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 3mk7_1_G DATA FIRST_RESID 6 DATA SEQUENCE STAYSYKVVR QFAIMTVVWG IVGMGLGVFI AAQLAWPFLN FDLPWTSFGR DATA SEQUENCE LRPLHTNAVI FAFGGCALFA TSYYSVQRTC QTTLFAPKLA AFTFWGWQLV DATA SEQUENCE ILLAAISLPL GFTSSKEYAE LEWPIDILIT IVWVAYAVVF FGTLAKRKVK DATA SEQUENCE HIYVGNWFFG AFILTVAILH VVNNLEIPVT AMKSYSLYAG ATDAMVQWWY DATA SEQUENCE GHNAVGFFLT AGFLGIMYYF VPKQAERPVY SYRLSIVHFW ALITVYIWAG DATA SEQUENCE PHHLHYTALP DWAQSLGMVM SLILLAPSWG GMINGMMTLS GAWHKLRSDP DATA SEQUENCE ILRFLVVSLA FYGMSTFEGP MMAIKTVNAL SHYTDWTIGH VHAGALGWVA DATA SEQUENCE MVSIGALYHL VPKVFGREQM HSIGLINTHF WLATIGTVLY IASMWVNGIA DATA SEQUENCE QGLMWRAIND DGTLTYSFVE SLEASHPGFV VRMIGGAIFF AGMLVMAYNT DATA SEQUENCE WRTVQAAKPA EYDAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.532 174.600 -0.113 0.000 1.055 6 S CA 0.000 58.154 58.200 -0.077 0.000 1.107 6 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 7 T N 0.336 114.807 114.554 -0.139 0.000 3.364 7 T HA 0.760 5.110 4.350 0.000 0.000 0.323 7 T C -0.126 174.415 174.700 -0.265 0.000 1.323 7 T CA -0.181 61.794 62.100 -0.208 0.000 1.073 7 T CB 0.616 69.366 68.868 -0.196 0.000 1.150 7 T HN 0.632 nan 8.240 nan 0.000 0.727 8 A N 2.652 125.296 122.820 -0.295 0.000 2.500 8 A HA 0.532 4.852 4.320 0.000 0.000 0.291 8 A C -0.913 176.485 177.584 -0.310 0.000 1.048 8 A CA -1.134 50.688 52.037 -0.358 0.000 0.791 8 A CB 0.617 19.465 19.000 -0.254 0.000 1.309 8 A HN 0.534 nan 8.150 nan 0.000 0.397 9 Y N 1.080 121.206 120.300 -0.289 0.000 2.805 9 Y HA 0.170 4.720 4.550 0.000 0.000 0.337 9 Y C 1.533 177.309 175.900 -0.206 0.000 1.252 9 Y CA 0.913 58.861 58.100 -0.254 0.000 1.515 9 Y CB 0.659 38.935 38.460 -0.307 0.000 1.305 9 Y HN 0.615 nan 8.280 nan 0.000 0.600 10 S N 4.106 119.875 115.700 0.114 0.000 2.498 10 S HA 0.098 4.568 4.470 0.000 0.000 0.314 10 S C 0.555 175.309 174.600 0.256 0.000 1.141 10 S CA -0.230 58.027 58.200 0.094 0.000 1.087 10 S CB -0.617 62.602 63.200 0.032 0.000 1.178 10 S HN 0.706 nan 8.310 nan 0.000 0.533 11 Y N 2.516 122.837 120.300 0.034 0.000 2.466 11 Y HA 0.025 4.575 4.550 0.000 0.000 0.272 11 Y C 2.066 177.937 175.900 -0.047 0.000 1.169 11 Y CA -0.354 57.763 58.100 0.029 0.000 1.285 11 Y CB 0.316 38.800 38.460 0.040 0.000 1.078 11 Y HN 0.513 nan 8.280 nan 0.000 0.523 12 K N 0.993 121.445 120.400 0.087 0.000 2.009 12 K HA -0.154 4.166 4.320 0.000 0.000 0.210 12 K C 1.613 178.154 176.600 -0.099 0.000 1.049 12 K CA 2.027 58.296 56.287 -0.030 0.000 0.929 12 K CB -0.744 31.745 32.500 -0.019 0.000 0.714 12 K HN 0.088 nan 8.250 nan 0.000 0.440 13 V N 0.259 120.153 119.914 -0.032 0.000 2.358 13 V HA -0.202 3.918 4.120 0.000 0.000 0.246 13 V C 2.384 178.518 176.094 0.067 0.000 1.047 13 V CA 1.717 64.006 62.300 -0.019 0.000 1.035 13 V CB -0.589 31.332 31.823 0.163 0.000 0.658 13 V HN 0.162 nan 8.190 nan 0.000 0.452 14 V N 0.008 120.005 119.914 0.138 0.000 2.324 14 V HA -0.327 3.793 4.120 0.000 0.000 0.250 14 V C 2.628 178.702 176.094 -0.032 0.000 1.060 14 V CA 2.484 64.850 62.300 0.110 0.000 1.042 14 V CB -0.860 30.984 31.823 0.035 0.000 0.650 14 V HN 0.451 nan 8.190 nan 0.000 0.450 15 R N -0.538 119.862 120.500 -0.166 0.000 2.083 15 R HA -0.218 4.122 4.340 0.000 0.000 0.237 15 R C 2.530 178.705 176.300 -0.207 0.000 1.137 15 R CA 2.067 57.995 56.100 -0.287 0.000 0.951 15 R CB -0.235 29.762 30.300 -0.505 0.000 0.851 15 R HN 0.622 nan 8.270 nan 0.000 0.434 16 Q N -0.683 118.877 119.800 -0.401 0.000 2.002 16 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 16 Q C 1.986 177.695 176.000 -0.486 0.000 0.988 16 Q CA 2.140 57.500 55.803 -0.738 0.000 0.843 16 Q CB -0.250 27.424 28.738 -1.773 0.000 0.908 16 Q HN 0.327 nan 8.270 nan 0.000 0.420 17 F N 0.441 120.206 119.950 -0.308 0.000 2.161 17 F HA -0.273 4.254 4.527 0.000 0.000 0.300 17 F C 2.344 178.166 175.800 0.037 0.000 1.089 17 F CA 0.630 58.636 58.000 0.011 0.000 1.282 17 F CB -0.261 38.748 39.000 0.014 0.000 1.010 17 F HN 0.141 nan 8.300 nan 0.000 0.485 18 A N 0.603 123.521 122.820 0.162 0.000 1.851 18 A HA -0.191 4.129 4.320 0.000 0.000 0.216 18 A C 2.148 179.798 177.584 0.110 0.000 1.195 18 A CA 1.676 53.775 52.037 0.104 0.000 0.622 18 A CB -0.868 18.185 19.000 0.089 0.000 0.831 18 A HN 0.227 nan 8.150 nan 0.000 0.444 19 I N -0.441 120.196 120.570 0.112 0.000 2.163 19 I HA -0.236 3.934 4.170 0.000 0.000 0.243 19 I C 2.520 178.671 176.117 0.057 0.000 1.085 19 I CA 1.495 62.844 61.300 0.081 0.000 1.347 19 I CB -1.224 36.831 38.000 0.092 0.000 1.044 19 I HN 0.267 nan 8.210 nan 0.000 0.408 20 M N 0.080 119.740 119.600 0.100 0.000 2.279 20 M HA -0.132 4.348 4.480 0.000 0.000 0.264 20 M C 2.260 178.711 176.300 0.251 0.000 1.062 20 M CA 1.388 56.757 55.300 0.114 0.000 1.099 20 M CB -1.795 31.007 32.600 0.337 0.000 1.394 20 M HN 0.240 nan 8.290 nan 0.000 0.426 21 T N 0.654 115.392 114.554 0.306 0.000 2.720 21 T HA -0.090 4.260 4.350 0.000 0.000 0.268 21 T C 2.062 176.970 174.700 0.348 0.000 1.037 21 T CA 1.478 63.777 62.100 0.332 0.000 1.144 21 T CB -0.357 68.600 68.868 0.150 0.000 0.864 21 T HN 0.191 nan 8.240 nan 0.000 0.444 22 V N 1.158 121.177 119.914 0.176 0.000 2.358 22 V HA -0.123 3.997 4.120 0.000 0.000 0.246 22 V C 2.674 178.809 176.094 0.067 0.000 1.047 22 V CA 1.135 63.503 62.300 0.112 0.000 1.035 22 V CB -0.758 31.069 31.823 0.006 0.000 0.658 22 V HN 0.310 nan 8.190 nan 0.000 0.452 23 V N -0.978 118.914 119.914 -0.036 0.000 2.261 23 V HA -0.278 3.842 4.120 0.000 0.000 0.246 23 V C 2.155 178.168 176.094 -0.136 0.000 1.047 23 V CA 2.293 64.471 62.300 -0.204 0.000 1.015 23 V CB -0.822 30.726 31.823 -0.459 0.000 0.642 23 V HN 0.629 nan 8.190 nan 0.000 0.446 24 W N 0.388 121.815 121.300 0.211 0.000 2.388 24 W HA 0.032 4.692 4.660 0.000 0.000 0.294 24 W C 2.527 179.197 176.519 0.251 0.000 1.212 24 W CA 0.709 58.200 57.345 0.243 0.000 1.271 24 W CB -0.869 28.770 29.460 0.298 0.000 1.126 24 W HN 0.300 nan 8.180 nan 0.000 0.535 25 G N 1.344 110.434 108.800 0.484 0.000 2.514 25 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 25 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 25 G C 1.334 176.301 174.900 0.111 0.000 1.198 25 G CA 1.631 46.792 45.100 0.101 0.000 0.780 25 G HN 0.056 nan 8.290 nan 0.000 0.565 26 I N 0.726 121.377 120.570 0.135 0.000 2.091 26 I HA -0.174 3.996 4.170 0.000 0.000 0.239 26 I C 3.011 179.333 176.117 0.342 0.000 1.061 26 I CA 1.048 62.464 61.300 0.194 0.000 1.317 26 I CB -1.395 36.643 38.000 0.064 0.000 1.031 26 I HN 0.052 nan 8.210 nan 0.000 0.401 27 V N 1.429 121.508 119.914 0.275 0.000 2.332 27 V HA -0.236 3.884 4.120 0.000 0.000 0.248 27 V C 2.696 178.977 176.094 0.312 0.000 1.055 27 V CA 2.231 64.710 62.300 0.298 0.000 1.038 27 V CB -1.479 30.578 31.823 0.390 0.000 0.651 27 V HN 0.577 nan 8.190 nan 0.000 0.450 28 G N -1.003 108.000 108.800 0.339 0.000 2.404 28 G HA2 -0.221 3.739 3.960 0.000 0.000 0.215 28 G HA3 -0.221 3.739 3.960 0.000 0.000 0.215 28 G C 1.600 176.699 174.900 0.331 0.000 1.174 28 G CA 0.941 46.223 45.100 0.304 0.000 0.780 28 G HN 0.449 nan 8.290 nan 0.000 0.537 29 M N 0.835 120.609 119.600 0.290 0.000 2.288 29 M HA 0.125 4.605 4.480 0.000 0.000 0.266 29 M C 2.771 179.173 176.300 0.170 0.000 1.072 29 M CA 0.938 56.422 55.300 0.306 0.000 1.132 29 M CB -0.172 32.653 32.600 0.375 0.000 1.386 29 M HN 0.269 nan 8.290 nan 0.000 0.432 30 G N 0.975 109.855 108.800 0.133 0.000 2.480 30 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 30 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 30 G C 1.482 176.328 174.900 -0.091 0.000 1.200 30 G CA 0.646 45.578 45.100 -0.280 0.000 0.782 30 G HN 0.315 nan 8.290 nan 0.000 0.554 31 L N 0.810 122.079 121.223 0.075 0.000 2.021 31 L HA -0.151 4.189 4.340 0.000 0.000 0.215 31 L C 3.179 180.083 176.870 0.057 0.000 1.074 31 L CA 1.415 56.336 54.840 0.136 0.000 0.760 31 L CB -0.766 41.419 42.059 0.208 0.000 0.889 31 L HN 0.383 nan 8.230 nan 0.000 0.433 32 G N -0.674 108.090 108.800 -0.059 0.000 2.514 32 G HA2 -0.268 3.692 3.960 0.000 0.000 0.217 32 G HA3 -0.268 3.692 3.960 0.000 0.000 0.217 32 G C 1.544 176.318 174.900 -0.210 0.000 1.198 32 G CA 1.100 45.918 45.100 -0.471 0.000 0.780 32 G HN 0.241 nan 8.290 nan 0.000 0.565 33 V N 0.426 120.267 119.914 -0.121 0.000 2.324 33 V HA -0.203 3.917 4.120 0.000 0.000 0.250 33 V C 2.350 178.421 176.094 -0.038 0.000 1.060 33 V CA 2.110 64.349 62.300 -0.101 0.000 1.042 33 V CB -0.658 31.044 31.823 -0.202 0.000 0.650 33 V HN 0.374 nan 8.190 nan 0.000 0.450 34 F N 1.414 121.282 119.950 -0.137 0.000 2.051 34 F HA -0.181 4.346 4.527 0.000 0.000 0.296 34 F C 2.249 178.019 175.800 -0.049 0.000 1.122 34 F CA 2.164 60.120 58.000 -0.073 0.000 1.201 34 F CB -0.418 38.556 39.000 -0.043 0.000 0.978 34 F HN 0.244 nan 8.300 nan 0.000 0.472 35 I N -0.589 119.934 120.570 -0.078 0.000 2.361 35 I HA -0.108 4.062 4.170 0.000 0.000 0.251 35 I C 2.290 178.364 176.117 -0.072 0.000 1.133 35 I CA 1.500 62.764 61.300 -0.060 0.000 1.413 35 I CB -1.301 36.691 38.000 -0.013 0.000 1.073 35 I HN 0.127 nan 8.210 nan 0.000 0.424 36 A N 1.644 124.371 122.820 -0.155 0.000 1.908 36 A HA -0.080 4.240 4.320 0.000 0.000 0.218 36 A C 2.598 179.972 177.584 -0.350 0.000 1.181 36 A CA 2.173 54.063 52.037 -0.245 0.000 0.627 36 A CB -1.117 17.745 19.000 -0.230 0.000 0.818 36 A HN 0.624 nan 8.150 nan 0.000 0.445 37 A N -0.859 121.795 122.820 -0.276 0.000 1.930 37 A HA -0.184 4.136 4.320 0.000 0.000 0.217 37 A C 2.095 179.476 177.584 -0.339 0.000 1.175 37 A CA 1.538 53.456 52.037 -0.199 0.000 0.627 37 A CB -0.550 18.462 19.000 0.020 0.000 0.815 37 A HN 0.662 nan 8.150 nan 0.000 0.443 38 Q N -0.504 119.005 119.800 -0.486 0.000 2.170 38 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 38 Q C 1.940 177.630 176.000 -0.517 0.000 0.976 38 Q CA 1.242 56.746 55.803 -0.498 0.000 0.858 38 Q CB -0.305 28.186 28.738 -0.413 0.000 0.907 38 Q HN 0.666 nan 8.270 nan 0.000 0.433 39 L N -0.219 120.610 121.223 -0.656 0.000 2.217 39 L HA -0.116 4.224 4.340 0.000 0.000 0.211 39 L C 2.311 178.693 176.870 -0.814 0.000 1.107 39 L CA 0.658 54.945 54.840 -0.921 0.000 0.783 39 L CB -0.331 40.963 42.059 -1.275 0.000 0.919 39 L HN 0.205 nan 8.230 nan 0.000 0.442 40 A N -0.978 121.369 122.820 -0.787 0.000 1.903 40 A HA -0.086 4.234 4.320 0.000 0.000 0.213 40 A C 0.681 177.855 177.584 -0.683 0.000 1.185 40 A CA 0.578 52.030 52.037 -0.976 0.000 0.628 40 A CB 0.005 17.826 19.000 -1.965 0.000 0.830 40 A HN 0.429 nan 8.150 nan 0.000 0.446 41 W N -0.985 120.263 121.300 -0.087 0.000 2.481 41 W HA 0.388 5.048 4.660 0.000 0.000 0.285 41 W C -2.815 173.573 176.519 -0.219 0.000 1.017 41 W CA -2.204 55.135 57.345 -0.010 0.000 1.499 41 W CB 0.240 29.764 29.460 0.107 0.000 1.381 41 W HN 0.197 nan 8.180 nan 0.000 0.390 42 P HA -0.224 nan 4.420 nan 0.000 0.223 42 P C 1.595 178.808 177.300 -0.144 0.000 1.144 42 P CA 1.327 64.354 63.100 -0.120 0.000 0.783 42 P CB -0.216 31.454 31.700 -0.049 0.000 0.771 43 F N -1.265 118.638 119.950 -0.078 0.000 2.333 43 F HA -0.056 4.471 4.527 0.000 0.000 0.300 43 F C 1.497 177.074 175.800 -0.370 0.000 1.083 43 F CA 0.912 58.840 58.000 -0.120 0.000 1.395 43 F CB -1.614 37.366 39.000 -0.033 0.000 1.056 43 F HN -0.222 nan 8.300 nan 0.000 0.529 44 L N 0.953 121.317 121.223 -1.431 0.000 2.633 44 L HA -0.098 4.242 4.340 0.000 0.000 0.235 44 L C 1.929 178.007 176.870 -1.319 0.000 1.163 44 L CA 0.351 54.184 54.840 -1.678 0.000 0.859 44 L CB -0.903 40.403 42.059 -1.255 0.000 0.973 44 L HN 0.289 nan 8.230 nan 0.000 0.451 45 N N 0.697 118.974 118.700 -0.706 0.000 2.309 45 N HA -0.141 4.599 4.740 0.000 0.000 0.182 45 N C 0.696 176.153 175.510 -0.088 0.000 1.018 45 N CA 0.937 53.813 53.050 -0.291 0.000 0.876 45 N CB 0.069 38.468 38.487 -0.147 0.000 0.972 45 N HN 0.267 nan 8.380 nan 0.000 0.434 46 F N 0.092 120.082 119.950 0.067 0.000 3.034 46 F HA -0.276 4.251 4.527 0.000 0.000 0.286 46 F C -0.180 175.655 175.800 0.058 0.000 0.804 46 F CA 0.350 58.410 58.000 0.099 0.000 1.161 46 F CB -2.016 37.061 39.000 0.127 0.000 1.317 46 F HN 0.004 nan 8.300 nan 0.000 0.453 47 D N -0.323 120.165 120.400 0.146 0.000 2.737 47 D HA -0.188 4.452 4.640 0.000 0.000 0.233 47 D C -0.376 175.932 176.300 0.013 0.000 1.155 47 D CA 0.999 55.038 54.000 0.065 0.000 0.667 47 D CB -0.728 40.116 40.800 0.074 0.000 1.060 47 D HN 0.153 nan 8.370 nan 0.000 0.427 48 L N 0.278 121.497 121.223 -0.007 0.000 2.365 48 L HA 0.342 4.682 4.340 0.000 0.000 0.273 48 L C -1.127 175.506 176.870 -0.395 0.000 1.000 48 L CA -1.983 52.736 54.840 -0.202 0.000 0.819 48 L CB 1.593 43.623 42.059 -0.048 0.000 1.284 48 L HN -0.300 nan 8.230 nan 0.000 0.418 49 P HA -0.167 nan 4.420 nan 0.000 0.216 49 P C 0.807 177.812 177.300 -0.490 0.000 1.150 49 P CA 1.677 64.351 63.100 -0.710 0.000 0.837 49 P CB -0.012 31.081 31.700 -1.012 0.000 0.786 50 W N 0.622 121.943 121.300 0.037 0.000 2.905 50 W HA 0.160 4.820 4.660 0.000 0.000 0.251 50 W C 1.388 177.950 176.519 0.072 0.000 1.305 50 W CA 1.230 58.594 57.345 0.033 0.000 1.465 50 W CB -1.822 27.651 29.460 0.021 0.000 1.122 50 W HN 0.009 nan 8.180 nan 0.000 0.659 51 T N -2.795 111.881 114.554 0.203 0.000 3.040 51 T HA 0.199 4.549 4.350 0.000 0.000 0.266 51 T C 0.850 175.688 174.700 0.230 0.000 1.005 51 T CA 0.126 62.398 62.100 0.286 0.000 0.906 51 T CB -0.596 68.519 68.868 0.412 0.000 1.082 51 T HN 0.034 nan 8.240 nan 0.000 0.531 52 S N 0.576 116.337 115.700 0.102 0.000 2.585 52 S HA 0.332 4.802 4.470 0.000 0.000 0.273 52 S C 0.890 175.557 174.600 0.110 0.000 1.339 52 S CA -0.781 57.464 58.200 0.075 0.000 1.028 52 S CB 0.351 63.557 63.200 0.009 0.000 0.906 52 S HN 0.235 nan 8.310 nan 0.000 0.528 53 F N 3.171 123.095 119.950 -0.043 0.000 2.091 53 F HA 0.035 4.562 4.527 0.000 0.000 0.299 53 F C 2.306 178.100 175.800 -0.009 0.000 1.103 53 F CA 2.280 60.252 58.000 -0.047 0.000 1.228 53 F CB -1.049 37.885 39.000 -0.111 0.000 0.984 