 0.058 0.000 1.405 354 T CB 1.946 70.848 68.868 0.057 0.000 0.971 354 T HN 0.109 nan 8.240 nan 0.000 0.640 355 P HA -0.016 nan 4.420 nan 0.000 0.218 355 P C 0.446 177.778 177.300 0.053 0.000 1.149 355 P CA 1.063 64.212 63.100 0.081 0.000 0.817 355 P CB 0.195 31.917 31.700 0.036 0.000 0.785 356 D N -1.095 119.335 120.400 0.050 0.000 2.340 356 D HA -0.006 4.634 4.640 -0.000 0.000 0.220 356 D C 1.232 177.563 176.300 0.051 0.000 1.039 356 D CA 0.230 54.246 54.000 0.027 0.000 0.866 356 D CB -0.700 40.118 40.800 0.029 0.000 0.913 356 D HN 0.053 nan 8.370 nan 0.000 0.523 357 N N -0.085 118.677 118.700 0.104 0.000 2.457 357 N HA -0.052 4.688 4.740 -0.000 0.000 0.180 357 N C 0.262 175.755 175.510 -0.028 0.000 1.050 357 N CA 0.169 53.310 53.050 0.151 0.000 0.906 357 N CB 0.549 39.226 38.487 0.316 0.000 0.968 357 N HN 0.071 nan 8.380 nan 0.000 0.445 358 V N 1.076 120.788 119.914 -0.336 0.000 2.350 358 V HA 0.333 4.453 4.120 -0.000 0.000 0.276 358 V C -0.537 175.350 176.094 -0.344 0.000 1.028 358 V CA -0.715 61.223 62.300 -0.603 0.000 0.860 358 V CB 0.963 32.175 31.823 -1.019 0.000 0.990 358 V HN -0.081 nan 8.190 nan 0.000 0.453 359 K N 6.563 126.758 120.400 -0.342 0.000 2.206 359 K HA 0.662 4.982 4.320 -0.000 0.000 0.264 359 K C -1.120 175.194 176.600 -0.477 0.000 0.967 359 K CA -0.313 55.742 56.287 -0.387 0.000 0.844 359 K CB 1.279 33.535 32.500 -0.406 0.000 1.099 359 K HN 0.726 nan 8.250 nan 0.000 0.441 360 I N 4.694 124.956 120.570 -0.514 0.000 2.545 360 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 360 I C -1.183 174.586 176.117 -0.580 0.000 1.040 360 I CA -1.019 60.001 61.300 -0.466 0.000 1.068 360 I CB 1.413 39.194 38.000 -0.364 0.000 1.251 360 I HN 0.579 nan 8.210 nan 0.000 0.424 361 Y N 3.796 123.930 120.300 -0.276 0.000 2.553 361 Y HA 0.515 5.065 4.550 -0.000 0.000 0.347 361 Y C -0.013 175.718 175.900 -0.280 0.000 1.019 361 Y CA -0.759 57.216 58.100 -0.210 0.000 1.032 361 Y CB 1.759 40.116 38.460 -0.171 0.000 1.284 361 Y HN 0.424 nan 8.280 nan 0.000 0.466 362 H N -0.086 119.079 119.070 0.157 0.000 2.630 362 H HA 0.316 4.872 4.556 -0.000 0.000 0.343 362 H C -1.020 174.377 175.328 0.115 0.000 1.232 362 H CA -0.862 55.268 56.048 0.137 0.000 1.294 362 H CB 1.191 31.072 29.762 0.197 0.000 1.746 362 H HN 0.616 nan 8.280 nan 0.000 0.593 363 Y N 0.941 121.420 120.300 0.298 0.000 2.480 363 Y HA -0.059 4.490 4.550 -0.000 0.000 0.338 363 Y C 1.992 177.996 175.900 0.173 0.000 1.220 363 Y CA 0.109 58.327 58.100 0.198 0.000 1.430 363 Y CB 0.717 39.325 38.460 0.247 0.000 1.311 363 Y HN 0.459 nan 8.280 nan 0.000 0.575 364 K N 1.363 121.907 120.400 0.240 