53 F HN 0.789 nan 8.300 nan 0.000 0.477 54 G N 0.024 108.902 108.800 0.130 0.000 2.475 54 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 54 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 54 G C 1.803 176.671 174.900 -0.055 0.000 1.125 54 G CA 0.916 46.042 45.100 0.044 0.000 0.755 54 G HN 0.350 nan 8.290 nan 0.000 0.565 55 R N -0.619 119.856 120.500 -0.042 0.000 2.128 55 R HA 0.287 4.627 4.340 0.000 0.000 0.211 55 R C 2.562 178.840 176.300 -0.036 0.000 1.067 55 R CA 0.058 56.142 56.100 -0.027 0.000 1.010 55 R CB -0.373 29.932 30.300 0.008 0.000 0.922 55 R HN 0.303 nan 8.270 nan 0.000 0.457 56 L N 0.567 121.761 121.223 -0.049 0.000 2.083 56 L HA -0.120 4.220 4.340 0.000 0.000 0.209 56 L C 2.763 179.570 176.870 -0.105 0.000 1.083 56 L CA 1.135 55.958 54.840 -0.028 0.000 0.752 56 L CB -0.441 41.649 42.059 0.053 0.000 0.899 56 L HN 0.188 nan 8.230 nan 0.000 0.433 57 R N 0.523 120.837 120.500 -0.310 0.000 2.122 57 R HA -0.189 4.151 4.340 0.000 0.000 0.236 57 R C -0.400 175.863 176.300 -0.060 0.000 1.129 57 R CA 2.415 58.325 56.100 -0.317 0.000 0.925 57 R CB -1.316 28.681 30.300 -0.505 0.000 0.850 57 R HN 0.253 nan 8.270 nan 0.000 0.431 58 P HA -0.188 nan 4.420 nan 0.000 0.221 58 P C 1.518 178.832 177.300 0.023 0.000 1.145 58 P CA 1.213 64.305 63.100 -0.013 0.000 0.795 58 P CB -0.154 31.530 31.700 -0.028 0.000 0.775 59 L N -0.672 120.568 121.223 0.028 0.000 1.994 59 L HA -0.205 4.135 4.340 0.000 0.000 0.208 59 L C 2.891 179.818 176.870 0.094 0.000 1.071 59 L CA 2.075 56.948 54.840 0.055 0.000 0.745 59 L CB -0.998 41.100 42.059 0.064 0.000 0.892 59 L HN 0.081 nan 8.230 nan 0.000 0.431 60 H N -0.558 118.536 119.070 0.041 0.000 2.265 60 H HA -0.223 4.333 4.556 0.000 0.000 0.295 60 H C 2.067 177.453 175.328 0.096 0.000 1.084 60 H CA 2.637 58.729 56.048 0.074 0.000 1.261 60 H CB -0.559 29.242 29.762 0.065 0.000 1.360 60 H HN 0.162 nan 8.280 nan 0.000 0.487 61 T N 0.462 114.923 114.554 -0.154 0.000 2.570 61 T HA -0.244 4.106 4.350 0.000 0.000 0.266 61 T C 1.956 176.640 174.700 -0.027 0.000 1.071 61 T CA 1.897 63.931 62.100 -0.110 0.000 1.172 61 T CB -0.410 68.500 68.868 0.069 0.000 0.864 61 T HN 0.516 nan 8.240 nan 0.000 0.421 62 N N 0.541 119.290 118.700 0.083 0.000 2.142 62 N HA -0.062 4.678 4.740 0.000 0.000 0.186 62 N C 2.221 177.797 175.510 0.109 0.000 1.023 62 N CA 1.120 54.291 53.050 0.202 0.000 0.852 62 N CB -0.228 38.363 38.487 0.173 0.000 0.998 62 N HN 0.382 nan 8.380 nan 0.000 0.424 63 A N 0.944 123.787 122.820 0.038 0.000 1.908 63 A HA -0.108 4.212 4.320 0.000 0.000 0.218 63 A C 2.419 180.076 177.584 0.122 0.000 1.181 63 A CA 1.302 53.367 52.037 0.046 0.000 0.627 63 A CB -0.797 18.268 19.000 0.109 0.000 0.818 63 A HN 0.165 nan 8.150 nan 0.000 0.445 64 V N -0.688 119.245 119.914 0.032 0.000 2.535 64 V HA -0.080 4.040 4.120 0.000 0.000 0.246 64 V C 2.206 178.376 176.094 0.126 0.000 1.045 64 V CA 1.645 63.985 62.300 0.067 0.000 1.058 64 V CB -0.202 31.516 31.823 -0.175 0.000 0.689 64 V HN 0.564 nan 8.190 nan 0.000 0.461 65 I N -1.523 118.998 120.570 -0.081 0.000 2.368 65 I HA -0.058 4.112 4.170 0.000 0.000 0.238 65 I C 2.026 178.035 176.117 -0.180 0.000 1.076 65 I CA 1.350 62.479 61.300 -0.285 0.000 1.397 65 I CB -0.271 37.251 38.000 -0.797 0.000 1.141 65 I HN 0.215 nan 8.210 nan 0.000 0.430 66 F N 0.750 120.758 119.950 0.097 0.000 2.293 66 F HA 0.022 4.549 4.527 0.000 0.000 0.297 66 F C 2.406 178.491 175.800 0.476 0.000 1.089 66 F CA 0.998 59.172 58.000 0.290 0.000 1.377 66 F CB -0.894 38.147 39.000 0.067 0.000 1.051 66 F HN -0.014 nan 8.300 nan 0.000 0.511 67 A N -0.102 122.917 122.820 0.333 0.000 1.844 67 A HA -0.059 4.261 4.320 0.000 0.000 0.212 67 A C 2.019 179.887 177.584 0.473 0.000 1.221 67 A CA 1.012 53.153 52.037 0.173 0.000 0.607 67 A CB -1.286 17.528 19.000 -0.310 0.000 0.878 67 A HN 0.296 nan 8.150 nan 0.000 0.451 68 F N 1.096 121.244 119.950 0.331 0.000 2.022 68 F HA 0.080 4.607 4.527 0.000 0.000 0.293 68 F C 2.375 178.373 175.800 0.331 0.000 1.142 68 F CA 1.859 60.068 58.000 0.347 0.000 1.177 68 F CB -0.963 38.191 39.000 0.256 0.000 0.982 68 F HN 0.195 nan 8.300 nan 0.000 0.473 69 G N -0.257 108.607 108.800 0.107 0.000 2.476 69 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 69 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 69 G C 1.901 176.951 174.900 0.251 0.000 1.164 69 G CA 0.896 46.089 45.100 0.156 0.000 0.768 69 G HN 0.724 nan 8.290 nan 0.000 0.560 70 G N 0.068 109.188 108.800 0.534 0.000 2.459 70 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 70 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 70 G C 1.894 176.918 174.900 0.206 0.000 1.183 70 G CA 1.395 46.827 45.100 0.553 0.000 0.776 70 G HN 0.467 nan 8.290 nan 0.000 0.552 71 C N 0.835 120.357 119.300 0.370 0.000 2.440 71 C HA 0.238 4.698 4.460 0.000 0.000 0.278 71 C C 3.533 178.538 174.990 0.026 0.000 1.295 71 C CA 0.610 59.834 59.018 0.343 0.000 1.738 71 C CB -0.961 27.163 27.740 0.640 0.000 1.987 71 C HN 0.589 nan 8.230 nan 0.000 0.492 72 A N 0.400 123.156 122.820 -0.107 0.000 1.892 72 A HA -0.167 4.153 4.320 0.000 0.000 0.218 72 A C 1.966 179.301 177.584 -0.416 0.000 1.188 72 A CA 1.676 53.546 52.037 -0.279 0.000 0.631 72 A CB -0.641 18.121 19.000 -0.397 0.000 0.822 72 A HN 0.435 nan 8.150 nan 0.000 0.447 73 L N -1.649 119.230 121.223 -0.574 0.000 2.046 73 L HA -0.083 4.257 4.340 0.000 0.000 0.208 73 L C 2.385 178.787 176.870 -0.781 0.000 1.077 73 L CA 1.559 55.939 54.840 -0.765 0.000 0.747 73 L CB -1.503 39.968 42.059 -0.980 0.000 0.896 73 L HN 0.461 nan 8.230 nan 0.000 0.432 74 F N -0.473 118.892 119.950 -0.974 0.000 2.046 74 F HA -0.261 4.266 4.527 0.000 0.000 0.297 74 F C 2.502 177.724 175.800 -0.963 0.000 1.123 74 F CA 1.529 58.659 58.000 -1.449 0.000 1.199 74 F CB -0.848 36.634 39.000 -2.531 0.000 0.972 74 F HN 0.094 nan 8.300 nan 0.000 0.474 75 A N -0.521 122.073 122.820 -0.378 0.000 1.883 75 A HA -0.211 4.109 4.320 0.000 0.000 0.217 75 A C 2.194 179.724 177.584 -0.089 0.000 1.186 75 A CA 2.474 54.459 52.037 -0.088 0.000 0.624 75 A CB -1.360 17.638 19.000 -0.004 0.000 0.822 75 A HN 0.379 nan 8.150 nan 0.000 0.444 76 T N 0.336 114.785 114.554 -0.176 0.000 2.701 76 T HA -0.145 4.205 4.350 0.000 0.000 0.263 76 T C 2.438 177.056 174.700 -0.137 0.000 1.040 76 T CA 2.236 64.316 62.100 -0.034 0.000 1.147 76 T CB -0.477 68.366 68.868 -0.041 0.000 0.865 76 T HN 0.808 nan 8.240 nan 0.000 0.426 77 S N 0.736 116.129 115.700 -0.512 0.000 2.368 77 S HA -0.122 4.348 4.470 0.000 0.000 0.225 77 S C 1.925 176.388 174.600 -0.228 0.000 1.030 77 S CA 0.998 58.689 58.200 -0.848 0.000 0.999 77 S CB -1.145 61.423 63.200 -1.053 0.000 0.844 77 S HN 0.677 nan 8.310 nan 0.000 0.459 78 Y N -0.154 120.054 120.300 -0.154 0.000 2.224 78 Y HA -0.157 4.393 4.550 0.000 0.000 0.289 78 Y C 2.612 178.471 175.900 -0.070 0.000 1.146 78 Y CA 1.181 59.256 58.100 -0.042 0.000 1.182 78 Y CB -0.356 38.135 38.460 0.052 0.000 0.983 78 Y HN 0.326 nan 8.280 nan 0.000 0.524 79 Y N 0.277 120.556 120.300 -0.035 0.000 2.092 79 Y HA -0.311 4.239 4.550 0.000 0.000 0.282 79 Y C 2.910 178.590 175.900 -0.367 0.000 1.126 79 Y CA 1.718 59.709 58.100 -0.181 0.000 1.111 79 Y CB -0.884 37.487 38.460 -0.148 0.000 0.987 79 Y HN 0.011 nan 8.280 nan 0.000 0.489 80 S N -0.744 114.727 115.700 -0.382 0.000 2.359 80 S HA -0.254 4.216 4.470 0.000 0.000 0.223 80 S C 2.210 176.512 174.600 -0.497 0.000 1.039 80 S CA 1.868 59.645 58.200 -0.704 0.000 1.042 80 S CB -1.217 61.779 63.200 -0.340 0.000 0.915 80 S HN 0.437 nan 8.310 nan 0.000 0.439 81 V N 1.386 121.114 119.914 -0.309 0.000 2.332 81 V HA -0.199 3.921 4.120 0.000 0.000 0.248 81 V C 2.546 178.462 176.094 -0.298 0.000 1.055 81 V CA 2.539 64.675 62.300 -0.273 0.000 1.038 81 V CB -0.772 30.841 31.823 -0.350 0.000 0.651 81 V HN 0.622 nan 8.190 nan 0.000 0.450 82 Q N -0.684 118.925 119.800 -0.319 0.000 2.030 82 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 82 Q C 2.442 178.179 176.000 -0.438 0.000 0.986 82 Q CA 2.333 57.950 55.803 -0.310 0.000 0.843 82 Q CB -0.195 28.347 28.738 -0.326 0.000 0.904 82 Q HN 0.619 nan 8.270 nan 0.000 0.420 83 R N -0.650 119.398 120.500 -0.752 0.000 2.062 83 R HA -0.049 4.291 4.340 0.000 0.000 0.229 83 R C 2.365 178.509 176.300 -0.259 0.000 1.128 83 R CA 1.457 57.175 56.100 -0.638 0.000 0.960 83 R CB -0.610 29.233 30.300 -0.761 0.000 0.855 83 R HN 0.134 nan 8.270 nan 0.000 0.432 84 T N 0.168 114.560 114.554 -0.271 0.000 2.946 84 T HA -0.115 4.235 4.350 0.000 0.000 0.271 84 T C 1.522 176.178 174.700 -0.074 0.000 1.104 84 T CA 1.380 63.406 62.100 -0.125 0.000 1.114 84 T CB -0.128 68.718 68.868 -0.037 0.000 0.867 84 T HN 0.602 nan 8.240 nan 0.000 0.513 85 C N -0.334 118.915 119.300 -0.085 0.000 3.785 85 C HA 0.489 4.949 4.460 0.000 0.000 0.312 85 C C 0.456 175.440 174.990 -0.010 0.000 1.566 85 C CA -0.721 58.270 59.018 -0.045 0.000 1.837 85 C CB -0.512 27.190 27.740 -0.063 0.000 2.826 85 C HN 0.496 nan 8.230 nan 0.000 0.667 86 Q N 1.795 121.620 119.800 0.042 0.000 2.470 86 Q HA -0.127 4.213 4.340 0.000 0.000 0.290 86 Q C -0.223 175.848 176.000 0.117 0.000 1.353 86 Q CA 1.495 57.391 55.803 0.155 0.000 0.787 86 Q CB -2.348 26.430 28.738 0.068 0.000 1.158 86 Q HN 0.961 nan 8.270 nan 0.000 0.426 87 T N -3.944 110.708 114.554 0.164 0.000 2.843 87 T HA 0.470 4.820 4.350 0.000 0.000 0.302 87 T C 0.052 174.842 174.700 0.150 0.000 1.232 87 T CA -0.713 61.434 62.100 0.077 0.000 1.009 87 T CB 1.967 70.844 68.868 0.015 0.000 1.254 87 T HN -0.002 nan 8.240 nan 0.000 0.504 88 T N 2.148 116.744 114.554 0.071 0.000 2.930 88 T HA 0.275 4.625 4.350 0.000 0.000 0.306 88 T C 0.668 175.398 174.700 0.050 0.000 1.045 88 T CA -0.423 61.724 62.100 0.078 0.000 1.134 88 T CB -0.064 68.808 68.868 0.006 0.000 0.961 88 T HN 0.444 nan 8.240 nan 0.000 0.545 89 L N 3.267 124.502 121.223 0.019 0.000 2.615 89 L HA 0.025 4.365 4.340 0.000 0.000 0.284 89 L C 0.541 177.426 176.870 0.025 0.000 1.237 89 L CA -0.051 54.772 54.840 -0.029 0.000 0.905 89 L CB -0.028 41.942 42.059 -0.148 0.000 1.149 89 L HN 0.636 nan 8.230 nan 0.000 0.499 90 F N 5.257 125.159 119.950 -0.079 0.000 2.578 90 F HA 0.286 4.813 4.527 0.000 0.000 0.381 90 F C 0.917 176.701 175.800 -0.026 0.000 1.069 90 F CA -0.062 57.911 58.000 -0.044 0.000 1.231 90 F CB 0.351 39.331 39.000 -0.034 0.000 1.086 90 F HN 0.710 nan 8.300 nan 0.000 0.564 91 A N 6.070 128.475 122.820 -0.691 0.000 1.936 91 A HA -0.161 4.159 4.320 0.000 0.000 0.254 91 A C -1.896 175.544 177.584 -0.240 0.000 1.352 91 A CA 0.191 51.897 52.037 -0.551 0.000 0.724 91 A CB -1.604 16.942 19.000 -0.757 0.000 1.196 91 A HN 0.687 nan 8.150 nan 0.000 0.283 92 P HA -0.146 nan 4.420 nan 0.000 0.223 92 P C 1.255 178.540 177.300 -0.026 0.000 1.151 92 P CA 1.356 64.405 63.100 -0.085 0.000 0.787 92 P CB 0.111 31.777 31.700 -0.057 0.000 0.788 93 K N -0.577 119.811 120.400 -0.020 0.000 2.116 93 K HA -0.032 4.288 4.320 0.000 0.000 0.203 93 K C 2.109 178.777 176.600 0.113 0.000 1.052 93 K CA 0.634 56.950 56.287 0.049 0.000 0.952 93 K CB -0.716 31.799 32.500 0.024 0.000 0.729 93 K HN 0.081 nan 8.250 nan 0.000 0.446 94 L N 1.335 122.592 121.223 0.058 0.000 2.191 94 L HA -0.087 4.253 4.340 0.000 0.000 0.212 94 L C 2.163 179.202 176.870 0.282 0.000 1.103 94 L CA 1.316 56.249 54.840 0.155 0.000 0.769 94 L CB -0.410 41.682 42.059 0.055 0.000 0.908 94 L HN 0.097 nan 8.230 nan 0.000 0.438 95 A N -0.756 122.160 122.820 0.160 0.000 1.929 95 A HA -0.024 4.296 4.320 0.000 0.000 0.216 95 A C 2.453 180.211 177.584 0.291 0.000 1.176 95 A CA 1.386 53.534 52.037 0.185 0.000 0.628 95 A CB -0.968 17.931 19.000 -0.167 0.000 0.816 95 A HN 0.497 nan 8.150 nan 0.000 0.444 96 A N -0.749 122.212 122.820 0.235 0.000 1.902 96 A HA -0.068 4.253 4.320 0.000 0.000 0.217 96 A C 2.023 179.852 177.584 0.409 0.000 1.181 96 A CA 1.663 53.868 52.037 0.281 0.000 0.623 96 A CB -0.805 18.359 19.000 0.272 0.000 0.818 96 A HN 0.755 nan 8.150 nan 0.000 0.443 97 F N 2.220 122.339 119.950 0.281 0.000 2.065 97 F HA -0.262 4.265 4.527 0.000 0.000 0.298 97 F C 2.667 178.637 175.800 0.283 0.000 1.112 97 F CA 2.769 60.940 58.000 0.285 0.000 1.212 97 F CB -0.963 38.160 39.000 0.206 0.000 0.975 97 F HN 0.331 nan 8.300 nan 0.000 0.476 98 T N -1.611 113.034 114.554 0.153 0.000 2.946 98 T HA -0.260 4.090 4.350 0.000 0.000 0.271 98 T C 1.852 176.556 174.700 0.006 0.000 1.104 98 T CA 1.350 63.475 62.100 0.041 0.000 1.114 98 T CB -1.398 67.663 68.868 0.322 0.000 0.867 98 T HN 0.488 nan 8.240 nan 0.000 0.513 99 F N 0.332 120.198 119.950 -0.140 0.000 2.037 99 F HA 0.122 4.649 4.527 0.000 0.000 0.291 99 F C 2.007 177.528 175.800 -0.465 0.000 1.137 99 F CA 0.737 58.367 58.000 -0.617 0.000 1.178 99 F CB -0.298 38.100 39.000 -1.003 0.000 0.995 99 F HN 0.113 nan 8.300 nan 0.000 0.472 100 W N 0.899 121.961 121.300 -0.396 0.000 2.363 100 W HA -0.022 4.638 4.660 0.000 0.000 0.296 100 W C 2.629 178.923 176.519 -0.376 0.000 1.212 100 W CA 1.113 58.199 57.345 -0.431 0.000 1.260 100 W CB -1.259 28.124 29.460 -0.129 0.000 1.131 100 W HN 0.215 nan 8.180 nan 0.000 0.530 101 G N 0.289 108.941 108.800 -0.247 0.000 2.491 101 G HA2 -0.321 3.639 3.960 0.000 0.000 0.218 101 G HA3 -0.321 3.639 3.960 0.000 0.000 0.218 101 G C 1.318 176.132 174.900 -0.143 0.000 1.180 101 G CA 1.015 45.897 45.100 -0.363 0.000 0.774 101 G HN 0.374 nan 8.290 nan 0.000 0.562 102 W N 0.754 121.852 121.300 -0.337 0.000 2.388 102 W HA -0.077 4.583 4.660 0.000 0.000 0.294 102 W C 2.530 178.899 176.519 -0.250 0.000 1.212 102 W CA 1.350 58.553 57.345 -0.235 0.000 1.271 102 W CB 0.123 29.420 29.460 -0.272 0.000 1.126 102 W HN 0.233 nan 8.180 nan 0.000 0.535 103 Q N 0.339 119.961 119.800 -0.296 0.000 2.079 103 Q HA -0.198 4.143 4.340 0.000 0.000 0.200 103 Q C 2.379 178.258 176.000 -0.201 0.000 0.974 103 Q CA 1.079 56.714 55.803 -0.280 0.000 0.840 103 Q CB -1.185 27.312 28.738 -0.401 0.000 0.898 103 Q HN 0.360 nan 8.270 nan 0.000 0.430 104 L N 0.451 121.581 121.223 -0.155 0.000 2.042 104 L HA -0.169 4.171 4.340 0.000 0.000 0.210 104 L C 2.197 178.941 176.870 -0.210 0.000 1.076 104 L CA 1.236 56.003 54.840 -0.122 0.000 0.749 104 L CB -0.397 41.620 42.059 -0.070 0.000 0.893 104 L HN 0.063 nan 8.230 nan 0.000 0.432 105 V N 0.548 120.271 119.914 -0.319 0.000 2.255 105 V HA -0.348 3.772 4.120 0.000 0.000 0.247 105 V C 2.488 178.295 176.094 -0.478 0.000 1.051 105 V CA 2.203 64.243 62.300 -0.434 0.000 1.018 105 V CB -0.346 31.076 31.823 -0.668 0.000 0.641 105 V HN 0.369 nan 8.190 nan 0.000 0.445 106 I N -0.831 119.380 120.570 -0.598 0.000 2.226 106 I HA -0.259 3.911 4.170 0.000 0.000 0.245 106 I C 2.338 178.212 176.117 -0.405 0.000 1.100 106 I CA 1.482 62.409 61.300 -0.621 0.000 1.374 106 I CB -0.295 37.116 38.000 -0.981 0.000 1.057 106 I HN 0.244 nan 8.210 nan 0.000 0.413 107 L N -0.185 120.884 121.223 -0.257 0.000 2.083 107 L HA -0.219 4.121 4.340 0.000 0.000 0.209 107 L C 2.309 179.115 176.870 -0.107 0.000 1.083 107 L CA 1.116 55.897 54.840 -0.099 0.000 0.752 107 L CB -0.109 41.941 42.059 -0.015 0.000 0.899 107 L HN 0.183 nan 8.230 nan 0.000 0.433 108 L N -0.657 120.475 121.223 -0.151 0.000 2.093 108 L HA -0.129 4.211 4.340 0.000 0.000 0.208 108 L C 2.707 179.502 176.870 -0.124 0.000 1.085 108 L CA 1.927 56.685 54.840 -0.137 0.000 0.755 108 L CB -1.498 40.461 42.059 -0.166 0.000 0.904 108 L HN 0.260 nan 8.230 nan 0.000 0.435 109 A N -0.643 122.077 122.820 -0.167 0.000 1.883 109 A HA -0.188 4.132 4.320 0.000 0.000 0.217 109 A C 2.504 180.046 177.584 -0.070 0.000 1.186 109 A CA 1.966 53.924 52.037 -0.132 0.000 0.624 109 A CB -0.909 17.980 19.000 -0.184 0.000 0.822 109 A HN 0.402 nan 8.150 nan 0.000 0.444 110 A N -0.236 122.538 122.820 -0.078 0.000 1.883 110 A HA -0.104 4.216 4.320 0.000 0.000 0.217 110 A C 2.149 179.740 177.584 0.012 0.000 1.186 110 A CA 1.693 53.721 52.037 -0.014 0.000 0.624 110 A CB -0.594 18.415 19.000 0.014 0.000 0.822 110 A HN 0.511 nan 8.150 nan 0.000 0.444 111 I N -0.026 120.544 120.570 -0.001 0.000 2.233 111 I HA -0.185 3.985 4.170 0.000 0.000 0.243 111 I C 2.909 179.070 176.117 0.072 0.000 1.093 111 I CA 1.451 62.761 61.300 0.017 0.000 1.380 111 I CB -0.212 37.783 38.000 -0.007 0.000 1.067 111 I HN 0.499 nan 8.210 nan 0.000 0.413 112 S N 1.257 116.999 115.700 0.071 0.000 2.383 112 S HA -0.083 4.387 4.470 0.000 0.000 0.227 112 S C 2.027 176.746 174.600 0.200 0.000 1.026 112 S CA 0.883 59.201 58.200 0.197 0.000 0.981 112 S CB -0.593 62.658 63.200 0.086 0.000 0.818 112 S HN 0.379 nan 8.310 nan 0.000 0.472 113 L N 1.198 122.474 121.223 0.088 0.000 2.072 113 L HA 0.104 4.444 4.340 0.000 0.000 0.205 113 L C -0.708 176.192 176.870 0.050 0.000 1.079 113 L CA 0.842 55.714 54.840 0.055 0.000 0.752 113 L CB -1.294 40.781 42.059 0.027 0.000 0.906 113 L HN 0.286 nan 8.230 nan 0.000 0.436 114 P HA -0.104 nan 4.420 nan 0.000 0.222 114 P C 1.575 178.981 177.300 0.176 0.000 1.153 114 P CA 0.731 63.913 63.100 0.136 0.000 0.798 114 P CB 0.155 31.959 31.700 0.172 0.000 0.796 115 L N -1.335 119.954 121.223 0.111 0.000 2.456 115 L HA 0.118 4.458 4.340 0.000 0.000 0.224 115 L C 1.713 178.358 176.870 -0.375 0.000 1.148 115 L CA 1.758 56.607 54.840 0.014 0.000 0.825 115 L CB -1.557 40.582 42.059 0.134 0.000 0.937 115 L HN 0.191 nan 8.230 nan 0.000 0.450 116 G N -2.185 106.439 108.800 -0.293 0.000 2.176 116 G HA2 -0.281 3.679 3.960 0.000 0.000 0.232 116 G HA3 -0.281 3.679 3.960 0.000 0.000 0.232 116 G C 0.220 174.885 174.900 -0.392 0.000 0.986 116 G CA -0.148 44.751 45.100 -0.335 0.000 0.643 116 G HN 0.182 nan 8.290 nan 0.000 0.522 117 F N 2.432 122.385 119.950 0.006 0.000 2.566 117 F HA 0.594 5.121 4.527 0.000 0.000 0.349 117 F C 0.897 176.675 175.800 -0.037 0.000 1.245 117 F CA 0.266 58.251 58.000 -0.025 0.000 1.169 117 F CB 0.922 39.892 39.000 -0.051 0.000 1.470 117 F HN 0.089 nan 8.300 nan 0.000 0.634 118 T N -0.388 114.217 114.554 0.085 0.000 2.893 118 T HA 0.310 4.660 4.350 0.000 0.000 0.293 118 T C 0.905 175.621 174.700 0.027 0.000 1.027 118 T CA -0.285 61.838 62.100 0.038 0.000 0.988 118 T CB 1.409 70.280 68.868 0.006 0.000 1.043 118 T HN 0.426 nan 8.240 nan 0.000 0.461 119 S N 2.512 118.217 115.700 0.008 0.000 2.561 119 S HA 0.055 4.525 4.470 0.000 0.000 0.225 119 S C 1.671 176.272 174.600 0.001 0.000 0.977 119 S CA 1.114 59.316 58.200 0.004 0.000 0.926 119 S CB -0.681 62.508 63.200 -0.018 0.000 0.769 119 S HN 2.104 nan 8.310 nan 0.000 0.533 120 S N 0.019 115.713 115.700 -0.009 0.000 2.450 120 S HA -0.271 4.199 4.470 0.000 0.000 0.248 120 S C 0.015 174.589 174.600 -0.043 0.000 1.240 120 S CA 1.243 59.436 58.200 -0.012 0.000 1.532 120 S CB -2.384 60.827 63.200 0.018 0.000 1.941 120 S HN 0.744 nan 8.310 nan 0.000 0.623 121 K N 2.602 122.960 120.400 -0.071 0.000 2.416 121 K HA 0.210 4.530 4.320 0.000 0.000 0.283 121 K C 0.270 176.763 176.600 -0.178 0.000 1.037 121 K CA 0.170 56.375 56.287 -0.138 0.000 0.995 121 K CB 0.241 32.637 32.500 -0.173 0.000 0.938 121 K HN 0.508 nan 8.250 nan 0.000 0.475 122 E N 2.581 122.626 120.200 -0.258 0.000 2.417 122 E HA -0.107 4.243 4.350 0.000 0.000 0.261 122 E C -0.518 175.912 176.600 -0.283 0.000 1.000 122 E CA 0.400 56.540 56.400 -0.433 0.000 0.919 122 E CB 0.062 29.458 29.700 -0.506 0.000 0.955 122 E HN 0.501 nan 8.360 nan 0.000 0.455 123 Y N 0.129 120.511 120.300 0.137 0.000 4.604 123 Y HA -0.318 4.232 4.550 0.000 0.000 0.230 123 Y C 0.511 176.611 175.900 0.334 0.000 1.066 123 Y CA 0.410 58.689 58.100 0.298 0.000 1.990 123 Y CB -1.821 36.808 38.460 0.281 0.000 1.619 123 Y HN 0.567 nan 8.280 nan 0.000 0.649 124 A N -0.672 122.232 122.820 0.139 0.000 2.524 124 A HA 0.277 4.597 4.320 0.000 0.000 0.267 124 A C 1.292 178.823 177.584 -0.088 0.000 0.881 124 A CA -0.041 51.963 52.037 -0.055 0.000 1.077 124 A CB 0.213 18.973 19.000 -0.401 0.000 1.220 124 A HN 0.386 nan 8.150 nan 0.000 0.488 125 E N 0.318 120.491 120.200 -0.044 0.000 2.208 125 E HA -0.039 4.311 4.350 0.000 0.000 0.193 125 E C 0.175 176.750 176.600 -0.042 0.000 0.988 125 E CA 0.252 56.624 56.400 -0.046 0.000 0.828 125 E CB -0.315 29.365 29.700 -0.033 0.000 0.763 125 E HN 0.681 nan 8.360 nan 0.000 0.478 126 L N 2.464 123.649 121.223 -0.064 0.000 2.485 126 L HA 0.029 4.369 4.340 0.000 0.000 0.275 126 L C 1.059 177.892 176.870 -0.061 0.000 1.207 126 L CA 0.057 54.852 54.840 -0.074 0.000 0.855 126 L CB 0.220 42.202 42.059 -0.129 0.000 1.114 126 L HN -0.075 nan 8.230 nan 0.000 0.485 127 E N 2.517 122.673 120.200 -0.073 0.000 2.369 127 E HA -0.058 4.292 4.350 0.000 0.000 0.255 127 E C 0.854 177.378 176.600 -0.127 0.000 1.172 127 E CA -0.196 56.158 56.400 -0.078 0.000 0.932 127 E CB 0.682 30.315 29.700 -0.111 0.000 1.040 127 E HN 0.694 nan 8.360 nan 0.000 0.454 128 W N 1.288 122.543 121.300 -0.076 0.000 2.305 128 W HA -0.138 4.522 4.660 0.000 0.000 0.308 128 W C -1.268 175.221 176.519 -0.050 0.000 1.226 128 W CA 1.156 58.460 57.345 -0.068 0.000 1.253 128 W CB -2.206 27.210 29.460 -0.074 0.000 1.146 128 W HN 0.394 nan 8.180 nan 0.000 0.507 129 P HA -0.133 nan 4.420 nan 0.000 0.218 129 P C 1.926 179.072 177.300 -0.258 0.000 1.149 129 P CA 2.016 64.723 63.100 -0.655 0.000 0.817 129 P CB -0.340 30.798 31.700 -0.937 0.000 0.785 130 I N -0.432 119.990 120.570 -0.247 0.000 2.315 130 I HA -0.190 3.980 4.170 0.000 0.000 0.248 130 I C 1.742 177.835 176.117 -0.040 0.000 1.117 130 I CA 1.346 62.556 61.300 -0.149 0.000 1.404 130 I CB -0.660 37.231 38.000 -0.182 0.000 1.071 130 I HN -0.090 nan 8.210 nan 0.000 0.419 131 D N 1.115 121.532 120.400 0.028 0.000 2.144 131 D HA -0.141 4.499 4.640 0.000 0.000 0.199 131 D C 2.257 178.707 176.300 0.249 0.000 0.984 131 D CA 1.382 55.493 54.000 0.185 0.000 0.834 131 D CB -0.166 40.696 40.800 0.104 0.000 0.955 131 D HN 0.356 nan 8.370 nan 0.000 0.465 132 I N 0.503 121.180 120.570 0.178 0.000 2.179 132 I HA -0.250 3.921 4.170 0.000 0.000 0.242 132 I C 2.425 178.648 176.117 0.176 0.000 1.088 132 I CA 0.542 61.956 61.300 0.190 0.000 1.357 132 I CB -0.193 37.922 38.000 0.192 0.000 1.051 132 I HN -0.013 nan 8.210 nan 0.000 0.409 133 L N 1.017 122.308 121.223 0.113 0.000 2.012 133 L HA -0.204 4.136 4.340 0.000 0.000 0.210 133 L C 2.383 179.349 176.870 0.160 0.000 1.073 133 L CA 1.878 56.786 54.840 0.115 0.000 0.748 133 L CB -0.448 41.628 42.059 0.027 0.000 0.891 133 L HN 0.108 nan 8.230 nan 0.000 0.431 134 I N -0.718 119.914 120.570 0.102 0.000 2.118 134 I HA -0.403 3.767 4.170 0.000 0.000 0.241 134 I C 2.271 178.530 176.117 0.237 0.000 1.070 134 I CA 2.083 63.446 61.300 0.106 0.000 1.327 134 I CB -0.872 37.014 38.000 -0.191 0.000 1.034 134 I HN 0.344 nan 8.210 nan 0.000 0.405 135 T N 0.965 115.670 114.554 0.252 0.000 2.699 135 T HA -0.184 4.166 4.350 0.000 0.000 0.268 135 T C 1.883 176.804 174.700 0.369 0.000 1.036 135 T CA 1.582 63.883 62.100 0.335 0.000 1.147 135 T CB -0.403 68.665 68.868 0.333 0.000 0.862 135 T HN 0.257 nan 8.240 nan 0.000 0.446 136 I N 0.686 121.459 120.570 0.338 0.000 2.179 136 I HA -0.150 4.020 4.170 0.000 0.000 0.242 136 I C 2.511 178.929 176.117 0.502 0.000 1.088 136 I CA 0.935 62.458 61.300 0.371 0.000 1.357 136 I CB -0.414 37.794 38.000 0.347 0.000 1.051 136 I HN 0.079 nan 8.210 nan 0.000 0.409 137 V N -0.019 120.193 119.914 0.497 0.000 2.343 137 V HA -0.316 3.804 4.120 0.000 0.000 0.247 137 V C 2.134 178.566 176.094 0.564 0.000 1.051 137 V CA 1.806 64.401 62.300 0.491 0.000 1.036 137 V CB -0.731 31.329 31.823 0.395 0.000 0.654 137 V HN 0.593 nan 8.190 nan 0.000 0.451 138 W N 0.283 121.803 121.300 0.366 0.000 2.355 138 W HA -0.170 4.490 4.660 0.000 0.000 0.309 138 W C 2.425 179.132 176.519 0.315 0.000 1.206 138 W CA 1.977 59.526 57.345 0.339 0.000 1.284 138 W CB -0.173 29.422 29.460 0.225 0.000 1.145 138 W HN 0.141 nan 8.180 nan 0.000 0.502 139 V N 1.295 121.474 119.914 0.441 0.000 2.324 139 V HA -0.340 3.780 4.120 0.000 0.000 0.250 139 V C 2.575 178.828 176.094 0.265 0.000 1.060 139 V CA 2.346 64.824 62.300 0.296 0.000 1.042 139 V CB -1.535 30.448 31.823 0.265 0.000 0.650 139 V HN 0.246 nan 8.190 nan 0.000 0.450 140 A N -0.920 122.113 122.820 0.354 0.000 1.877 140 A HA -0.285 4.035 4.320 0.000 0.000 0.216 140 A C 2.186 179.998 177.584 0.380 0.000 1.186 140 A CA 2.199 54.466 52.037 0.383 0.000 0.620 140 A CB -0.814 18.544 19.000 0.596 0.000 0.822 140 A HN 0.638 nan 8.150 nan 0.000 0.443 141 Y N 0.857 121.270 120.300 0.188 0.000 2.145 141 Y HA -0.118 4.432 4.550 0.000 0.000 0.286 141 Y C 2.664 178.585 175.900 0.036 0.000 1.145 141 Y CA 1.071 59.219 58.100 0.080 0.000 1.148 141 Y CB -0.958 37.347 38.460 -0.259 0.000 0.981 141 Y HN 0.317 nan 8.280 nan 0.000 0.507 142 A N -0.271 122.448 122.820 -0.168 0.000 1.892 142 A HA -0.216 4.104 4.320 0.000 0.000 0.218 142 A C 2.445 180.165 177.584 0.227 0.000 1.188 142 A CA 2.601 54.613 52.037 -0.042 0.000 0.631 142 A CB -1.444 17.565 19.000 0.015 0.000 0.822 142 A HN 0.342 nan 8.150 nan 0.000 0.447 143 V N -0.453 119.594 119.914 0.222 0.000 2.287 143 V HA -0.247 3.873 4.120 0.000 0.000 0.248 143 V C 2.582 178.915 176.094 0.399 0.000 1.053 143 V CA 2.036 64.514 62.300 0.297 0.000 1.027 143 V CB -0.805 31.188 31.823 0.282 0.000 0.646 143 V HN 0.388 nan 8.190 nan 0.000 0.447 144 V N -0.740 119.381 119.914 0.344 0.000 2.343 144 V HA -0.268 3.852 4.120 0.000 0.000 0.247 144 V C 2.083 178.349 176.094 0.287 0.000 1.051 144 V CA 2.539 65.037 62.300 0.329 0.000 1.036 144 V CB -0.677 31.320 31.823 0.290 0.000 0.654 144 V HN 0.573 nan 8.190 nan 0.000 0.451 145 F N 0.153 120.134 119.950 0.052 0.000 2.074 145 F HA -0.105 4.422 4.527 0.000 0.000 0.293 145 F C 2.080 177.800 175.800 -0.133 0.000 1.116 145 F CA 1.655 59.579 58.000 -0.125 0.000 1.212 145 F CB -0.424 38.293 39.000 -0.471 0.000 0.998 145 F HN 0.101 nan 8.300 nan 0.000 0.471 146 F N 0.788 120.794 119.950 0.093 0.000 2.269 146 F HA -0.032 4.495 4.527 0.000 0.000 0.301 146 F C 2.582 178.292 175.800 -0.151 0.000 1.082 146 F CA 1.282 59.269 58.000 -0.021 0.000 1.360 146 F CB -1.183 37.855 39.000 0.062 0.000 1.041 146 F HN 0.113 nan 8.300 nan 0.000 0.512 147 G N -0.896 107.925 108.800 0.034 0.000 2.402 147 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 147 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 147 G C 1.725 176.460 174.900 -0.275 0.000 1.162 147 G CA 1.402 46.286 45.100 -0.360 0.000 0.777 147 G HN 0.276 nan 8.290 nan 0.000 0.539 148 T N 1.350 115.846 114.554 -0.096 0.000 2.746 148 T HA -0.014 4.336 4.350 0.000 0.000 0.267 148 T C 2.395 176.961 174.700 -0.223 0.000 1.039 148 T CA 0.736 62.760 62.100 -0.126 0.000 1.142 148 T CB -0.186 68.581 68.868 -0.168 0.000 0.866 148 T HN 0.120 nan 8.240 nan 0.000 0.444 149 L N 0.786 121.804 121.223 -0.341 0.000 1.989 149 L HA -0.143 4.197 4.340 0.000 0.000 0.211 149 L C 3.025 179.807 176.870 -0.147 0.000 1.071 149 L CA 1.436 56.115 54.840 -0.269 0.000 0.749 149 L CB -0.692 41.178 42.059 -0.315 0.000 0.890 149 L HN 0.260 nan 8.230 nan 0.000 0.431 150 A N 0.601 123.337 122.820 -0.140 0.000 2.076 150 A HA -0.209 4.111 4.320 0.000 0.000 0.220 150 A C 1.721 179.224 177.584 -0.134 0.000 1.160 150 A CA 1.891 53.854 52.037 -0.125 0.000 0.653 150 A CB -0.451 18.449 19.000 -0.167 0.000 0.801 150 A HN 0.593 nan 8.150 nan 0.000 0.455 151 K N 0.162 120.476 120.400 -0.143 0.000 2.726 151 K HA 0.222 4.542 4.320 0.000 0.000 0.209 151 K C 0.341 176.902 176.600 -0.065 0.000 1.082 151 K CA -0.718 55.511 56.287 -0.097 0.000 1.081 151 K CB 0.189 32.637 32.500 -0.087 0.000 0.830 151 K HN 0.537 nan 8.250 nan 0.000 0.470 152 R N 0.632 121.090 120.500 -0.069 0.000 2.747 152 R HA 0.197 4.537 4.340 0.000 0.000 0.278 152 R C 0.049 176.326 176.300 -0.038 0.000 1.153 152 R CA -0.454 55.615 56.100 -0.053 0.000 1.206 152 R CB 0.411 30.679 30.300 -0.054 0.000 1.161 152 R HN 0.024 nan 8.270 nan 0.000 0.589 153 K N 