0.000 2.211 364 K HA -0.228 4.092 4.320 -0.000 0.000 0.204 364 K C 1.909 178.546 176.600 0.061 0.000 1.047 364 K CA 1.422 57.787 56.287 0.129 0.000 0.935 364 K CB -0.003 32.545 32.500 0.079 0.000 0.728 364 K HN 0.565 nan 8.250 nan 0.000 0.452 365 K N 0.357 120.770 120.400 0.021 0.000 2.057 365 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 365 K C 0.747 177.092 176.600 -0.424 0.000 1.049 365 K CA 1.256 57.384 56.287 -0.265 0.000 0.931 365 K CB 0.074 32.304 32.500 -0.450 0.000 0.714 365 K HN 0.011 nan 8.250 nan 0.000 0.440 366 F N 0.454 120.438 119.950 0.057 0.000 2.668 366 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 366 F C 1.685 177.459 175.800 -0.043 0.000 1.124 366 F CA -0.218 57.773 58.000 -0.014 0.000 1.353 366 F CB 0.573 39.555 39.000 -0.030 0.000 0.992 366 F HN 0.050 nan 8.300 nan 0.000 0.524 367 S N -1.899 113.881 115.700 0.133 0.000 2.436 367 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 367 S C 0.720 175.359 174.600 0.066 0.000 1.014 367 S CA 0.131 58.410 58.200 0.133 0.000 0.950 367 S CB -0.316 62.970 63.200 0.143 0.000 0.784 367 S HN 0.286 nan 8.310 nan 0.000 0.504 368 D N 3.683 124.100 120.400 0.029 0.000 2.401 368 D HA 0.200 4.840 4.640 -0.000 0.000 0.254 368 D C -1.371 174.932 176.300 0.006 0.000 1.192 368 D CA -2.205 51.802 54.000 0.012 0.000 0.885 368 D CB 1.289 42.084 40.800 -0.009 0.000 1.147 368 D HN 0.058 nan 8.370 nan 0.000 0.478 369 P HA -0.107 nan 4.420 nan 0.000 0.222 369 P C 0.455 177.753 177.300 -0.003 0.000 1.147 369 P CA 0.659 63.755 63.100 -0.006 0.000 0.790 369 P CB 0.336 32.039 31.700 0.005 0.000 0.780 370 D N -0.566 119.836 120.400 0.003 0.000 2.310 370 D HA -0.084 4.556 4.640 -0.000 0.000 0.212 370 D C 1.766 178.075 176.300 0.016 0.000 0.965 370 D CA 1.466 55.469 54.000 0.005 0.000 0.879 370 D CB -0.625 40.175 40.800 0.000 0.000 0.921 370 D HN 0.316 nan 8.370 nan 0.000 0.510 371 T N -2.577 111.996 114.554 0.032 0.000 3.107 371 T HA 0.136 4.486 4.350 -0.000 0.000 0.249 371 T C 0.896 175.681 174.700 0.143 0.000 1.096 371 T CA -0.210 61.947 62.100 0.096 0.000 1.012 371 T CB 0.474 69.399 68.868 0.095 0.000 0.977 371 T HN -0.054 nan 8.240 nan 0.000 0.527 372 R N 0.892 121.415 120.500 0.037 0.000 2.711 372 R HA 0.642 4.982 4.340 -0.000 0.000 0.284 372 R C -0.857 175.426 176.300 -0.028 0.000 0.968 372 R CA -1.023 55.058 56.100 -0.030 0.000 0.924 372 R CB 1.323 31.552 30.300 -0.119 0.000 1.162 372 R HN 0.014 nan 8.270 nan 0.000 0.465 373 K N 1.939 122.315 120.400 -0.040 0.000 2.270 373 K HA 0.319 4.639 4.320 -0.000 0.000 0.255 373 K C -0.684 175.898 176.600 -0.029 0.000 0.936 373 K CA -0.877 55.393 56.287 -0.028 0.000 0.809 373 K CB 1.679 34.163 32.500 -0.026 0.000 1.131 373 K HN 0.437 nan 8.250 nan 0.000 0.427 374 N N 2.108 120.796 118.700 -0.020 0.000 2.420 374 N HA 0.239 4.979 4.740 -0.000 0.000 0.249 374 N C -0.542 174.955 175.510 -0.020 0.000 1.033 374 N CA -0.159 52.880 53.050 -0.020 0.000 0.944 374 N CB 1.077 39.555 38.487 -0.014 0.000 1.113 374 N HN 0.360 nan 8.380 nan 0.000 0.502 375 V N -0.114 119.782 119.914 -0.029 0.000 2.971 375 V HA 0.487 4.607 4.120 -0.000 0.000 0.309 375 V C 0.545 176.597 176.094 -0.069 0.000 1.130 375 V CA -0.787 61.498 62.300 -0.025 0.000 0.964 375 V CB 2.488 34.308 31.823 -0.004 0.000 1.029 375 V HN 0.285 nan 8.190 nan 0.000 0.427 376 E N 0.960 121.099 120.200 -0.101 0.000 2.385 376 E HA 0.203 4.553 4.350 -0.000 0.000 0.194 376 E C -0.744 175.499 176.600 -0.595 0.000 1.013 376 E CA 0.995 57.211 56.400 -0.308 0.000 0.866 376 E CB 0.115 29.632 29.700 -0.305 0.000 0.832 376 E HN 0.804 nan 8.360 nan 0.000 0.500 377 Y N -0.730 119.565 120.300 -0.007 0.000 2.562 377 Y HA 0.378 4.927 4.550 -0.000 0.000 0.345 377 Y C 0.026 175.921 175.900 -0.009 0.000 1.045 377 Y CA -0.826 57.269 58.100 -0.009 0.000 1.028 377 Y CB 1.339 39.793 38.460 -0.010 0.000 1.297 377 Y HN -0.249 nan 8.280 nan 0.000 0.463 378 L N 4.687 126.007 121.223 0.161 0.000 2.418 378 L HA 0.442 4.782 4.340 -0.000 0.000 0.265 378 L C -2.026 174.893 176.870 0.082 0.000 1.143 378 L CA -1.832 53.061 54.840 0.088 0.000 0.809 378 L CB 0.771 42.880 42.059 0.083 0.000 1.124 378 L HN 0.409 nan 8.230 nan 0.000 0.456 379 P HA 0.130 nan 4.420 nan 0.000 0.275 379 P C -0.926 176.397 177.300 0.038 0.000 1.227 379 P CA -0.338 62.785 63.100 0.038 0.000 0.781 379 P CB 0.663 32.376 31.700 0.022 0.000 0.906 380 E N 0.535 120.754 120.200 0.032 0.000 2.371 380 E HA 0.363 4.713 4.350 -0.000 0.000 0.257 380 E C 0.888 177.500 176.600 0.019 0.000 1.134 380 E CA -0.223 56.198 56.400 0.035 0.000 0.919 380 E CB 0.081 29.806 29.700 0.042 0.000 1.025 380 E HN 0.745 nan 8.360 nan 0.000 0.438 381 G N 1.139 109.946 108.800 0.011 0.000 2.160 381 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.251 381 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.251 381 G C 0.085 174.981 174.900 -0.005 0.000 1.008 381 G CA -0.021 45.077 45.100 -0.003 0.000 0.724 381 G HN 0.277 nan 8.290 nan 0.000 0.514 382 L N 0.646 121.868 121.223 -0.001 0.000 2.453 382 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 382 L C 0.869 177.729 176.870 -0.017 0.000 1.179 382 L CA -0.476 54.365 54.840 0.002 0.000 0.813 382 L CB 0.459 42.538 42.059 0.033 0.000 1.110 382 L HN 0.435 nan 8.230 nan 0.000 0.466 