0.022 120.405 120.400 -0.029 0.000 2.225 153 K HA 0.098 4.418 4.320 0.000 0.000 0.204 153 K C 0.534 177.117 176.600 -0.029 0.000 1.047 153 K CA 0.613 56.883 56.287 -0.028 0.000 0.970 153 K CB 0.218 32.703 32.500 -0.024 0.000 0.939 153 K HN 0.494 nan 8.250 nan 0.000 0.472 154 V N 1.821 121.723 119.914 -0.020 0.000 2.963 154 V HA 0.049 4.169 4.120 0.000 0.000 0.306 154 V C 1.192 177.259 176.094 -0.044 0.000 1.077 154 V CA -0.185 62.104 62.300 -0.018 0.000 1.124 154 V CB 0.846 32.679 31.823 0.018 0.000 0.987 154 V HN 0.173 nan 8.190 nan 0.000 0.487 155 K N 0.029 120.362 120.400 -0.111 0.000 2.057 155 K HA -0.027 4.293 4.320 0.000 0.000 0.206 155 K C 0.718 177.202 176.600 -0.194 0.000 1.050 155 K CA 0.997 57.160 56.287 -0.208 0.000 0.935 155 K CB -0.103 32.180 32.500 -0.362 0.000 0.715 155 K HN 0.766 nan 8.250 nan 0.000 0.439 156 H N -0.075 119.027 119.070 0.053 0.000 2.551 156 H HA 0.205 4.761 4.556 0.000 0.000 0.358 156 H C -0.082 175.310 175.328 0.106 0.000 1.151 156 H CA -0.083 56.023 56.048 0.096 0.000 1.374 156 H CB 0.864 30.678 29.762 0.087 0.000 1.473 156 H HN -0.006 nan 8.280 nan 0.000 0.574 157 I N 2.474 123.228 120.570 0.308 0.000 2.339 157 I HA 0.053 4.223 4.170 0.000 0.000 0.290 157 I C 0.150 176.370 176.117 0.172 0.000 0.994 157 I CA -0.628 60.811 61.300 0.232 0.000 1.191 157 I CB 0.852 39.014 38.000 0.271 0.000 1.343 157 I HN 0.477 nan 8.210 nan 0.000 0.458 158 Y N 6.127 126.373 120.300 -0.090 0.000 2.702 158 Y HA -0.049 4.501 4.550 0.000 0.000 0.336 158 Y C 1.525 176.996 175.900 -0.715 0.000 1.235 158 Y CA -0.001 57.932 58.100 -0.279 0.000 1.492 158 Y CB 1.235 39.604 38.460 -0.152 0.000 1.308 158 Y HN 0.520 nan 8.280 nan 0.000 0.589 159 V N 4.874 123.730 119.914 -1.764 0.000 2.688 159 V HA -0.166 3.954 4.120 0.000 0.000 0.256 159 V C 1.798 177.034 176.094 -1.430 0.000 1.084 159 V CA 2.284 63.111 62.300 -2.456 0.000 1.103 159 V CB -1.257 29.273 31.823 -2.156 0.000 0.688 159 V HN 1.059 nan 8.190 nan 0.000 0.480 160 G N 0.667 108.668 108.800 -1.332 0.000 2.442 160 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 160 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 160 G C 1.300 176.208 174.900 0.013 0.000 1.141 160 G CA 1.033 45.904 45.100 -0.380 0.000 0.763 160 G HN 0.602 nan 8.290 nan 0.000 0.554 161 N N -0.329 118.376 118.700 0.009 0.000 2.463 161 N HA -0.006 4.734 4.740 0.000 0.000 0.181 161 N C 1.609 177.266 175.510 0.244 0.000 1.078 161 N CA 0.318 53.552 53.050 0.306 0.000 0.902 161 N CB -0.158 38.465 38.487 0.226 0.000 0.970 161 N HN 0.456 nan 8.380 nan 0.000 0.451 162 W N 0.541 121.693 121.300 -0.247 0.000 2.358 162 W HA 0.054 4.714 4.660 -0.000 0.000 0.303 162 W C 1.667 177.952 176.519 -0.389 0.000 1.208 162 W CA 0.190 57.160 57.345 -0.626 0.000 1.274 162 W CB -1.388 27.121 29.460 -1.585 0.000 1.138 162 W HN 0.027 nan 8.180 nan 0.000 0.515 163 F N -0.924 119.051 119.950 0.042 0.000 2.084 163 F HA -0.155 4.372 4.527 0.000 0.000 0.296 163 F C 2.275 178.127 175.800 0.087 0.000 1.111 163 F CA 1.271 59.350 58.000 0.132 0.000 1.224 163 F CB -1.404 37.577 39.000 -0.033 0.000 0.991 163 F HN -0.302 nan 8.300 nan 0.000 0.471 164 F N 0.608 120.688 119.950 0.216 0.000 2.069 164 F HA -0.142 4.385 4.527 0.000 0.000 0.298 164 F C 2.652 178.347 175.800 -0.174 0.000 1.113 164 F CA 1.428 59.420 58.000 -0.012 0.000 1.214 164 F CB -1.490 37.373 39.000 -0.229 0.000 0.978 164 F HN -0.021 nan 8.300 nan 0.000 0.474 165 G N -0.487 108.343 108.800 0.050 0.000 2.529 165 G HA2 -0.310 3.650 3.960 0.000 0.000 0.219 165 G HA3 -0.310 3.650 3.960 0.000 0.000 0.219 165 G C 1.901 176.953 174.900 0.253 0.000 1.177 165 G CA 1.485 46.591 45.100 0.011 0.000 0.773 165 G HN 0.535 nan 8.290 nan 0.000 0.573 166 A N 0.776 123.779 122.820 0.304 0.000 1.851 166 A HA 0.010 4.330 4.320 0.000 0.000 0.216 166 A C 2.234 180.003 177.584 0.309 0.000 1.195 166 A CA 1.985 54.213 52.037 0.319 0.000 0.622 166 A CB -0.813 18.414 19.000 0.377 0.000 0.831 166 A HN 0.742 nan 8.150 nan 0.000 0.444 167 F N 0.880 120.989 119.950 0.265 0.000 2.087 167 F HA -0.259 4.268 4.527 0.000 0.000 0.299 167 F C 1.819 177.757 175.800 0.229 0.000 1.100 167 F CA 2.027 60.181 58.000 0.257 0.000 1.226 167 F CB -0.483 38.602 39.000 0.143 0.000 0.983 167 F HN 0.208 nan 8.300 nan 0.000 0.479 168 I N 0.143 120.443 120.570 -0.450 0.000 2.142 168 I HA -0.309 3.861 4.170 0.000 0.000 0.240 168 I C 2.499 178.665 176.117 0.082 0.000 1.078 168 I CA 1.521 62.568 61.300 -0.421 0.000 1.343 168 I CB -0.606 37.062 38.000 -0.553 0.000 1.046 168 I HN 0.227 nan 8.210 nan 0.000 0.405 169 L N -0.229 121.059 121.223 0.108 0.000 1.994 169 L HA -0.235 4.105 4.340 0.000 0.000 0.208 169 L C 2.770 179.657 176.870 0.029 0.000 1.071 169 L CA 2.086 56.977 54.840 0.085 0.000 0.745 169 L CB -0.872 41.223 42.059 0.060 0.000 0.892 169 L HN 0.318 nan 8.230 nan 0.000 0.431 170 T N -1.212 113.295 114.554 -0.079 0.000 2.867 170 T HA -0.120 4.230 4.350 0.000 0.000 0.268 170 T C 1.859 176.421 174.700 -0.230 0.000 1.057 170 T CA 1.160 63.099 62.100 -0.268 0.000 1.136 170 T CB -0.061 68.343 68.868 -0.773 0.000 0.874 170 T HN 0.064 nan 8.240 nan 0.000 0.466 171 V N 1.701 121.537 119.914 -0.129 0.000 2.343 171 V HA -0.082 4.038 4.120 0.000 0.000 0.247 171 V C 3.058 179.050 176.094 -0.170 0.000 1.051 171 V CA 1.794 64.013 62.300 -0.135 0.000 1.036 171 V CB -1.342 30.403 31.823 -0.130 0.000 0.654 171 V HN 0.657 nan 8.190 nan 0.000 0.451 172 A N 0.104 122.888 122.820 -0.060 0.000 1.865 172 A HA -0.223 4.097 4.320 0.000 0.000 0.217 172 A C 2.143 179.798 177.584 0.118 0.000 1.191 172 A CA 2.243 54.320 52.037 0.066 0.000 0.623 172 A CB -0.587 18.589 19.000 0.293 0.000 0.826 172 A HN 0.511 nan 8.150 nan 0.000 0.444 173 I N -0.897 119.731 120.570 0.096 0.000 2.099 173 I HA -0.265 3.905 4.170 0.000 0.000 0.239 173 I C 2.338 178.578 176.117 0.205 0.000 1.066 173 I CA 1.065 62.455 61.300 0.150 0.000 1.324 173 I CB -0.543 37.545 38.000 0.148 0.000 1.037 173 I HN 0.215 nan 8.210 nan 0.000 0.401 174 L N 0.532 121.790 121.223 0.057 0.000 2.010 174 L HA -0.327 4.013 4.340 0.000 0.000 0.219 174 L C 2.688 179.721 176.870 0.272 0.000 1.077 174 L CA 2.284 57.086 54.840 -0.063 0.000 0.773 174 L CB -1.457 40.408 42.059 -0.323 0.000 0.892 174 L HN 0.374 nan 8.230 nan 0.000 0.436 175 H N -1.418 117.735 119.070 0.139 0.000 2.321 175 H HA -0.103 4.453 4.556 0.000 0.000 0.300 175 H C 2.081 177.470 175.328 0.101 0.000 1.087 175 H CA 2.000 58.140 56.048 0.153 0.000 1.319 175 H CB -0.135 29.619 29.762 -0.013 0.000 1.379 175 H HN 0.077 nan 8.280 nan 0.000 0.501 176 V N -0.305 119.629 119.914 0.033 0.000 2.261 176 V HA -0.238 3.882 4.120 0.000 0.000 0.246 176 V C 2.641 178.750 176.094 0.025 0.000 1.047 176 V CA 1.553 63.845 62.300 -0.014 0.000 1.015 176 V CB -0.692 31.194 31.823 0.105 0.000 0.642 176 V HN 0.336 nan 8.190 nan 0.000 0.446 177 V N 0.687 120.700 119.914 0.166 0.000 2.255 177 V HA -0.320 3.800 4.120 0.000 0.000 0.247 177 V C 2.228 178.474 176.094 0.252 0.000 1.051 177 V CA 2.585 65.029 62.300 0.240 0.000 1.018 177 V CB -0.855 31.183 31.823 0.359 0.000 0.641 177 V HN 0.697 nan 8.190 nan 0.000 0.445 178 N N 0.006 118.829 118.700 0.205 0.000 2.515 178 N HA -0.092 4.648 4.740 0.000 0.000 0.185 178 N C 0.754 176.212 175.510 -0.086 0.000 1.109 178 N CA 0.631 53.718 53.050 0.061 0.000 0.903 178 N CB 0.031 38.382 38.487 -0.227 0.000 0.969 178 N HN 0.466 nan 8.380 nan 0.000 0.450 179 N N 0.367 118.982 118.700 -0.142 0.000 2.234 179 N HA 0.183 4.923 4.740 0.000 0.000 0.227 179 N C -0.648 174.798 175.510 -0.107 0.000 1.151 179 N CA -0.095 52.844 53.050 -0.185 0.000 0.865 179 N CB 0.466 38.740 38.487 -0.355 0.000 1.066 179 N HN 0.167 nan 8.380 nan 0.000 0.515 180 L N 2.288 123.473 121.223 -0.062 0.000 2.562 180 L HA 0.091 4.431 4.340 0.000 0.000 0.271 180 L C 0.353 177.112 176.870 -0.184 0.000 1.167 180 L CA 0.467 55.240 54.840 -0.113 0.000 0.917 180 L CB -0.065 41.927 42.059 -0.112 0.000 1.187 180 L HN 0.244 nan 8.230 nan 0.000 0.482 181 E N 4.084 124.192 120.200 -0.153 0.000 2.347 181 E HA 0.377 4.727 4.350 0.000 0.000 0.285 181 E C -1.086 175.409 176.600 -0.174 0.000 0.925 181 E CA -0.851 55.465 56.400 -0.140 0.000 0.779 181 E CB 1.609 31.264 29.700 -0.076 0.000 1.233 181 E HN 0.355 nan 8.360 nan 0.000 0.414 182 I N 3.010 123.490 120.570 -0.150 0.000 2.517 182 I HA 0.157 4.327 4.170 0.000 0.000 0.285 182 I C -2.098 173.857 176.117 -0.269 0.000 1.106 182 I CA -1.749 59.440 61.300 -0.185 0.000 1.402 182 I CB 0.399 38.345 38.000 -0.090 0.000 1.399 182 I HN 0.268 nan 8.210 nan 0.000 0.535 183 P HA 0.107 nan 4.420 nan 0.000 0.280 183 P C 0.397 177.510 177.300 -0.311 0.000 1.244 183 P CA -0.183 62.522 63.100 -0.660 0.000 0.784 183 P CB 1.363 32.227 31.700 -1.393 0.000 0.913 184 V N 1.393 121.204 119.914 -0.171 0.000 2.627 184 V HA 0.079 4.199 4.120 0.000 0.000 0.239 184 V C 1.210 177.301 176.094 -0.005 0.000 1.077 184 V CA 1.791 64.041 62.300 -0.083 0.000 1.103 184 V CB -0.415 31.339 31.823 -0.115 0.000 0.802 184 V HN 0.663 nan 8.190 nan 0.000 0.482 185 T N -3.469 111.131 114.554 0.076 0.000 2.645 185 T HA 0.705 5.055 4.350 0.000 0.000 0.273 185 T C 1.178 176.061 174.700 0.305 0.000 0.960 185 T CA 0.161 62.342 62.100 0.136 0.000 1.051 185 T CB 1.509 70.427 68.868 0.084 0.000 1.366 185 T HN 0.136 nan 8.240 nan 0.000 0.536 186 A N 0.411 123.334 122.820 0.172 0.000 1.873 186 A HA 0.023 4.343 4.320 0.000 0.000 0.218 186 A C 1.768 179.256 177.584 -0.159 0.000 1.193 186 A CA 1.581 53.652 52.037 0.056 0.000 0.629 186 A CB -0.805 18.133 19.000 -0.105 0.000 0.826 186 A HN 0.677 nan 8.150 nan 0.000 0.447 187 M N -0.869 118.635 119.600 -0.160 0.000 2.869 187 M HA 0.333 4.813 4.480 0.000 0.000 0.353 187 M C -0.492 175.823 176.300 0.024 0.000 1.224 187 M CA 0.239 55.374 55.300 -0.274 0.000 0.917 187 M CB 0.402 32.579 32.600 -0.704 0.000 1.322 187 M HN 0.071 nan 8.290 nan 0.000 0.516 188 K N 1.493 121.990 120.400 0.161 0.000 2.581 188 K HA 0.521 4.841 4.320 0.000 0.000 0.249 188 K C -1.058 175.573 176.600 0.053 0.000 0.966 188 K CA 0.152 56.488 56.287 0.080 0.000 0.811 188 K CB 2.285 34.782 32.500 -0.005 0.000 1.223 188 K HN 0.314 nan 8.250 nan 0.000 0.438 189 S N 2.108 117.781 115.700 -0.046 0.000 2.627 189 S HA 0.654 5.124 4.470 0.000 0.000 0.283 189 S C -1.014 173.401 174.600 -0.309 0.000 1.127 189 S CA -0.752 57.355 58.200 -0.155 0.000 0.863 189 S CB 1.281 64.488 63.200 0.013 0.000 1.121 189 S HN 0.414 nan 8.310 nan 0.000 0.479 190 Y N 0.703 120.983 120.300 -0.032 0.000 2.377 190 Y HA 0.579 5.129 4.550 0.000 0.000 0.339 190 Y C 1.026 176.878 175.900 -0.081 0.000 1.011 190 Y CA -0.759 57.317 58.100 -0.041 0.000 1.093 190 Y CB 1.946 40.380 38.460 -0.045 0.000 1.201 190 Y HN 0.844 nan 8.280 nan 0.000 0.455 191 S N 3.044 118.810 115.700 0.109 0.000 2.558 191 S HA -0.035 4.435 4.470 0.000 0.000 0.288 191 S C 1.208 175.721 174.600 -0.144 0.000 1.318 191 S CA -0.383 57.805 58.200 -0.020 0.000 1.056 191 S CB 0.341 63.566 63.200 0.043 0.000 0.853 191 S HN 0.855 nan 8.310 nan 0.000 0.505 192 L N 3.828 124.808 121.223 -0.405 0.000 2.191 192 L HA -0.028 4.312 4.340 0.000 0.000 0.212 192 L C -0.117 176.429 176.870 -0.541 0.000 1.103 192 L CA 1.166 55.655 54.840 -0.586 0.000 0.769 192 L CB -0.134 41.356 42.059 -0.948 0.000 0.908 192 L HN 0.745 nan 8.230 nan 0.000 0.438 193 Y N -1.301 118.992 120.300 -0.012 0.000 2.568 193 Y HA 0.661 5.211 4.550 0.000 0.000 0.327 193 Y C 0.246 176.142 175.900 -0.007 0.000 1.163 193 Y CA -0.810 57.282 58.100 -0.012 0.000 1.219 193 Y CB 0.953 39.404 38.460 -0.014 0.000 1.308 193 Y HN -0.147 nan 8.280 nan 0.000 0.503 194 A N -0.168 122.753 122.820 0.168 0.000 2.593 194 A HA 0.747 5.067 4.320 0.000 0.000 0.290 194 A C 0.278 177.913 177.584 0.085 0.000 1.126 194 A CA -0.356 51.737 52.037 0.093 0.000 0.695 194 A CB 0.636 19.661 19.000 0.041 0.000 1.290 194 A HN 1.467 nan 8.150 nan 0.000 0.414 195 G N 0.159 109.000 108.800 0.068 0.000 2.627 195 G HA2 0.054 4.014 3.960 0.000 0.000 0.312 195 G HA3 0.054 4.014 3.960 0.000 0.000 0.312 195 G C 1.436 176.378 174.900 0.070 0.000 1.299 195 G CA 2.025 47.164 45.100 0.065 0.000 0.989 195 G HN 2.325 nan 8.290 nan 0.000 0.547 196 A N -1.928 120.927 122.820 0.059 0.000 1.940 196 A HA 0.020 4.340 4.320 0.000 0.000 0.219 196 A C 2.629 180.231 177.584 0.030 0.000 1.176 196 A CA 3.348 55.413 52.037 0.047 0.000 0.631 196 A CB -1.089 17.929 19.000 0.031 0.000 0.814 196 A HN 1.281 nan 8.150 nan 0.000 0.446 197 T N -0.386 114.186 114.554 0.030 0.000 2.737 197 T HA -0.134 4.216 4.350 0.000 0.000 0.265 197 T C 1.717 176.392 174.700 -0.042 0.000 1.038 197 T CA 1.489 63.584 62.100 -0.007 0.000 1.144 197 T CB -0.422 68.466 68.868 0.032 0.000 0.866 197 T HN 0.545 nan 8.240 nan 0.000 0.434 198 D N 1.247 121.678 120.400 0.052 0.000 2.123 198 D HA -0.042 4.598 4.640 0.000 0.000 0.196 198 D C 2.262 178.572 176.300 0.016 0.000 0.992 198 D CA 1.241 55.282 54.000 0.068 0.000 0.833 198 D CB -0.398 40.487 40.800 0.142 0.000 0.954 198 D HN 0.346 nan 8.370 nan 0.000 0.455 199 A N 0.157 123.015 122.820 0.063 0.000 1.908 199 A HA -0.180 4.140 4.320 0.000 0.000 0.218 199 A C 2.273 179.944 177.584 0.145 0.000 1.181 199 A CA 1.446 53.564 52.037 0.136 0.000 0.627 199 A CB -0.495 18.616 19.000 0.185 0.000 0.818 199 A HN 0.242 nan 8.150 nan 0.000 0.445 200 M N -0.506 119.130 119.600 0.061 0.000 2.123 200 M HA -0.088 4.392 4.480 0.000 0.000 0.263 200 M C 2.221 178.554 176.300 0.055 0.000 1.069 200 M CA 1.353 56.685 55.300 0.054 0.000 1.133 200 M CB -0.794 31.779 32.600 -0.045 0.000 1.356 200 M HN 0.271 nan 8.290 nan 0.000 0.415 201 V N 0.659 120.513 119.914 -0.099 0.000 2.380 201 V HA -0.295 3.825 4.120 0.000 0.000 0.251 201 V C 2.378 178.545 176.094 0.122 0.000 1.063 201 V CA 2.083 64.323 62.300 -0.099 0.000 1.055 201 V CB -1.002 30.474 31.823 -0.577 0.000 0.657 201 V HN 0.493 nan 8.190 nan 