383 D N -0.055 120.339 120.400 -0.011 0.000 2.487 383 D HA 0.164 4.804 4.640 -0.000 0.000 0.262 383 D C 0.748 177.033 176.300 -0.025 0.000 1.130 383 D CA -0.805 53.184 54.000 -0.018 0.000 1.038 383 D CB 0.768 41.566 40.800 -0.003 0.000 1.142 383 D HN 0.358 nan 8.370 nan 0.000 0.575 384 R N -0.381 120.104 120.500 -0.026 0.000 2.105 384 R HA -0.162 4.178 4.340 -0.000 0.000 0.239 384 R C 1.013 177.356 176.300 0.072 0.000 1.135 384 R CA 1.441 57.520 56.100 -0.034 0.000 0.967 384 R CB -0.167 30.164 30.300 0.051 0.000 0.861 384 R HN 0.393 nan 8.270 nan 0.000 0.442 385 N N 0.607 119.370 118.700 0.105 0.000 2.171 385 N HA -0.125 4.614 4.740 -0.000 0.000 0.184 385 N C 1.358 176.923 175.510 0.090 0.000 1.021 385 N CA 1.450 54.583 53.050 0.138 0.000 0.854 385 N CB -0.139 38.400 38.487 0.088 0.000 0.994 385 N HN 0.387 nan 8.380 nan 0.000 0.426 386 E N -0.512 119.713 120.200 0.043 0.000 2.150 386 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 386 E C 1.521 178.107 176.600 -0.024 0.000 0.985 386 E CA 0.553 56.960 56.400 0.011 0.000 0.814 386 E CB -0.157 29.548 29.700 0.007 0.000 0.752 386 E HN 0.437 nan 8.360 nan 0.000 0.466 387 Y N 0.473 120.675 120.300 -0.164 0.000 2.114 387 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 387 Y C 1.738 177.470 175.900 -0.279 0.000 1.143 387 Y CA 1.535 59.479 58.100 -0.260 0.000 1.135 387 Y CB -0.279 37.936 38.460 -0.408 0.000 0.980 387 Y HN -0.071 nan 8.280 nan 0.000 0.499 388 F N 0.737 120.595 119.950 -0.154 0.000 2.269 388 F HA -0.049 4.478 4.527 -0.001 0.000 0.301 388 F C 1.719 177.260 175.800 -0.431 0.000 1.082 388 F CA 1.033 58.822 58.000 -0.353 0.000 1.360 388 F CB -0.637 38.236 39.000 -0.212 0.000 1.041 388 F HN -0.084 nan 8.300 nan 0.000 0.512 392 N N -0.239 118.120 118.700 -0.569 0.000 2.725 392 N HA -0.135 4.605 4.740 -0.000 0.000 0.251 392 N C -0.239 174.882 175.510 -0.647 0.000 1.031 392 N CA 0.812 53.293 53.050 -0.949 0.000 0.720 392 N CB -1.001 37.201 38.487 -0.475 0.000 0.930 392 N HN 0.663 nan 8.380 nan 0.000 0.543 393 V N 0.105 119.643 119.914 -0.627 0.000 2.483 393 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 393 V C 0.107 175.839 176.094 -0.604 0.000 1.035 393 V CA -0.456 61.509 62.300 -0.558 0.000 0.896 393 V CB 1.962 33.420 31.823 -0.608 0.000 0.986 393 V HN 0.166 nan 8.190 nan 0.000 0.447 394 D N 2.984 122.722 120.400 -1.102 0.000 2.464 394 D HA 0.423 5.063 4.640 -0.000 0.000 0.243 394 D C 1.153 177.164 176.300 -0.482 0.000 1.104 394 D CA 0.156 53.801 54.000 -0.592 0.000 0.883 394 D CB 1.476 42.016 40.800 -0.434 0.000 1.050 394 D HN 0.525 nan 8.370 nan 0.000 0.524 395 G N 4.015 