0.000 0.455 202 Q N -0.432 119.344 119.800 -0.041 0.000 2.050 202 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 202 Q C 1.806 177.629 176.000 -0.294 0.000 0.980 202 Q CA 2.170 57.832 55.803 -0.235 0.000 0.840 202 Q CB -0.455 28.015 28.738 -0.447 0.000 0.898 202 Q HN 0.735 nan 8.270 nan 0.000 0.424 203 W N -1.372 120.010 121.300 0.137 0.000 3.077 203 W HA 0.127 4.787 4.660 0.000 0.000 0.266 203 W C 1.512 178.098 176.519 0.112 0.000 1.300 203 W CA -0.344 57.013 57.345 0.019 0.000 1.586 203 W CB -0.259 29.154 29.460 -0.079 0.000 1.103 203 W HN 0.333 nan 8.180 nan 0.000 0.652 204 W N 0.112 121.518 121.300 0.178 0.000 2.379 204 W HA -0.278 4.383 4.660 -0.000 0.000 0.307 204 W C 2.387 179.019 176.519 0.189 0.000 1.200 204 W CA 2.054 59.488 57.345 0.148 0.000 1.297 204 W CB -1.161 28.328 29.460 0.048 0.000 1.140 204 W HN 0.081 nan 8.180 nan 0.000 0.507 205 Y N 1.022 121.248 120.300 -0.124 0.000 2.163 205 Y HA -0.026 4.524 4.550 0.000 0.000 0.288 205 Y C 2.479 178.274 175.900 -0.175 0.000 1.136 205 Y CA 2.772 60.651 58.100 -0.369 0.000 1.147 205 Y CB -0.960 37.404 38.460 -0.160 0.000 0.987 205 Y HN -0.023 nan 8.280 nan 0.000 0.509 206 G N -1.014 107.831 108.800 0.075 0.000 2.476 206 G HA2 -0.407 3.553 3.960 0.000 0.000 0.218 206 G HA3 -0.407 3.553 3.960 0.000 0.000 0.218 206 G C 1.436 176.421 174.900 0.141 0.000 1.164 206 G CA 1.472 46.626 45.100 0.090 0.000 0.768 206 G HN 0.626 nan 8.290 nan 0.000 0.560 207 H N 0.784 119.966 119.070 0.186 0.000 2.333 207 H HA 0.073 4.629 4.556 0.000 0.000 0.302 207 H C 2.349 177.745 175.328 0.113 0.000 1.075 207 H CA 1.504 57.733 56.048 0.301 0.000 1.348 207 H CB -0.102 29.923 29.762 0.438 0.000 1.393 207 H HN 0.203 nan 8.280 nan 0.000 0.509 208 N N 0.625 119.359 118.700 0.057 0.000 2.520 208 N HA -0.077 4.663 4.740 0.000 0.000 0.185 208 N C 1.745 177.201 175.510 -0.090 0.000 1.068 208 N CA 0.791 53.855 53.050 0.024 0.000 0.911 208 N CB -0.187 38.276 38.487 -0.039 0.000 0.961 208 N HN 0.530 nan 8.380 nan 0.000 0.446 209 A N 0.928 123.554 122.820 -0.323 0.000 1.845 209 A HA -0.119 4.201 4.320 0.000 0.000 0.215 209 A C 2.406 179.901 177.584 -0.149 0.000 1.195 209 A CA 1.943 53.793 52.037 -0.312 0.000 0.616 209 A CB -0.909 17.773 19.000 -0.530 0.000 0.832 209 A HN 0.200 nan 8.150 nan 0.000 0.443 210 V N -1.463 118.295 119.914 -0.259 0.000 2.667 210 V HA 0.091 4.211 4.120 0.000 0.000 0.252 210 V C 2.153 178.088 176.094 -0.265 0.000 1.065 210 V CA 2.015 64.190 62.300 -0.207 0.000 1.083 210 V CB -1.222 30.480 31.823 -0.201 0.000 0.692 210 V HN 0.428 nan 8.190 nan 0.000 0.468 211 G N -0.484 107.966 108.800 -0.584 0.000 2.408 211 G HA2 -0.125 3.835 3.960 0.000 0.000 0.217 211 G HA3 -0.125 3.835 3.960 0.000 0.000 0.217 211 G C 1.263 175.675 174.900 -0.814 0.000 1.150 211 G CA 1.359 45.709 45.100 -1.250 0.000 0.776 211 G HN 0.589 nan 8.290 nan 0.000 0.542 212 F N -2.042 117.812 119.950 -0.160 0.000 2.514 212 F HA 0.389 4.916 4.527 0.000 0.000 0.281 212 F C 1.981 177.945 175.800 0.274 0.000 1.060 212 F CA -0.603 57.455 58.000 0.097 0.000 1.397 212 F CB -0.214 38.864 39.000 0.129 0.000 1.129 212 F HN 0.063 nan 8.300 nan 0.000 0.620 213 F N 0.678 120.815 119.950 0.312 0.000 2.098 213 F HA -0.061 4.466 4.527 0.000 0.000 0.294 213 F C 1.775 177.632 175.800 0.096 0.000 1.107 213 F CA 1.741 59.886 58.000 0.243 0.000 1.234 213 F CB -0.085 39.022 39.000 0.178 0.000 1.002 213 F HN -0.211 nan 8.300 nan 0.000 0.472 214 L N -1.598 119.822 121.223 0.327 0.000 2.554 214 L HA 0.058 4.398 4.340 0.000 0.000 0.225 214 L C 1.483 178.550 176.870 0.328 0.000 1.104 214 L CA 0.457 55.435 54.840 0.231 0.000 0.866 214 L CB -0.318 41.743 42.059 0.003 0.000 1.047 214 L HN 0.126 nan 8.230 nan 0.000 0.468 215 T N -0.563 114.154 114.554 0.273 0.000 3.391 215 T HA 0.183 4.533 4.350 0.000 0.000 0.233 215 T C 1.959 176.813 174.700 0.256 0.000 0.960 215 T CA 0.602 62.931 62.100 0.382 0.000 1.342 215 T CB -0.111 68.924 68.868 0.278 0.000 1.124 215 T HN 0.184 nan 8.240 nan 0.000 0.396 216 A N 1.688 124.578 122.820 0.116 0.000 1.869 216 A HA -0.021 4.299 4.320 0.000 0.000 0.218 216 A C 2.521 180.135 177.584 0.051 0.000 1.203 216 A CA 2.449 54.629 52.037 0.238 0.000 0.638 216 A CB -1.644 17.528 19.000 0.286 0.000 0.831 216 A HN 0.541 nan 8.150 nan 0.000 0.450 217 G N -1.821 106.856 108.800 -0.204 0.000 2.469 217 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 217 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 217 G C 1.338 175.726 174.900 -0.854 0.000 1.136 217 G CA 1.232 45.804 45.100 -0.880 0.000 0.759 217 G HN 0.457 nan 8.290 nan 0.000 0.562 218 F N 0.138 119.823 119.950 -0.443 0.000 2.512 218 F HA 0.286 4.813 4.527 0.000 0.000 0.296 218 F C 2.479 178.155 175.800 -0.207 0.000 1.110 218 F CA 0.180 57.948 58.000 -0.386 0.000 1.446 218 F CB 0.036 38.726 39.000 -0.516 0.000 1.092 218 F HN 0.017 nan 8.300 nan 0.000 0.554 219 L N -0.690 120.538 121.223 0.007 0.000 2.093 219 L HA -0.109 4.231 4.340 0.000 0.000 0.208 219 L C 2.768 179.485 176.870 -0.255 0.000 1.085 219 L CA 1.206 55.935 54.840 -0.184 0.000 0.755 219 L CB -1.353 40.363 42.059 -0.572 0.000 0.904 219 L HN 0.238 nan 8.230 nan 0.000 0.435 220 G N 0.871 109.389 108.800 -0.469 0.000 2.513 220 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 220 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 220 G C 1.536 176.278 174.900 -0.264 0.000 1.160 220 G CA 1.040 45.704 45.100 -0.726 0.000 0.767 220 G HN 0.291 nan 8.290 nan 0.000 0.571 221 I N 0.341 120.776 120.570 -0.225 0.000 2.127 221 I HA -0.257 3.913 4.170 0.000 0.000 0.241 221 I C 2.835 179.145 176.117 0.322 0.000 1.075 221 I CA 1.662 63.102 61.300 0.233 0.000 1.334 221 I CB -0.437 37.555 38.000 -0.012 0.000 1.040 221 I HN 0.220 nan 8.210 nan 0.000 0.405 222 M N 0.257 119.929 119.600 0.121 0.000 2.106 222 M HA -0.286 4.194 4.480 0.000 0.000 0.259 222 M C 2.393 178.717 176.300 0.039 0.000 1.068 222 M CA 2.186 57.530 55.300 0.074 0.000 1.100 222 M CB -0.422 32.164 32.600 -0.022 0.000 1.351 222 M HN 0.176 nan 8.290 nan 0.000 0.404 223 Y N -1.372 118.962 120.300 0.056 0.000 2.352 223 Y HA -0.269 4.281 4.550 0.000 0.000 0.292 223 Y C 2.200 178.264 175.900 0.273 0.000 1.136 223 Y CA 1.653 59.804 58.100 0.085 0.000 1.227 223 Y CB -0.216 38.189 38.460 -0.091 0.000 0.991 223 Y HN 0.363 nan 8.280 nan 0.000 0.545 224 Y N -1.236 119.240 120.300 0.294 0.000 2.230 224 Y HA -0.118 4.432 4.550 0.000 0.000 0.294 224 Y C 1.678 177.477 175.900 -0.169 0.000 1.120 224 Y CA 1.212 59.339 58.100 0.046 0.000 1.129 224 Y CB -0.733 37.645 38.460 -0.137 0.000 1.040 224 Y HN -0.018 nan 8.280 nan 0.000 0.519 225 F N -0.763 119.193 119.950 0.010 0.000 2.206 225 F HA -0.143 4.384 4.527 0.000 0.000 0.298 225 F C 2.362 178.047 175.800 -0.193 0.000 1.090 225 F CA 1.336 59.223 58.000 -0.189 0.000 1.323 225 F CB -0.941 38.022 39.000 -0.061 0.000 1.028 225 F HN -0.124 nan 8.300 nan 0.000 0.492 226 V N 1.002 120.943 119.914 0.045 0.000 2.255 226 V HA -0.249 3.871 4.120 0.000 0.000 0.247 226 V C -0.344 175.694 176.094 -0.094 0.000 1.051 226 V CA 2.266 64.548 62.300 -0.030 0.000 1.018 226 V CB -1.733 30.054 31.823 -0.060 0.000 0.641 226 V HN 0.188 nan 8.190 nan 0.000 0.445 227 P HA -0.106 nan 4.420 nan 0.000 0.217 227 P C 1.563 178.743 177.300 -0.199 0.000 1.151 227 P CA 1.199 64.222 63.100 -0.130 0.000 0.828 227 P CB 0.018 31.665 31.700 -0.089 0.000 0.788 228 K N -0.156 120.031 120.400 -0.355 0.000 2.097 228 K HA -0.162 4.158 4.320 0.000 0.000 0.205 228 K C 2.293 178.821 176.600 -0.120 0.000 1.050 228 K CA 1.369 57.427 56.287 -0.383 0.000 0.938 228 K CB -0.635 31.332 32.500 -0.889 0.000 0.718 228 K HN -0.116 nan 8.250 nan 0.000 0.442 229 Q N -0.324 119.432 119.800 -0.073 0.000 2.062 229 Q HA 0.130 4.470 4.340 0.000 0.000 0.196 229 Q C 1.781 177.775 176.000 -0.010 0.000 0.967 229 Q CA 1.840 57.686 55.803 0.072 0.000 0.832 229 Q CB -0.382 28.429 28.738 0.122 0.000 0.899 229 Q HN 0.304 nan 8.270 nan 0.000 0.442 230 A N 0.109 122.887 122.820 -0.070 0.000 2.015 230 A HA -0.084 4.236 4.320 0.000 0.000 0.219 230 A C 0.340 177.870 177.584 -0.091 0.000 1.163 230 A CA 1.091 53.061 52.037 -0.111 0.000 0.646 230 A CB -0.339 18.568 19.000 -0.156 0.000 0.806 230 A HN 0.557 nan 8.150 nan 0.000 0.448 231 E N -1.210 118.944 120.200 -0.077 0.000 2.320 231 E HA -0.175 4.175 4.350 0.000 0.000 0.234 231 E C -0.370 176.197 176.600 -0.055 0.000 1.183 231 E CA 0.425 56.789 56.400 -0.061 0.000 0.713 231 E CB -0.772 28.907 29.700 -0.034 0.000 1.226 231 E HN 0.572 nan 8.360 nan 0.000 0.382 232 R N -0.216 120.245 120.500 -0.064 0.000 2.919 232 R HA 0.572 4.912 4.340 0.000 0.000 0.260 232 R C -2.377 173.907 176.300 -0.027 0.000 1.067 232 R CA -1.803 54.272 56.100 -0.042 0.000 1.003 232 R CB 0.679 30.946 30.300 -0.055 0.000 1.192 232 R HN -0.057 nan 8.270 nan 0.000 0.488 233 P HA 0.217 nan 4.420 nan 0.000 0.282 233 P C -0.366 176.978 177.300 0.073 0.000 1.259 233 P CA -0.579 62.537 63.100 0.026 0.000 0.826 233 P CB 0.717 32.436 31.700 0.031 0.000 1.064 234 V N 2.979 122.960 119.914 0.113 0.000 2.403 234 V HA -0.064 4.056 4.120 0.000 0.000 0.265 234 V C 0.619 176.834 176.094 0.201 0.000 1.034 234 V CA -0.269 62.141 62.300 0.183 0.000 1.036 234 V CB -1.608 30.387 31.823 0.286 0.000 1.032 234 V HN 0.462 nan 8.190 nan 0.000 0.478 235 Y N 5.297 125.646 120.300 0.082 0.000 2.865 235 Y HA 0.069 4.619 4.550 0.000 0.000 0.338 235 Y C 1.035 177.012 175.900 0.128 0.000 1.269 235 Y CA 1.581 59.733 58.100 0.086 0.000 1.585 235 Y CB 0.001 38.495 38.460 0.058 0.000 1.224 235 Y HN 0.921 nan 8.280 nan 0.000 0.554 236 S N 4.950 120.428 115.700 -0.369 0.000 3.471 236 S HA -0.279 4.191 4.470 0.000 0.000 0.577 236 S C 0.222 174.872 174.600 0.084 0.000 0.626 236 S CA 0.591 58.651 58.200 -0.233 0.000 1.399 236 S CB -1.236 61.728 63.200 -0.394 0.000 0.984 236 S HN 0.950 nan 8.310 nan 0.000 0.905 237 Y N 6.233 126.536 120.300 0.006 0.000 2.114 237 Y HA -0.080 4.470 4.550 0.000 0.000 0.284 237 Y C 2.044 178.020 175.900 0.125 0.000 1.143 237 Y CA 2.220 60.359 58.100 0.064 0.000 1.135 237 Y CB -0.351 38.135 38.460 0.043 0.000 0.980 237 Y HN 0.773 nan 8.280 nan 0.000 0.499 238 R N -0.265 120.247 120.500 0.020 0.000 2.134 238 R HA -0.256 4.084 4.340 0.000 0.000 0.248 238 R C 2.145 178.462 176.300 0.027 0.000 1.143 238 R CA 1.910 57.984 56.100 -0.042 0.000 0.957 238 R CB -1.217 29.114 30.300 0.052 0.000 0.867 238 R HN 0.387 nan 8.270 nan 0.000 0.441 239 L N 1.321 122.600 121.223 0.094 0.000 2.042 239 L HA -0.181 4.159 4.340 0.000 0.000 0.210 239 L C 2.078 179.148 176.870 0.332 0.000 1.076 239 L CA 1.823 56.782 54.840 0.199 0.000 0.749 239 L CB -0.630 41.547 42.059 0.196 0.000 0.893 239 L HN 0.057 nan 8.230 nan 0.000 0.432 240 S N -0.155 115.726 115.700 0.301 0.000 2.365 240 S HA -0.234 4.236 4.470 0.000 0.000 0.225 240 S C 1.875 176.709 174.600 0.390 0.000 1.039 240 S CA 1.930 60.362 58.200 0.387 0.000 1.033 240 S CB -0.599 62.634 63.200 0.054 0.000 0.887 240 S HN 0.451 nan 8.310 nan 0.000 0.447 241 I N 1.488 122.202 120.570 0.240 0.000 2.058 241 I HA -0.202 3.968 4.170 0.000 0.000 0.235 241 I C 2.335 178.701 176.117 0.415 0.000 1.053 241 I CA 1.121 62.623 61.300 0.337 0.000 1.313 241 I CB -1.003 37.081 38.000 0.140 0.000 1.039 241 I HN 0.104 nan 8.210 nan 0.000 0.396 242 V N 1.109 121.204 119.914 0.302 0.000 2.220 242 V HA -0.412 3.708 4.120 0.000 0.000 0.250 242 V C 2.571 178.863 176.094 0.330 0.000 1.056 242 V CA 2.635 65.106 62.300 0.285 0.000 1.016 242 V CB -1.401 30.554 31.823 0.220 0.000 0.639 242 V HN 0.634 nan 8.190 nan 0.000 0.446 243 H N -0.651 118.601 119.070 0.303 0.000 2.422 243 H HA -0.251 4.305 4.556 0.000 0.000 0.298 243 H C 2.235 177.812 175.328 0.415 0.000 1.098 243 H CA 2.312 58.566 56.048 0.343 0.000 1.315 243 H CB -0.193 29.789 29.762 0.367 0.000 1.382 243 H HN 0.465 nan 8.280 nan 0.000 0.523 244 F N 0.520 120.383 119.950 -0.145 0.000 2.074 244 F HA -0.069 4.458 4.527 0.000 0.000 0.293 244 F C 1.984 177.593 175.800 -0.318 0.000 1.116 244 F CA 1.491 59.237 58.000 -0.422 0.000 1.212 244 F CB -0.885 37.748 39.000 -0.613 0.000 0.998 244 F HN 0.078 nan 8.300 nan 0.000 0.471 245 W N 0.594 121.755 121.300 -0.233 0.000 2.358 245 W HA -0.060 4.600 4.660 0.000 0.000 0.303 245 W C 2.657 179.072 176.519 -0.174 0.000 1.208 245 W CA 1.716 58.880 57.345 -0.301 0.000 1.274 245 W CB -1.033 28.387 29.460 -0.067 0.000 1.138 245 W HN 0.150 nan 8.180 nan 0.000 0.515 246 A N 0.068 122.988 122.820 0.167 0.000 1.877 246 A HA -0.200 4.120 4.320 0.000 0.000 0.216 246 A C 1.929 179.572 177.584 0.099 0.000 1.186 246 A CA 1.737 53.852 52.037 0.130 0.000 0.620 246 A CB -1.076 18.010 19.000 0.143 0.000 0.822 246 A HN 0.299 nan 8.150 nan 0.000 0.443 247 L N -0.844 120.427 121.223 0.080 0.000 1.994 247 L HA -0.119 4.221 4.340 0.000 0.000 0.208 247 L C 2.210 179.141 176.870 0.102 0.000 1.071 247 L CA 1.797 56.717 54.840 0.134 0.000 0.745 247 L CB -0.376 41.806 42.059 0.206 0.000 0.892 247 L HN 0.305 nan 8.230 nan 0.000 0.431 248 I N -0.728 119.771 120.570 -0.118 0.000 2.335 248 I HA -0.291 3.879 4.170 0.000 0.000 0.251 248 I C 2.089 178.365 176.117 0.265 0.000 1.129 248 I CA 1.891 63.174 61.300 -0.028 0.000 1.402 248 I CB -0.483 37.188 38.000 -0.550 0.000 1.069 248 I HN 0.360 nan 8.210 nan 0.000 0.424 249 T N -1.666 113.023 114.554 0.226 0.000 3.021 249 T HA 0.060 4.410 4.350 0.000 0.000 0.245 249 T C 1.905 176.840 174.700 0.392 0.000 1.028 249 T CA 0.787 63.077 62.100 0.317 0.000 1.139 249 T CB -0.053 68.961 68.868 0.243 0.000 0.884 249 T HN 0.036 nan 8.240 nan 0.000 0.457 250 V N 0.759 120.825 119.914 0.253 0.000 2.515 250 V HA -0.105 4.015 4.120 0.000 0.000 0.250 250 V C 2.079 178.382 176.094 0.347 0.000 1.058 250 V CA 1.345 63.754 62.300 0.181 0.000 1.064 250 V CB -0.664 31.180 31.823 0.035 0.000 0.675 250 V HN 0.431 nan 8.190 nan 0.000 0.461 251 Y N 0.196 120.664 120.300 