112.626 108.800 -0.314 0.000 2.529 395 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 395 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 395 G C -0.608 174.299 174.900 0.011 0.000 1.177 395 G CA 0.574 45.562 45.100 -0.187 0.000 0.773 395 G HN 0.469 nan 8.290 nan 0.000 0.573 396 P HA -0.055 nan 4.420 nan 0.000 0.217 396 P C 1.032 178.452 177.300 0.199 0.000 1.148 396 P CA 0.951 64.107 63.100 0.093 0.000 0.828 396 P CB 0.027 31.758 31.700 0.052 0.000 0.783 397 N N -1.779 117.063 118.700 0.237 0.000 2.327 397 N HA -0.002 4.738 4.740 -0.000 0.000 0.231 397 N C -0.161 175.645 175.510 0.494 0.000 1.130 397 N CA -0.001 53.295 53.050 0.410 0.000 0.845 397 N CB -0.971 37.746 38.487 0.385 0.000 1.073 397 N HN 0.254 nan 8.380 nan 0.000 0.496 398 H N 1.274 120.576 119.070 0.388 0.000 2.846 398 H HA 0.272 4.828 4.556 -0.000 0.000 0.278 398 H C -0.812 174.824 175.328 0.514 0.000 1.117 398 H CA -0.406 55.886 56.048 0.406 0.000 1.406 398 H CB -0.417 29.538 29.762 0.323 0.000 1.445 398 H HN 0.179 nan 8.280 nan 0.000 0.469 399 Y N 2.432 122.802 120.300 0.117 0.000 2.677 399 Y HA 0.256 4.806 4.550 -0.001 0.000 0.334 399 Y C -1.772 174.085 175.900 -0.070 0.000 1.196 399 Y CA -2.025 56.042 58.100 -0.054 0.000 1.059 399 Y CB 0.263 38.696 38.460 -0.045 0.000 1.315 399 Y HN 0.370 nan 8.280 nan 0.000 0.455 400 F N 4.080 123.851 119.950 -0.299 0.000 2.487 400 F HA 0.316 4.843 4.527 0.000 0.000 0.364 400 F C 0.383 176.191 175.800 0.013 0.000 1.126 400 F CA -0.472 57.433 58.000 -0.160 0.000 1.135 400 F CB 0.631 39.475 39.000 -0.261 0.000 1.127 400 F HN 0.346 nan 8.300 nan 0.000 0.559 401 K N 5.252 125.349 120.400 -0.506 0.000 2.199 401 K HA 0.023 4.343 4.320 -0.000 0.000 0.226 401 K C 1.326 177.787 176.600 -0.231 0.000 1.237 401 K CA 0.195 56.279 56.287 -0.337 0.000 1.170 401 K CB -0.235 32.007 32.500 -0.430 0.000 1.418 401 K HN 0.673 nan 8.250 nan 0.000 0.255 402 S N 1.667 117.379 115.700 0.021 0.000 2.370 402 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 402 S C 1.741 176.371 174.600 0.051 0.000 1.033 402 S CA 1.425 59.683 58.200 0.096 0.000 1.011 402 S CB 0.031 63.290 63.200 0.099 0.000 0.852 402 S HN 0.655 nan 8.310 nan 0.000 0.457 403 E N 1.700 121.918 120.200 0.030 0.000 2.171 403 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 403 E C 1.800 178.386 176.600 -0.023 0.000 0.997 403 E CA 1.149 57.555 56.400 0.009 0.000 0.810 403 E CB -0.562 29.142 29.700 0.006 0.000 0.738 403 E HN 0.497 nan 8.360 nan 0.000 0.467 404 L N 0.338 121.510 121.223 -0.086 0.000 2.221 404 L HA 0.015 4.355 4.340 -0.000 0.000 0.202 404 L C 2.716 179.622 176.870 0.060 0.000 