0.280 0.000 2.224 251 Y HA -0.169 4.381 4.550 0.000 0.000 0.289 251 Y C 2.374 178.520 175.900 0.409 0.000 1.146 251 Y CA 0.950 59.228 58.100 0.296 0.000 1.182 251 Y CB -0.123 38.438 38.460 0.170 0.000 0.983 251 Y HN 0.120 nan 8.280 nan 0.000 0.524 252 I N -1.658 119.348 120.570 0.727 0.000 2.264 252 I HA -0.351 3.820 4.170 0.000 0.000 0.248 252 I C 1.839 178.246 176.117 0.482 0.000 1.111 252 I CA 1.361 63.023 61.300 0.603 0.000 1.382 252 I CB -1.502 36.810 38.000 0.520 0.000 1.060 252 I HN 0.351 nan 8.210 nan 0.000 0.418 253 W N 1.062 122.524 121.300 0.270 0.000 2.465 253 W HA -0.022 4.638 4.660 0.000 0.000 0.268 253 W C 2.526 179.084 176.519 0.065 0.000 1.242 253 W CA 1.050 58.495 57.345 0.168 0.000 1.248 253 W CB -0.667 28.865 29.460 0.120 0.000 1.118 253 W HN 0.084 nan 8.180 nan 0.000 0.587 254 A N 0.485 123.421 122.820 0.193 0.000 2.239 254 A HA 0.138 4.458 4.320 0.000 0.000 0.209 254 A C 2.234 179.579 177.584 -0.399 0.000 1.171 254 A CA 1.249 53.200 52.037 -0.144 0.000 0.768 254 A CB -1.239 17.512 19.000 -0.415 0.000 0.790 254 A HN 0.285 nan 8.150 nan 0.000 0.478 255 G N 1.298 110.066 108.800 -0.053 0.000 2.553 255 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 255 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 255 G C -0.359 174.503 174.900 -0.064 0.000 1.195 255 G CA 1.391 46.526 45.100 0.058 0.000 0.779 255 G HN 0.517 nan 8.290 nan 0.000 0.577 256 P HA -0.048 nan 4.420 nan 0.000 0.228 256 P C 1.332 178.373 177.300 -0.431 0.000 1.151 256 P CA 1.201 64.188 63.100 -0.189 0.000 0.770 256 P CB -0.363 31.245 31.700 -0.154 0.000 0.786 257 H N -2.908 115.915 119.070 -0.413 0.000 2.545 257 H HA -0.046 4.510 4.556 0.000 0.000 0.282 257 H C 1.324 176.159 175.328 -0.822 0.000 1.020 257 H CA 0.532 56.078 56.048 -0.836 0.000 1.243 257 H CB -0.725 28.745 29.762 -0.486 0.000 1.377 257 H HN 0.325 nan 8.280 nan 0.000 0.581 258 H N 1.210 120.029 119.070 -0.419 0.000 2.395 258 H HA 0.062 4.618 4.556 0.000 0.000 0.299 258 H C 1.322 176.331 175.328 -0.532 0.000 1.070 258 H CA 0.817 56.555 56.048 -0.516 0.000 1.356 258 H CB 0.450 29.607 29.762 -1.007 0.000 1.401 258 H HN 0.351 nan 8.280 nan 0.000 0.524 259 L N 2.094 123.114 121.223 -0.339 0.000 2.928 259 L HA 0.103 4.443 4.340 0.000 0.000 0.236 259 L C -0.065 176.648 176.870 -0.261 0.000 1.290 259 L CA -0.294 54.401 54.840 -0.240 0.000 1.099 259 L CB -0.225 41.794 42.059 -0.066 0.000 1.437 259 L HN 0.096 nan 8.230 nan 0.000 0.493 260 H N -0.097 118.745 119.070 -0.381 0.000 2.764 260 H HA 0.082 4.638 4.556 0.000 0.000 0.341 260 H C 0.065 175.253 175.328 -0.233 0.000 1.072 260 H CA -0.164 55.674 56.048 -0.349 0.000 1.444 260 H CB 0.266 29.825 29.762 -0.339 0.000 1.458 260 H HN 0.162 nan 8.280 nan 0.000 0.572 261 Y N -0.880 119.418 120.300 -0.004 0.000 3.491 261 Y HA -0.343 4.207 4.550 0.000 0.000 0.215 261 Y C 1.147 177.050 175.900 0.005 0.000 1.219 261 Y CA 0.811 58.903 58.100 -0.013 0.000 1.485 261 Y CB -1.648 36.806 38.460 -0.010 0.000 1.450 261 Y HN 0.670 nan 8.280 nan 0.000 0.603 262 T N -4.563 110.044 114.554 0.089 0.000 2.864 262 T HA 0.794 5.144 4.350 0.000 0.000 0.276 262 T C 1.242 175.987 174.700 0.075 0.000 1.006 262 T CA -0.393 61.766 62.100 0.099 0.000 0.970 262 T CB 1.597 70.511 68.868 0.078 0.000 1.420 262 T HN 0.229 nan 8.240 nan 0.000 0.601 263 A N -0.489 122.377 122.820 0.076 0.000 2.206 263 A HA 0.329 4.649 4.320 0.000 0.000 0.211 263 A C 1.018 178.616 177.584 0.023 0.000 1.158 263 A CA -0.064 52.007 52.037 0.056 0.000 0.761 263 A CB -0.998 18.041 19.000 0.065 0.000 0.801 263 A HN 0.718 nan 8.150 nan 0.000 0.473 264 L N 1.339 122.561 121.223 -0.002 0.000 2.540 264 L HA 0.191 4.531 4.340 0.000 0.000 0.276 264 L C -2.321 174.477 176.870 -0.120 0.000 1.212 264 L CA -1.333 53.463 54.840 -0.074 0.000 0.893 264 L CB 0.020 42.018 42.059 -0.101 0.000 1.138 264 L HN 0.010 nan 8.230 nan 0.000 0.491 265 P HA -0.007 nan 4.420 nan 0.000 0.266 265 P C 0.043 177.194 177.300 -0.249 0.000 1.193 265 P CA -0.040 62.964 63.100 -0.161 0.000 0.770 265 P CB 0.487 32.086 31.700 -0.167 0.000 0.836 266 D N 1.451 121.809 120.400 -0.070 0.000 2.133 266 D HA -0.161 4.479 4.640 0.000 0.000 0.195 266 D C 1.877 178.157 176.300 -0.033 0.000 0.997 266 D CA 1.315 55.288 54.000 -0.046 0.000 0.840 266 D CB -0.306 40.514 40.800 0.035 0.000 0.947 266 D HN 0.605 nan 8.370 nan 0.000 0.452 267 W N 1.527 122.836 121.300 0.014 0.000 2.338 267 W HA -0.079 4.581 4.660 -0.000 0.000 0.304 267 W C 1.933 178.477 176.519 0.041 0.000 1.212 267 W CA 1.086 58.447 57.345 0.026 0.000 1.264 267 W CB -1.064 28.412 29.460 0.027 0.000 1.142 267 W HN -0.087 nan 8.180 nan 0.000 0.512 268 A N 1.562 123.798 122.820 -0.972 0.000 1.873 268 A HA -0.238 4.082 4.320 0.000 0.000 0.215 268 A C 2.171 179.573 177.584 -0.303 0.000 1.186 268 A CA 2.058 53.556 52.037 -0.898 0.000 0.616 268 A CB -1.136 17.111 19.000 -1.255 0.000 0.823 268 A HN 0.473 nan 8.150 nan 0.000 0.442 269 Q N -0.176 119.475 119.800 -0.248 0.000 2.062 269 Q HA -0.185 4.155 4.340 0.000 0.000 0.209 269 Q C 2.533 178.573 176.000 0.066 0.000 0.996 269 Q CA 2.071 57.839 55.803 -0.058 0.000 0.859 269 Q CB -0.277 28.430 28.738 -0.051 0.000 0.920 269 Q HN 0.672 nan 8.270 nan 0.000 0.415 270 S N 0.720 116.431 115.700 0.019 0.000 2.348 270 S HA -0.149 4.321 4.470 0.000 0.000 0.221 270 S C 1.873 176.535 174.600 0.102 0.000 1.033 270 S CA 0.916 59.144 58.200 0.046 0.000 1.010 270 S CB -0.344 62.885 63.200 0.048 0.000 0.891 270 S HN 0.167 nan 8.310 nan 0.000 0.442 271 L N 1.713 123.031 121.223 0.159 0.000 2.103 271 L HA -0.164 4.176 4.340 0.000 0.000 0.215 271 L C 2.431 179.439 176.870 0.231 0.000 1.080 271 L CA 1.930 56.924 54.840 0.256 0.000 0.764 271 L CB -1.459 40.837 42.059 0.395 0.000 0.890 271 L HN 0.419 nan 8.230 nan 0.000 0.435 272 G N -1.759 107.124 108.800 0.139 0.000 2.404 272 G HA2 -0.299 3.661 3.960 0.000 0.000 0.215 272 G HA3 -0.299 3.661 3.960 0.000 0.000 0.215 272 G C 1.646 176.611 174.900 0.108 0.000 1.174 272 G CA 0.824 45.977 45.100 0.088 0.000 0.780 272 G HN 0.386 nan 8.290 nan 0.000 0.537 273 M N 0.345 120.038 119.600 0.155 0.000 2.065 273 M HA -0.092 4.388 4.480 0.000 0.000 0.259 273 M C 2.570 178.892 176.300 0.037 0.000 1.071 273 M CA 1.611 56.986 55.300 0.126 0.000 1.109 273 M CB -0.321 32.322 32.600 0.071 0.000 1.313 273 M HN 0.079 nan 8.290 nan 0.000 0.408 274 V N 1.246 121.178 119.914 0.029 0.000 2.282 274 V HA -0.356 3.764 4.120 0.000 0.000 0.249 274 V C 2.595 178.667 176.094 -0.037 0.000 1.057 274 V CA 2.128 64.421 62.300 -0.011 0.000 1.032 274 V CB -0.646 31.174 31.823 -0.006 0.000 0.645 274 V HN 0.588 nan 8.190 nan 0.000 0.447 275 M N -1.026 118.569 119.600 -0.009 0.000 2.254 275 M HA -0.078 4.402 4.480 0.000 0.000 0.265 275 M C 2.397 178.672 176.300 -0.043 0.000 1.066 275 M CA 1.271 56.545 55.300 -0.043 0.000 1.123 275 M CB -0.881 31.735 32.600 0.028 0.000 1.388 275 M HN 0.357 nan 8.290 nan 0.000 0.425 276 S N 1.328 117.020 115.700 -0.014 0.000 2.368 276 S HA -0.065 4.405 4.470 0.000 0.000 0.225 276 S C 2.013 176.541 174.600 -0.120 0.000 1.030 276 S CA 1.073 59.235 58.200 -0.064 0.000 0.999 276 S CB -0.326 62.876 63.200 0.004 0.000 0.844 276 S HN 0.410 nan 8.310 nan 0.000 0.459 277 L N 0.400 121.565 121.223 -0.097 0.000 2.056 277 L HA -0.099 4.241 4.340 0.000 0.000 0.207 277 L C 2.215 179.011 176.870 -0.124 0.000 1.078 277 L CA 0.992 55.764 54.840 -0.113 0.000 0.749 277 L CB -0.527 41.478 42.059 -0.089 0.000 0.901 277 L HN 0.265 nan 8.230 nan 0.000 0.433 278 I N -0.439 120.066 120.570 -0.108 0.000 2.264 278 I HA -0.321 3.849 4.170 0.000 0.000 0.248 278 I C 2.300 178.354 176.117 -0.106 0.000 1.111 278 I CA 1.081 62.318 61.300 -0.104 0.000 1.382 278 I CB -0.319 37.616 38.000 -0.109 0.000 1.060 278 I HN 0.160 nan 8.210 nan 0.000 0.418 279 L N -0.043 121.106 121.223 -0.123 0.000 2.187 279 L HA -0.212 4.128 4.340 0.000 0.000 0.213 279 L C 2.226 179.010 176.870 -0.144 0.000 1.100 279 L CA 1.531 56.289 54.840 -0.137 0.000 0.765 279 L CB -0.728 41.183 42.059 -0.247 0.000 0.904 279 L HN 0.248 nan 8.230 nan 0.000 0.437 280 L N -1.081 120.018 121.223 -0.207 0.000 1.997 280 L HA -0.337 4.003 4.340 0.000 0.000 0.216 280 L C 2.509 179.189 176.870 -0.316 0.000 1.074 280 L CA 1.814 56.446 54.840 -0.347 0.000 0.763 280 L CB -0.557 41.249 42.059 -0.422 0.000 0.890 280 L HN 0.402 nan 8.230 nan 0.000 0.434 281 A N 0.306 123.013 122.820 -0.189 0.000 1.848 281 A HA -0.226 4.094 4.320 0.000 0.000 0.217 281 A C -0.029 177.614 177.584 0.099 0.000 1.220 281 A CA 2.428 54.436 52.037 -0.048 0.000 0.645 281 A CB -2.219 16.770 19.000 -0.018 0.000 0.842 281 A HN 0.395 nan 8.150 nan 0.000 0.451 282 P HA -0.115 nan 4.420 nan 0.000 0.216 282 P C 1.752 179.289 177.300 0.395 0.000 1.153 282 P CA 1.872 65.141 63.100 0.282 0.000 0.858 282 P CB -0.188 31.648 31.700 0.228 0.000 0.789 283 S N -1.710 114.154 115.700 0.274 0.000 2.353 283 S HA -0.191 4.279 4.470 0.000 0.000 0.222 283 S C 1.600 176.454 174.600 0.425 0.000 1.035 283 S CA 1.257 59.657 58.200 0.332 0.000 1.025 283 S CB -1.184 62.083 63.200 0.112 0.000 0.902 283 S HN 0.210 nan 8.310 nan 0.000 0.440 284 W N 1.792 123.113 121.300 0.035 0.000 2.374 284 W HA 0.111 4.771 4.660 -0.000 0.000 0.288 284 W C 2.547 179.047 176.519 -0.032 0.000 1.218 284 W CA 0.259 57.598 57.345 -0.010 0.000 1.245 284 W CB -1.459 27.968 29.460 -0.056 0.000 1.126 284 W HN 0.416 nan 8.180 nan 0.000 0.545 285 G N 0.096 109.015 108.800 0.198 0.000 2.485 285 G HA2 -0.226 3.734 3.960 0.000 0.000 0.221 285 G HA3 -0.226 3.734 3.960 0.000 0.000 0.221 285 G C 1.840 176.457 174.900 -0.471 0.000 1.115 285 G CA 1.318 46.417 45.100 -0.002 0.000 0.751 285 G HN 0.399 nan 8.290 nan 0.000 0.567 286 G N 1.404 109.838 108.800 -0.610 0.000 2.433 286 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 286 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 286 G C 1.873 176.557 174.900 -0.360 0.000 1.186 286 G CA 1.499 46.206 45.100 -0.655 0.000 0.779 286 G HN 0.623 nan 8.290 nan 0.000 0.543 287 M N -0.569 118.950 119.600 -0.135 0.000 2.349 287 M HA 0.306 4.786 4.480 0.000 0.000 0.266 287 M C 2.321 178.528 176.300 -0.154 0.000 1.076 287 M CA 1.182 56.395 55.300 -0.144 0.000 1.126 287 M CB -0.361 32.187 32.600 -0.086 0.000 1.392 287 M HN 0.129 nan 8.290 nan 0.000 0.440 288 I N 1.490 121.987 120.570 -0.122 0.000 2.142 288 I HA -0.293 3.877 4.170 0.000 0.000 0.240 288 I C 2.534 178.637 176.117 -0.023 0.000 1.078 288 I CA 1.700 62.959 61.300 -0.068 0.000 1.343 288 I CB -0.839 37.173 38.000 0.019 0.000 1.046 288 I HN 0.543 nan 8.210 nan 0.000 0.405 289 N N 0.580 119.276 118.700 -0.006 0.000 2.205 289 N HA -0.164 4.576 4.740 0.000 0.000 0.186 289 N C 1.839 177.319 175.510 -0.049 0.000 1.015 289 N CA 1.397 54.486 53.050 0.064 0.000 0.862 289 N CB -0.074 38.445 38.487 0.053 0.000 0.986 289 N HN 0.445 nan 8.380 nan 0.000 0.429 290 G N 0.618 109.313 108.800 -0.175 0.000 2.395 290 G HA2 -0.129 3.831 3.960 0.000 0.000 0.214 290 G HA3 -0.129 3.831 3.960 0.000 0.000 0.214 290 G C 1.542 176.362 174.900 -0.132 0.000 1.177 290 G CA 0.198 45.183 45.100 -0.191 0.000 0.794 290 G HN 0.173 nan 8.290 nan 0.000 0.532 291 M N 0.124 119.664 119.600 -0.100 0.000 2.160 291 M HA 0.108 4.588 4.480 0.000 0.000 0.264 291 M C 2.629 178.892 176.300 -0.061 0.000 1.073 291 M CA 0.922 56.190 55.300 -0.054 0.000 1.142 291 M CB -0.220 32.414 32.600 0.058 0.000 1.358 291 M HN 0.105 nan 8.290 nan 0.000 0.422 292 M N -0.547 118.991 119.600 -0.105 0.000 2.358 292 M HA -0.118 4.362 4.480 0.000 0.000 0.264 292 M C 1.907 178.120 176.300 -0.144 0.000 1.064 292 M CA 1.377 56.534 55.300 -0.238 0.000 1.093 292 M CB -1.465 30.676 32.600 -0.765 0.000 1.401 292 M HN 0.270 nan 8.290 nan 0.000 0.440 293 T N 1.354 115.871 114.554 -0.060 0.000 2.759 293 T HA -0.133 4.217 4.350 0.000 0.000 0.269 293 T C 1.794 176.399 174.700 -0.158 0.000 1.042 293 T CA 1.073 63.152 62.100 -0.035 0.000 1.140 293 T CB -0.191 68.657 68.868 -0.032 0.000 0.864 293 T HN 0.226 nan 8.240 nan 0.000 0.455 294 L N 1.768 122.793 121.223 -0.330 0.000 2.478 294 L HA 0.154 4.494 4.340 0.000 0.000 0.223 294 L C 1.264 177.737 176.870 -0.662 0.000 1.140 294 L CA 0.160 54.624 54.840 -0.627 0.000 0.842 294 L CB -0.430 40.955 42.059 -1.124 0.000 0.953 294 L HN 0.191 nan 8.230 nan 0.000 0.452 295 S N -0.733 114.824 115.700 -0.238 0.000 2.563 295 S HA 0.328 4.798 4.470 0.000 0.000 0.294 295 S C 1.362 176.007 174.600 0.074 0.000 1.279 295 S CA 0.085 58.358 58.200 0.121 0.000 1.069 295 S CB 0.543 63.839 63.200 0.160 0.000 0.828 295 S HN 0.641 nan 8.310 nan 0.000 0.497 296 G N 3.116 112.056 108.800 0.234 0.000 2.454 296 G HA2 -0.223 3.737 3.960 0.000 0.000 0.225 296 G HA3 -0.223 3.737 3.960 0.000 0.000 0.225 296 G C 0.780 175.799 174.900 0.199 0.000 1.138 296 G CA 0.150 45.359 45.100 0.182 0.000 0.667 296 G HN 1.956 nan 8.290 nan 0.000 0.512 297 A N -0.225 122.597 122.820 0.002 0.000 2.370 297 A HA 0.509 4.829 4.320 0.000 0.000 0.238 297 A C 1.421 178.865 177.584 -0.232 0.000 1.289 297 A CA 0.827 52.803 52.037 -0.102 0.000 0.885 297 A CB -0.751 18.121 19.000 -0.213 0.000 0.961 297 A HN 0.639 nan 8.150 nan 0.000 0.499 298 W N 0.105 121.409 121.300 0.007 0.000 2.392 298 W HA -0.194 4.466 4.660 0.000 0.000 0.279 298 W C 2.387 178.894 176.519 -0.020 0.000 1.225 298 W CA 1.321 58.654 57.345 -0.021 0.000 1.233 298 W CB -0.229 29.233 29.460 0.003 0.000 1.122 298 W HN 0.777 nan 8.180 nan 0.000 0.561 299 H N 0.084 119.252 119.070 0.163 0.000 2.518 299 H HA -0.012 4.544 4.556 0.000 0.000 0.289 299 H C 1.279 176.631 175.328 0.040 0.000 1.051 299 H CA 1.244 57.345 56.048 0.089 0.000 1.280 299 H CB -0.537 29.263 29.762 0.062 0.000 1.380 299 H HN 0.211 nan 8.280 nan 0.000 0.566 300 K N 0.596 120.714 120.400 -0.470 0.000 2.365 300 K HA 0.080 4.400 4.320 0.000 0.000 0.199 300 K C 2.360 178.857 176.600 -0.171 0.000 1.045 300 K