1.074 404 L CA 0.321 55.088 54.840 -0.121 0.000 0.795 404 L CB -0.172 41.676 42.059 -0.352 0.000 0.960 404 L HN -0.077 nan 8.230 nan 0.000 0.458 405 V N -0.349 119.599 119.914 0.057 0.000 2.407 405 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 405 V C 2.419 178.772 176.094 0.431 0.000 1.055 405 V CA 1.332 63.785 62.300 0.254 0.000 1.049 405 V CB -0.225 31.750 31.823 0.252 0.000 0.662 405 V HN 0.167 nan 8.190 nan 0.000 0.455 406 V N 0.272 120.376 119.914 0.317 0.000 2.244 406 V HA -0.123 3.997 4.120 -0.000 0.000 0.244 406 V C 0.125 176.394 176.094 0.293 0.000 1.042 406 V CA 2.456 64.951 62.300 0.326 0.000 1.006 406 V CB -1.735 30.201 31.823 0.188 0.000 0.641 406 V HN 0.508 nan 8.190 nan 0.000 0.446 407 P HA -0.175 nan 4.420 nan 0.000 0.220 407 P C 1.261 178.711 177.300 0.250 0.000 1.148 407 P CA 1.319 64.539 63.100 0.199 0.000 0.803 407 P CB -0.110 31.683 31.700 0.156 0.000 0.782 408 W N 0.277 121.654 121.300 0.128 0.000 2.388 408 W HA -0.090 4.570 4.660 -0.001 0.000 0.294 408 W C 1.745 178.335 176.519 0.117 0.000 1.212 408 W CA 1.240 58.657 57.345 0.120 0.000 1.271 408 W CB -0.861 28.674 29.460 0.125 0.000 1.126 408 W HN -0.204 nan 8.180 nan 0.000 0.535 409 L N 0.392 121.691 121.223 0.126 0.000 2.109 409 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 409 L C 2.694 179.567 176.870 0.004 0.000 1.086 409 L CA 1.262 56.058 54.840 -0.074 0.000 0.760 409 L CB -0.745 41.390 42.059 0.126 0.000 0.910 409 L HN -0.087 nan 8.230 nan 0.000 0.437 410 R N 0.384 120.962 120.500 0.130 0.000 2.080 410 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 410 R C 2.261 178.581 176.300 0.032 0.000 1.137 410 R CA 1.554 57.728 56.100 0.123 0.000 0.943 410 R CB -0.302 30.066 30.300 0.113 0.000 0.846 410 R HN 0.326 nan 8.270 nan 0.000 0.431 411 K N 0.257 120.651 120.400 -0.010 0.000 2.148 411 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 411 K C 2.025 178.556 176.600 -0.115 0.000 1.050 411 K CA 0.735 56.997 56.287 -0.042 0.000 0.942 411 K CB -0.124 32.367 32.500 -0.016 0.000 0.724 411 K HN 0.033 nan 8.250 nan 0.000 0.446 412 L N 0.849 121.921 121.223 -0.251 0.000 2.044 412 L HA -0.042 4.297 4.340 -0.000 0.000 0.205 412 L C 0.619 177.420 176.870 -0.116 0.000 1.075 412 L CA 1.540 56.203 54.840 -0.295 0.000 0.747 412 L CB -0.023 41.646 42.059 -0.649 0.000 0.903 412 L HN -0.048 nan 8.230 nan 0.000 0.435 413 L N 0.000 121.163 121.223 -0.101 0.000 2.949 413 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 413 L CA 0.000 54.806 54.840 -0.056 0.000 0.813 413 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 413 L HN 0.000 nan 8.230 nan 0.000 0.502