CA 0.245 56.316 56.287 -0.360 0.000 0.962 300 K CB 0.280 32.549 32.500 -0.386 0.000 0.759 300 K HN 0.270 nan 8.250 nan 0.000 0.469 301 L N 0.879 122.042 121.223 -0.099 0.000 2.093 301 L HA -0.179 4.161 4.340 0.000 0.000 0.208 301 L C 2.351 179.172 176.870 -0.082 0.000 1.085 301 L CA 1.443 56.236 54.840 -0.077 0.000 0.755 301 L CB -0.404 41.673 42.059 0.031 0.000 0.904 301 L HN 0.252 nan 8.230 nan 0.000 0.435 302 R N -1.003 119.487 120.500 -0.017 0.000 2.148 302 R HA -0.072 4.268 4.340 0.000 0.000 0.223 302 R C 2.367 178.655 176.300 -0.019 0.000 1.088 302 R CA 1.246 57.346 56.100 0.000 0.000 0.985 302 R CB -0.558 29.769 30.300 0.046 0.000 0.880 302 R HN 0.107 nan 8.270 nan 0.000 0.451 303 S N 0.745 116.425 115.700 -0.033 0.000 2.348 303 S HA -0.125 4.345 4.470 0.000 0.000 0.219 303 S C 0.342 174.905 174.600 -0.062 0.000 1.033 303 S CA 0.938 59.118 58.200 -0.034 0.000 0.974 303 S CB -0.157 63.024 63.200 -0.032 0.000 0.868 303 S HN 0.378 nan 8.310 nan 0.000 0.459 304 D N 0.925 121.269 120.400 -0.093 0.000 2.441 304 D HA 0.393 5.033 4.640 0.000 0.000 0.231 304 D C -1.779 174.439 176.300 -0.136 0.000 1.073 304 D CA -2.465 51.477 54.000 -0.096 0.000 0.850 304 D CB 1.892 42.643 40.800 -0.081 0.000 1.062 304 D HN 0.085 nan 8.370 nan 0.000 0.524 305 P HA -0.038 nan 4.420 nan 0.000 0.225 305 P C 1.684 178.954 177.300 -0.050 0.000 1.156 305 P CA 0.498 63.467 63.100 -0.219 0.000 0.787 305 P CB 0.569 32.168 31.700 -0.169 0.000 0.802 306 I N -0.778 119.799 120.570 0.011 0.000 2.226 306 I HA -0.230 3.940 4.170 0.000 0.000 0.245 306 I C 2.425 178.623 176.117 0.135 0.000 1.100 306 I CA 1.004 62.380 61.300 0.126 0.000 1.374 306 I CB -0.681 37.372 38.000 0.088 0.000 1.057 306 I HN -0.089 nan 8.210 nan 0.000 0.413 307 L N 0.882 122.120 121.223 0.025 0.000 2.046 307 L HA -0.193 4.147 4.340 0.000 0.000 0.208 307 L C 2.627 179.473 176.870 -0.039 0.000 1.077 307 L CA 1.737 56.567 54.840 -0.017 0.000 0.747 307 L CB -0.614 41.391 42.059 -0.090 0.000 0.896 307 L HN 0.071 nan 8.230 nan 0.000 0.432 308 R N -1.509 118.894 120.500 -0.161 0.000 2.112 308 R HA -0.260 4.080 4.340 0.000 0.000 0.242 308 R C 2.274 178.534 176.300 -0.068 0.000 1.137 308 R CA 2.303 58.200 56.100 -0.337 0.000 0.944 308 R CB -0.804 28.889 30.300 -1.011 0.000 0.857 308 R HN 0.288 nan 8.270 nan 0.000 0.435 309 F N 0.894 120.864 119.950 0.033 0.000 2.043 309 F HA -0.289 4.238 4.527 0.000 0.000 0.297 309 F C 2.428 178.321 175.800 0.154 0.000 1.118 309 F CA 1.581 59.700 58.000 0.199 0.000 1.202 309 F CB -0.452 38.624 39.000 0.127 0.000 0.965 309 F HN -0.007 nan 8.300 nan 0.000 0.482 310 L N -0.797 120.603 121.223 0.295 0.000 2.012 310 L HA -0.256 4.084 4.340 0.000 0.000 0.210 310 L C 2.286 179.255 176.870 0.165 0.000 1.073 310 L CA 1.031 55.986 54.840 0.192 0.000 0.748 310 L CB -0.970 41.159 42.059 0.117 0.000 0.891 310 L HN 0.027 nan 8.230 nan 0.000 0.431 311 V N -0.777 119.201 119.914 0.106 0.000 2.244 311 V HA -0.241 3.879 4.120 0.000 0.000 0.244 311 V C 2.409 178.598 176.094 0.157 0.000 1.042 311 V CA 1.584 63.935 62.300 0.084 0.000 1.006 311 V CB -0.339 31.503 31.823 0.032 0.000 0.641 311 V HN 0.167 nan 8.190 nan 0.000 0.446 312 V N 0.532 120.564 119.914 0.197 0.000 2.453 312 V HA -0.288 3.832 4.120 0.000 0.000 0.252 312 V C 2.791 179.086 176.094 0.334 0.000 1.068 312 V CA 2.324 64.759 62.300 0.225 0.000 1.070 312 V CB -0.779 31.231 31.823 0.312 0.000 0.664 312 V HN 0.719 nan 8.190 nan 0.000 0.461 313 S N 0.067 115.997 115.700 0.383 0.000 2.365 313 S HA -0.233 4.237 4.470 0.000 0.000 0.225 313 S C 1.939 176.856 174.600 0.527 0.000 1.039 313 S CA 2.125 60.623 58.200 0.496 0.000 1.033 313 S CB -0.416 63.036 63.200 0.422 0.000 0.887 313 S HN 0.560 nan 8.310 nan 0.000 0.447 314 L N 1.257 122.677 121.223 0.329 0.000 2.083 314 L HA -0.010 4.330 4.340 0.000 0.000 0.209 314 L C 3.120 180.062 176.870 0.120 0.000 1.083 314 L CA 1.039 55.984 54.840 0.175 0.000 0.752 314 L CB -0.852 41.235 42.059 0.047 0.000 0.899 314 L HN 0.478 nan 8.230 nan 0.000 0.433 315 A N 0.288 123.148 122.820 0.066 0.000 1.883 315 A HA -0.227 4.093 4.320 0.000 0.000 0.217 315 A C 2.091 179.623 177.584 -0.086 0.000 1.186 315 A CA 1.733 53.717 52.037 -0.089 0.000 0.624 315 A CB -0.915 17.964 19.000 -0.201 0.000 0.822 315 A HN 0.325 nan 8.150 nan 0.000 0.444 316 F N -2.133 117.908 119.950 0.151 0.000 2.146 316 F HA -0.123 4.405 4.527 0.000 0.000 0.298 316 F C 2.249 178.139 175.800 0.151 0.000 1.096 316 F CA 1.548 59.647 58.000 0.165 0.000 1.275 316 F CB -0.616 38.497 39.000 0.189 0.000 1.008 316 F HN 0.419 nan 8.300 nan 0.000 0.480 317 Y N 1.067 121.477 120.300 0.182 0.000 2.081 317 Y HA -0.216 4.334 4.550 0.000 0.000 0.280 317 Y C 2.443 178.296 175.900 -0.079 0.000 1.163 317 Y CA 1.601 59.582 58.100 -0.199 0.000 1.135 317 Y CB -1.055 36.908 38.460 -0.827 0.000 0.970 317 Y HN 0.008 nan 8.280 nan 0.000 0.498 318 G N 0.509 109.258 108.800 -0.085 0.000 2.440 318 G HA2 -0.358 3.602 3.960 0.000 0.000 0.218 318 G HA3 -0.358 3.602 3.960 0.000 0.000 0.218 318 G C 1.692 176.678 174.900 0.144 0.000 1.154 318 G CA 1.345 46.362 45.100 -0.138 0.000 0.767 318 G HN 0.605 nan 8.290 nan 0.000 0.552 319 M N 1.761 121.455 119.600 0.158 0.000 2.132 319 M HA -0.046 4.434 4.480 0.000 0.000 0.263 319 M C 2.505 179.013 176.300 0.348 0.000 1.065 319 M CA 2.769 58.259 55.300 0.316 0.000 1.122 319 M CB -0.256 32.510 32.600 0.277 0.000 1.365 319 M HN 0.176 nan 8.290 nan 0.000 0.411 320 S N -1.010 114.839 115.700 0.249 0.000 2.461 320 S HA -0.028 4.442 4.470 0.000 0.000 0.228 320 S C 1.710 176.418 174.600 0.181 0.000 1.005 320 S CA 0.847 59.210 58.200 0.271 0.000 0.942 320 S CB -1.410 61.926 63.200 0.226 0.000 0.776 320 S HN 0.710 nan 8.310 nan 0.000 0.514 321 T N -1.708 112.856 114.554 0.017 0.000 3.272 321 T HA 0.345 4.695 4.350 0.000 0.000 0.250 321 T C 0.663 175.429 174.700 0.109 0.000 1.082 321 T CA -0.363 61.711 62.100 -0.043 0.000 0.968 321 T CB -0.657 68.011 68.868 -0.332 0.000 1.015 321 T HN 0.553 nan 8.240 nan 0.000 0.563 322 F N 0.442 120.420 119.950 0.046 0.000 2.549 322 F HA 0.343 4.870 4.527 0.000 0.000 0.275 322 F C 2.241 178.021 175.800 -0.034 0.000 0.990 322 F CA -0.385 57.606 58.000 -0.015 0.000 1.274 322 F CB 0.451 39.609 39.000 0.263 0.000 1.064 322 F HN 0.106 nan 8.300 nan 0.000 0.715 323 E N 0.707 120.889 120.200 -0.029 0.000 2.097 323 E HA -0.197 4.153 4.350 0.000 0.000 0.196 323 E C 2.155 178.590 176.600 -0.275 0.000 1.000 323 E CA 1.621 57.943 56.400 -0.130 0.000 0.804 323 E CB -0.509 29.297 29.700 0.175 0.000 0.740 323 E HN 0.572 nan 8.360 nan 0.000 0.454 324 G N 1.093 109.733 108.800 -0.268 0.000 2.453 324 G HA2 -0.196 3.764 3.960 0.000 0.000 0.215 324 G HA3 -0.196 3.764 3.960 0.000 0.000 0.215 324 G C -0.793 173.850 174.900 -0.429 0.000 1.201 324 G CA 0.908 45.716 45.100 -0.487 0.000 0.784 324 G HN 0.328 nan 8.290 nan 0.000 0.545 325 P HA -0.135 nan 4.420 nan 0.000 0.216 325 P C 2.250 179.401 177.300 -0.248 0.000 1.154 325 P CA 1.326 64.281 63.100 -0.242 0.000 0.865 325 P CB -0.041 31.563 31.700 -0.161 0.000 0.789 326 M N -2.021 117.413 119.600 -0.278 0.000 2.086 326 M HA -0.101 4.379 4.480 0.000 0.000 0.261 326 M C 2.098 178.218 176.300 -0.299 0.000 1.067 326 M CA 1.893 57.027 55.300 -0.276 0.000 1.116 326 M CB -1.441 30.954 32.600 -0.342 0.000 1.348 326 M HN 0.053 nan 8.290 nan 0.000 0.407 327 M N -0.731 118.616 119.600 -0.421 0.000 2.557 327 M HA -0.023 4.457 4.480 0.000 0.000 0.259 327 M C 1.807 177.884 176.300 -0.373 0.000 1.086 327 M CA 0.694 55.687 55.300 -0.512 0.000 1.096 327 M CB -0.362 31.791 32.600 -0.745 0.000 1.424 327 M HN 0.231 nan 8.290 nan 0.000 0.488 328 A N 0.347 122.966 122.820 -0.334 0.000 2.218 328 A HA 0.215 4.535 4.320 0.000 0.000 0.209 328 A C 0.859 178.446 177.584 0.005 0.000 1.168 328 A CA -0.062 51.874 52.037 -0.168 0.000 0.804 328 A CB -0.424 18.417 19.000 -0.266 0.000 0.834 328 A HN 0.357 nan 8.150 nan 0.000 0.482 329 I N 0.694 121.191 120.570 -0.122 0.000 2.533 329 I HA 0.004 4.174 4.170 0.000 0.000 0.284 329 I C 1.221 177.207 176.117 -0.217 0.000 1.109 329 I CA -0.268 60.943 61.300 -0.149 0.000 1.412 329 I CB 1.016 38.941 38.000 -0.126 0.000 1.396 329 I HN 0.231 nan 8.210 nan 0.000 0.543 330 K N 2.961 123.124 120.400 -0.394 0.000 2.044 330 K HA -0.185 4.135 4.320 0.000 0.000 0.210 330 K C 1.783 178.352 176.600 -0.051 0.000 1.049 330 K CA 1.914 57.898 56.287 -0.506 0.000 0.927 330 K CB -0.305 31.795 32.500 -0.667 0.000 0.713 330 K HN 0.688 nan 8.250 nan 0.000 0.443 331 T N 1.052 115.603 114.554 -0.004 0.000 2.833 331 T HA -0.088 4.262 4.350 0.000 0.000 0.269 331 T C 2.019 176.734 174.700 0.025 0.000 1.054 331 T CA 1.093 63.227 62.100 0.056 0.000 1.135 331 T CB -0.105 68.776 68.868 0.023 0.000 0.869 331 T HN -0.026 nan 8.240 nan 0.000 0.466 332 V N 2.191 122.087 119.914 -0.031 0.000 2.346 332 V HA -0.107 4.013 4.120 0.000 0.000 0.244 332 V C 2.505 178.547 176.094 -0.085 0.000 1.037 332 V CA 1.279 63.545 62.300 -0.055 0.000 1.029 332 V CB -0.601 31.146 31.823 -0.127 0.000 0.663 332 V HN 0.540 nan 8.190 nan 0.000 0.454 333 N N 0.642 119.287 118.700 -0.092 0.000 2.272 333 N HA -0.205 4.535 4.740 0.000 0.000 0.185 333 N C 1.841 177.393 175.510 0.069 0.000 1.014 333 N CA 1.446 54.464 53.050 -0.054 0.000 0.870 333 N CB 0.003 38.512 38.487 0.036 0.000 0.975 333 N HN 0.477 nan 8.380 nan 0.000 0.433 334 A N 0.880 123.773 122.820 0.122 0.000 1.986 334 A HA -0.151 4.169 4.320 0.000 0.000 0.220 334 A C 2.147 179.815 177.584 0.140 0.000 1.171 334 A CA 1.043 53.159 52.037 0.131 0.000 0.640 334 A CB -0.406 18.623 19.000 0.050 0.000 0.811 334 A HN 0.393 nan 8.150 nan 0.000 0.451 335 L N -0.949 120.355 121.223 0.134 0.000 2.286 335 L HA 0.034 4.374 4.340 0.000 0.000 0.203 335 L C 2.752 179.762 176.870 0.233 0.000 1.068 335 L CA 1.661 56.614 54.840 0.189 0.000 0.811 335 L CB -0.228 41.947 42.059 0.195 0.000 0.989 335 L HN 0.416 nan 8.230 nan 0.000 0.467 336 S N -1.076 114.699 115.700 0.125 0.000 2.368 336 S HA -0.247 4.223 4.470 0.000 0.000 0.225 336 S C 1.151 175.821 174.600 0.117 0.000 1.030 336 S CA 0.418 58.636 58.200 0.031 0.000 0.999 336 S CB -0.754 62.068 63.200 -0.631 0.000 0.844 336 S HN 0.561 nan 8.310 nan 0.000 0.459 337 H N 0.325 119.383 119.070 -0.019 0.000 3.038 337 H HA 0.118 4.674 4.556 0.000 0.000 0.338 337 H C 0.364 175.753 175.328 0.102 0.000 1.041 337 H CA 1.541 57.521 56.048 -0.113 0.000 1.394 337 H CB -0.292 29.311 29.762 -0.264 0.000 1.357 337 H HN 0.492 nan 8.280 nan 0.000 0.600 338 Y N -1.078 119.112 120.300 -0.183 0.000 4.543 338 Y HA -0.426 4.125 4.550 0.000 0.000 0.303 338 Y C 1.325 177.444 175.900 0.364 0.000 1.054 338 Y CA 1.042 59.182 58.100 0.066 0.000 1.902 338 Y CB -1.831 36.710 38.460 0.136 0.000 1.052 338 Y HN 0.760 nan 8.280 nan 0.000 0.448 339 T N -1.939 112.884 114.554 0.449 0.000 2.847 339 T HA 0.164 4.514 4.350 0.000 0.000 0.279 339 T C 0.845 175.723 174.700 0.295 0.000 0.984 339 T CA -0.112 62.177 62.100 0.315 0.000 0.988 339 T CB 1.268 70.217 68.868 0.135 0.000 1.040 339 T HN 0.117 nan 8.240 nan 0.000 0.528 340 D N -0.573 119.963 120.400 0.227 0.000 2.351 340 D HA -0.052 4.588 4.640 0.000 0.000 0.216 340 D C 1.199 177.705 176.300 0.343 0.000 0.968 340 D CA 0.437 54.587 54.000 0.249 0.000 0.899 340 D CB -0.096 40.791 40.800 0.145 0.000 0.907 340 D HN 0.648 nan 8.370 nan 0.000 0.514 341 W N 1.999 123.383 121.300 0.141 0.000 2.358 341 W HA -0.170 4.490 4.660 -0.000 0.000 0.303 341 W C 1.890 178.552 176.519 0.239 0.000 1.208 341 W CA 1.349 58.816 57.345 0.205 0.000 1.274 341 W CB -0.859 28.693 29.460 0.154 0.000 1.138 341 W HN -0.112 nan 8.180 nan 0.000 0.515 342 T N 1.563 116.335 114.554 0.364 0.000 2.665 342 T HA -0.263 4.087 4.350 0.000 0.000 0.268 342 T C 1.828 176.745 174.700 0.360 0.000 1.035 342 T CA 2.282 64.540 62.100 0.263 0.000 1.151 342 T CB -0.512 68.473 68.868 0.195 0.000 0.862 342 T HN -0.021 nan 8.240 nan 0.000 0.438 343 I N 1.378 122.174 120.570 0.376 0.000 2.286 343 I HA -0.062 4.108 4.170 0.000 0.000 0.248 343 I C 2.661 179.055 176.117 0.462 0.000 1.115 343 I CA 1.166 62.722 61.300 0.426 0.000 1.392 343 I CB -0.977 37.256 38.000 0.388 0.000 1.065 343 I HN 0.306 nan 8.210 nan 0.000 0.418 344 G N -0.811 108.236 108.800 0.412 0.000 2.433 344 G HA2 -0.374 3.586 3.960 0.000 0.000 0.216 344 G HA3 -0.374 3.586 3.960 0.000 0.000 0.216 344 G C 1.653 176.727 174.900 0.290 0.000 1.186 344 G CA 1.389 46.677 45.100 0.314 0.000 0.779 344 G HN 0.499 nan 8.290 nan 0.000 0.543 345 H N 0.595 119.870 119.070 0.342 0.000 2.289 345 H HA -0.099 4.457 4.556 0.000 0.000 0.296 345 H C 2.512 177.926 175.328 0.143 0.000 1.091 345 H CA 2.017 58.217 56.048 0.253 0.000 1.274 345 H CB -0.545 29.319 29.762 0.170 0.000 1.364 345 H HN 0.106 nan 8.280 nan 0.000 0.490 346 V N 0.613 120.493 119.914 -0.056 0.000 2.252 346 V HA -0.340 3.780 4.120 0.000 0.000 0.249 346 V C 2.286 178.183 176.094 -0.328 0.000 1.056 346 V CA 2.600 64.769 62.300 -0.219 0.000 1.022 346 V CB -0.736 31.075 31.823 -0.020 0.000 0.641 346 V HN 0.605 nan 8.190 nan 0.000 0.445 347 H N -0.451 118.467 119.070 -0.254 0.000 2.470 347 H HA 0.217 4.773 4.556 0.000 0.000 0.289 347 H C 2.125 177.178 175.328 -0.458 0.000 1.033 347 H CA 0.988 56.737 56.048 -0.499 0.000 1.331 347 H CB -0.432 28.671 29.762 -1.100 0.000 1.414 347 H HN 0.437 nan 8.280 nan 0.000 0.545 348 A N 0.565 123.267 122.820 -0.197 0.000 1.849 348 A HA -0.186 4.134 4.320 0.000 0.000 0.217 348 A C 2.742 180.270 177.584 -0.094 0.000 1.202 348 A CA 1.914 53.872 52.037 -0.133 0.000 0.629 348 A CB -1.400 17.652 19.000 0.086 0.000 0.834 348 A HN 0.503 nan 8.150 nan 0.000 0.447 349 G N -0.916 107.852 108.800 -0.053 0.000 2.469 349 G HA2 -0.049 3.911 3.960 0.000 0.000 0.219 349 G HA3 -0.049 3.911 3.960 0.000 0.000 0.219 349 G C 1.715 176.603 174.900 -0.021 0.000 1.150 349 G CA 1.870 46.998 45.100 0.047 0.000 0.763 349 G HN 0.902 nan 8.290 nan 0.000 0.561 350 A N 0.246 122.927 122.820 -0.232 0.000 1.854 350 A HA 0.234 4.554 4.320 0.000 0.000 0.214 350 A C 2.448 179.845 177.584 -0.311 0.000 1.192 350 A CA 1.234 53.082 52.037 -0.316 0.000 0.611 350 A CB -0.326 18.378 19.000 -0.493 0.000 0.832 350 A HN 0.329 nan 8.150 nan 0.000 0.442 351 L N -1.161 119.808 121.223 -0.424 0.000 2.102 351 L HA 0.054 4.394 4.340 0.000 0.000 0.202 351 L C 2.831 179.522 176.870 -0.298 0.000 1.076 351 L CA 0.998 55.500 54.840 -0.563 0.000 0.761 351 L CB -0.899 40.587 42.059 -0.955 0.000 0.921 351 L HN 0.461 nan 8.230 nan 0.000 0.444 352 G N -0.649 107.896 108.800 -0.425 0.000 2.403 352 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 352 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 352 G C 1.323 176.316 174.900 0.155 0.000 1.154 352 G CA 0.280 45.064 45.100 -0.527 0.000 0.784 352 G HN 0.516 nan 8.290 nan 0.000 0.538 353 W N 0.248 121.540 121.300 -0.013 0.000 3.096 353 W HA 0.035 4.695 4.660 0.000 0.000 0.271 353 W C 2.002 178.481 176.519 -0.067 0.000 0.983 353 W CA 0.612 57.998 57.345 0.069 0.000 1.978 353 W CB -0.308 29.243 29.460 0.152 0.000 1.175 353 W HN 0.008 nan 8.180 nan 0.000 0.559 354 V N 2.823 122.306 119.914 -0.719 0.000 2.231 354 V HA -0.361 3.759 4.120 0.000 0.000 0.250 354 V C 2.752 178.516 176.094 -0.550 0.000 1.058 354 V CA 3.185 64.785 62.300 -1.166 0.000 1.022 354 V CB -1.827 29.408 31.823 -0.979 0.000 0.640 354 V HN 0.421 nan 8.190 nan 0.000 0.445 355 A N -0.603 122.148 122.820 -0.115 0.000 1.877 355 A HA -0.206 4.114 4.320 0.000 0.000 0.216 355 A C 2.245 179.947 177.584 0.196 0.000 1.186 355 A CA 2.238 54.427 52.037 0.254 0.000 0.620 355 A CB -0.485 18.726 19.000 0.352 0.000 0.822 355 A HN 0.468 nan 8.150 nan 0.000 0.443 356 M N -0.920 118.792 119.600 0.186 0.000 2.080 356 M HA -0.132 4.348 4.480 0.000 0.000 0.260 356 M C 2.271 178.657 176.300 0.143 0.000 1.068 356 M CA 1.575 57.048 55.300 0.289 0.000 1.109 356 M CB -1.116 31.701 32.600 0.362 0.000 1.342 356 M HN 0.302 nan 8.290 nan 0.000 0.405 357 V N 0.855 120.759 119.914 -0.015 0.000 2.343 357 V HA -0.249 3.871 4.120 0.000 0.000 0.247 357 V C 2.531 178.535 176.094 -0.151 0.000 1.051 357 V CA 2.519 64.760 62.300 -0.098 0.000 1.036 357 V CB -0.407 31.212 31.823 -0.340 0.000 0.654 357 V HN 0.610 nan 8.190 nan 0.000 0.451 358 S N -0.108 115.505 115.700 -0.145 0.000 2.387 358 S HA -0.093 4.377 4.470 0.000 0.000 0.226 358 S C 1.950 176.415 174.600 -0.225 0.000 1.026 358 S CA 1.262 59.362 58.200 -0.167 0.000 0.972 358 S CB -0.416 62.724 63.200 -0.100 0.000 0.814 358 S HN 0.452 nan 8.310 nan 0.000 0.477 359 I N 3.113 123.576 120.570 -0.179 0.000 2.069 359 I HA -0.176 3.994 4.170 0.000 0.000 0.237 359 I C 2.909 178.756 176.117 -0.450 0.000 1.053 359 I CA 1.909 62.975 61.300 -0.390 0.000 1.311 359 I CB -2.227 35.403 38.000 -0.615 0.000 1.030 359 I HN 0.442 nan 8.210 nan 0.000 0.398 360 G N 0.606 109.190 108.800 -0.360 0.000 2.529 360 G HA2 -0.305 3.655 3.960 0.000 0.000 0.219 360 G HA3 -0.305 3.655 3.960 0.000 0.000 0.219 360 G C 1.857 176.660 174.900 -0.161 0.000 1.177 360 G CA 1.631 46.655 45.100 -0.127 0.000 0.773 360 G HN 0.551 nan 8.290 nan 0.000 0.573 361 A N 0.423 122.999 122.820 -0.407 0.000 1.883 361 A HA 0.029 4.349 4.320 0.000 0.000 0.217 361 A C 2.510 179.722 177.584 -0.620 0.000 1.186 361 A CA 1.587 53.042 52.037 -0.970 0.000 0.624 361 A CB -0.462 17.768 19.000 -1.283 0.000 0.822 361 A HN 0.384 nan 8.150 nan 0.000 0.444 362 L N -2.321 118.658 121.223 -0.406 0.000 1.994 362 L HA -0.217 4.123 4.340 0.000 0.000 0.208 362 L C 2.595 179.378 176.870 -0.145 0.000 1.071 362 L CA 1.738 56.412 54.840 -0.276 0.000 0.745 362 L CB -0.801 41.083 42.059 -0.292 0.000 0.892 362 L HN 0.501 nan 8.230 nan 0.000 0.431 363 Y N -0.804 119.414 120.300 -0.137 0.000 2.181 363 Y HA -0.400 4.150 4.550 0.000 0.000 0.284 363 Y C 2.806 178.701 175.900 -0.009 0.000 1.179 363 Y CA 1.689 59.742 58.100 -0.079 0.000 1.179 363 Y CB -0.315 38.077 38.460 -0.114 0.000 0.973 363 Y HN 0.316 nan 8.280 nan 0.000 0.519 364 H N 0.034 119.162 119.070 0.097 0.000 2.307 364 H HA -0.149 4.407 4.556 0.000 0.000 0.303 364 H C 1.982 177.369 175.328 0.098 0.000 1.073 364 H CA 2.052 58.188 56.048 0.146 0.000 1.338 364 H CB -0.173 29.779 29.762 0.315 0.000 1.389 364 H HN 0.280 nan 8.280 nan 0.000 0.503 365 L N -1.244 120.096 121.223 0.195 0.000 2.202 365 L HA 0.131 4.471 4.340 0.000 0.000 0.205 365 L C 2.157 178.952 176.870 -0.126 0.000 1.083 365 L CA 0.796 55.585 54.840 -0.085 0.000 0.790 365 L CB -0.893 40.933 42.059 -0.388 0.000 0.942 365 L HN 0.103 nan 8.230 nan 0.000 0.452 366 V N 0.981 120.877 119.914 -0.030 0.000 2.282 366 V HA -0.196 3.924 4.120 0.000 0.000 0.249 366 V C 0.236 176.436 176.094 0.176 0.000 1.057 366 V CA 2.645 64.996 62.300 0.086 0.000 1.032 366 V CB -1.896 29.944 31.823 0.028 0.000 0.645 366 V HN 0.396 nan 8.190 nan 0.000 0.447 367 P HA -0.144 nan 4.420 nan 0.000 0.211 367 P C 1.607 178.992 177.300 0.142 0.000 1.179 367 P CA 1.362 64.519 63.100 0.095 0.000 0.910 367 P CB -0.113 31.606 31.700 0.032 0.000 0.785 368 K N -0.406 120.048 120.400 0.090 0.000 2.049 368 K HA -0.169 4.151 4.320 0.000 0.000 0.219 368 K C 1.960 178.706 176.600 0.242 0.000 1.056 368 K CA 1.717 58.112 56.287 0.181 0.000 0.946 368 K CB -1.601 31.006 32.500 0.180 0.000 0.723 368 K HN -0.044 nan 8.250 nan 0.000 0.453 369 V N -0.253 119.687 119.914 0.043 0.000 2.626 369 V HA -0.143 3.977 4.120 0.000 0.000 0.252 369 V C 1.232 177.320 176.094 -0.009 0.000 1.067 369 V CA 1.304 63.536 62.300 -0.114 0.000 1.081 369 V CB -0.439 31.172 31.823 -0.353 0.000 0.686 369 V HN 0.196 nan 8.190 nan 0.000 0.468 370 F N 0.747 120.736 119.950 0.065 0.000 2.660 370 F HA 0.471 4.998 4.527 0.000 0.000 0.297 370 F C 1.609 177.461 175.800 0.086 0.000 1.132 370 F CA 0.230 58.266 58.000 0.061 0.000 1.372 370 F CB -0.376 38.627 39.000 0.005 0.000 1.003 370 F HN 0.212 nan 8.300 nan 0.000 0.524 371 G N 2.319 111.277 108.800 0.263 0.000 2.352 371 G HA2 -0.310 3.650 3.960 0.000 0.000 0.283 371 G HA3 -0.310 3.650 3.960 0.000 0.000 0.283 371 G C -0.080 174.895 174.900 0.125 0.000 0.946 371 G CA 0.430 45.665 45.100 0.225 0.000 1.317 371 G HN 0.547 nan 8.290 nan 0.000 0.478 372 R N -0.081 120.485 120.500 0.110 0.000 2.561 372 R HA 0.481 4.821 4.340 0.000 0.000 0.266 372 R C 0.989 177.304 176.300 0.025 0.000 1.091 372 R CA -0.284 55.842 56.100 0.042 0.000 0.927 372 R CB 0.670 31.006 30.300 0.059 0.000 1.240 372 R HN 0.082 nan 8.270 nan 0.000 0.449 373 E N 2.543 122.732 120.200 -0.019 0.000 2.208 373 E HA -0.096 4.254 4.350 0.000 0.000 0.193 373 E C -0.028 176.563 176.600 -0.016 0.000 0.988 373 E CA 1.123 57.510 56.400 -0.021 0.000 0.828 373 E CB -0.108 29.567 29.700 -0.043 0.000 0.763 373 E HN 0.684 nan 8.360 nan 0.000 0.478 374 Q N -1.794 117.998 119.800 -0.014 0.000 2.782 374 Q HA 0.352 4.692 4.340 0.000 0.000 0.308 374 Q C -0.598 175.401 176.000 -0.001 0.000 0.883 374 Q CA -1.020 54.773 55.803 -0.016 0.000 0.755 374 Q CB 0.542 29.263 28.738 -0.028 0.000 1.454 374 Q HN -0.156 nan 8.270 nan 0.000 0.452 375 M N 1.392 120.997 119.600 0.008 0.000 2.184 375 M HA 0.004 4.484 4.480 0.000 0.000 0.296 375 M C 1.375 177.693 176.300 0.030 0.000 1.165 375 M CA 0.634 55.956 55.300 0.038 0.000 1.175 375 M CB -0.258 32.381 32.600 0.066 0.000 1.392 375 M HN 0.888 nan 8.290 nan 0.000 0.457 376 H N 0.218 119.257 119.070 -0.052 0.000 2.326 376 H HA -0.025 4.531 4.556 0.000 0.000 0.301 376 H C 0.054 175.359 175.328 -0.039 0.000 1.081 376 H CA 1.375 57.380 56.048 -0.073 0.000 1.334 376 H CB 0.488 30.175 29.762 -0.125 0.000 1.385 376 H HN 0.510 nan 8.280 nan 0.000 0.504 377 S N -0.521 115.094 115.700 -0.143 0.000 2.733 377 S HA 0.276 4.746 4.470 0.000 0.000 0.294 377 S C 0.762 175.318 174.600 -0.073 0.000 1.149 377 S CA -0.813 57.282 58.200 -0.176 0.000 1.034 377 S CB 0.968 64.099 63.200 -0.114 0.000 1.015 377 S HN 0.344 nan 8.310 nan 0.000 0.486 378 I N 4.237 124.757 120.570 -0.083 0.000 2.439 378 I HA 0.045 4.215 4.170 0.000 0.000 0.251 378 I C 2.522 178.612 176.117 -0.044 0.000 1.139 378 I CA 1.179 62.431 61.300 -0.079 0.000 1.438 378 I CB -0.406 37.551 38.000 -0.071 0.000 1.085 378 I HN 0.871 nan 8.210 nan 0.000 0.427 379 G N 1.157 109.948 108.800 -0.015 0.000 2.469 379 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 379 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 379 G C 1.621 176.564 174.900 0.071 0.000 1.150 379 G CA 0.600 45.718 45.100 0.030 0.000 0.763 379 G HN 0.317 nan 8.290 nan 0.000 0.561 380 L N 0.130 121.398 121.223 0.075 0.000 2.465 380 L HA 0.156 4.496 4.340 0.000 0.000 0.224 380 L C 2.593 179.550 176.870 0.145 0.000 1.145 380 L CA 0.086 55.009 54.840 0.138 0.000 0.834 380 L CB -0.183 41.990 42.059 0.189 0.000 0.944 380 L HN 0.253 nan 8.230 nan 0.000 0.451 381 I N -0.518 120.049 120.570 -0.005 0.000 2.406 381 I HA -0.234 3.936 4.170 0.000 0.000 0.249 381 I C 2.365 178.562 176.117 0.132 0.000 1.122 381 I CA 0.976 62.192 61.300 -0.139 0.000 1.431 381 I CB -0.321 37.405 38.000 -0.457 0.000 1.087 381 I HN 0.375 nan 8.210 nan 0.000 0.424 382 N N 0.779 119.533 118.700 0.089 0.000 2.135 382 N HA -0.177 4.563 4.740 0.000 0.000 0.186 382 N C 2.002 177.685 175.510 0.289 0.000 1.027 382 N CA 2.151 55.275 53.050 0.122 0.000 0.849 382 N CB 0.108 38.666 38.487 0.117 0.000 1.002 382 N HN 0.379 nan 8.380 nan 0.000 0.425 383 T N -2.107 112.622 114.554 0.292 0.000 2.867 383 T HA -0.173 4.177 4.350 0.000 0.000 0.268 383 T C 1.867 176.772 174.700 0.342 0.000 1.057 383 T CA 1.298 63.593 62.100 0.325 0.000 1.136 383 T CB -0.779 68.219 68.868 0.218 0.000 0.874 383 T HN 0.382 nan 8.240 nan 0.000 0.466 384 H N -0.472 118.736 119.070 0.230 0.000 2.290 384 H HA -0.100 4.456 4.556 0.000 0.000 0.298 384 H C 2.054 177.514 175.328 0.220 0.000 1.087 384 H CA 1.540 57.745 56.048 0.261 0.000 1.291 384 H CB -0.348 29.670 29.762 0.426 0.000 1.369 384 H HN 0.417 nan 8.280 nan 0.000 0.492 385 F N 0.293 120.251 119.950 0.014 0.000 2.091 385 F HA -0.278 4.249 4.527 0.000 0.000 0.299 385 F C 1.723 177.239 175.800 -0.474 0.000 1.103 385 F CA 1.891 59.456 58.000 -0.725 0.000 1.228 385 F CB -0.580 37.767 39.000 -1.087 0.000 0.984 385 F HN 0.231 nan 8.300 nan 0.000 0.477 386 W N 0.487 121.790 121.300 0.005 0.000 2.381 386 W HA -0.083 4.577 4.660 -0.000 0.000 0.301 386 W C 2.327 178.800 176.519 -0.076 0.000 1.205 386 W CA 1.007 58.316 57.345 -0.059 0.000 1.285 386 W CB -0.590 28.932 29.460 0.103 0.000 1.133 386 W HN -0.009 nan 8.180 nan 0.000 0.521 387 L N 0.046 121.394 121.223 0.208 0.000 2.042 387 L HA -0.255 4.085 4.340 0.000 0.000 0.210 387 L C 2.638 179.542 176.870 0.057 0.000 1.076 387 L CA 1.458 56.381 54.840 0.138 0.000 0.749 387 L CB -1.341 40.790 42.059 0.120 0.000 0.893 387 L HN 0.019 nan 8.230 nan 0.000 0.432 388 A N -0.608 122.173 122.820 -0.066 0.000 1.930 388 A HA -0.161 4.159 4.320 0.000 0.000 0.217 388 A C 2.353 179.938 177.584 0.002 0.000 1.175 388 A CA 2.196 54.119 52.037 -0.190 0.000 0.627 388 A CB -0.752 18.072 19.000 -0.293 0.000 0.815 388 A HN 0.401 nan 8.150 nan 0.000 0.443 389 T N 0.651 115.063 114.554 -0.237 0.000 2.698 389 T HA -0.057 4.293 4.350 0.000 0.000 0.260 389 T C 1.858 176.605 174.700 0.078 0.000 1.044 389 T CA 1.305 63.314 62.100 -0.151 0.000 1.149 389 T CB -0.325 68.271 68.868 -0.453 0.000 0.864 389 T HN 0.305 nan 8.240 nan 0.000 0.419 390 I N 1.984 122.633 120.570 0.132 0.000 2.113 390 I HA -0.207 3.963 4.170 0.000 0.000 0.242 390 I C 2.899 179.107 176.117 0.151 0.000 1.064 390 I CA 1.954 63.350 61.300 0.160 0.000 1.320 390 I CB -2.015 36.083 38.000 0.164 0.000 1.028 390 I HN 0.350 nan 8.210 nan 0.000 0.406 391 G N 0.397 109.310 108.800 0.190 0.000 2.491 391 G HA2 -0.282 3.678 3.960 0.000 0.000 0.218 391 G HA3 -0.282 3.678 3.960 0.000 0.000 0.218 391 G C 1.690 176.713 174.900 0.206 0.000 1.180 391 G CA 1.681 46.934 45.100 0.254 0.000 0.774 391 G HN 0.366 nan 8.290 nan 0.000 0.562 392 T N 0.653 115.303 114.554 0.160 0.000 2.708 392 T HA -0.119 4.231 4.350 0.000 0.000 0.266 392 T C 2.575 177.253 174.700 -0.037 0.000 1.037 392 T CA 1.378 63.431 62.100 -0.078 0.000 1.146 392 T CB -0.351 68.319 68.868 -0.331 0.000 0.865 392 T HN 0.061 nan 8.240 nan 0.000 0.435 393 V N 1.411 121.364 119.914 0.064 0.000 2.295 393 V HA -0.140 3.980 4.120 0.000 0.000 0.246 393 V C 2.504 178.614 176.094 0.026 0.000 1.049 393 V CA 1.495 63.846 62.300 0.086 0.000 1.024 393 V CB -0.726 31.191 31.823 0.155 0.000 0.648 393 V HN 0.398 nan 8.190 nan 0.000 0.447 394 L N -1.490 119.766 121.223 0.055 0.000 2.012 394 L HA -0.256 4.084 4.340 0.000 0.000 0.210 394 L C 2.403 179.270 176.870 -0.005 0.000 1.073 394 L CA 2.250 57.104 54.840 0.024 0.000 0.748 394 L CB -0.629 41.454 42.059 0.040 0.000 0.891 394 L HN 0.356 nan 8.230 nan 0.000 0.431 395 Y N 0.423 120.656 120.300 -0.112 0.000 2.053 395 Y HA -0.356 4.194 4.550 0.000 0.000 0.277 395 Y C 2.544 178.306 175.900 -0.230 0.000 1.159 395 Y CA 1.889 59.892 58.100 -0.162 0.000 1.125 395 Y CB -0.075 38.279 38.460 -0.176 0.000 0.969 395 Y HN 0.019 nan 8.280 nan 0.000 0.492 396 I N 0.010 120.569 120.570 -0.019 0.000 2.113 396 I HA -0.454 3.716 4.170 0.000 0.000 0.242 396 I C 2.694 178.455 176.117 -0.594 0.000 1.064 396 I CA 1.442 62.502 61.300 -0.399 0.000 1.320 396 I CB -0.854 36.820 38.000 -0.542 0.000 1.028 396 I HN 0.381 nan 8.210 nan 0.000 0.406 397 A N 0.820 123.429 122.820 -0.351 0.000 1.865 397 A HA -0.275 4.045 4.320 0.000 0.000 0.217 397 A C 2.508 180.026 177.584 -0.109 0.000 1.191 397 A CA 2.684 54.615 52.037 -0.176 0.000 0.623 397 A CB -1.071 17.897 19.000 -0.053 0.000 0.826 397 A HN 0.565 nan 8.150 nan 0.000 0.444 398 S N -0.982 114.640 115.700 -0.129 0.000 2.382 398 S HA -0.161 4.309 4.470 0.000 0.000 0.228 398 S C 1.893 176.414 174.600 -0.132 0.000 1.027 398 S CA 1.798 59.915 58.200 -0.139 0.000 0.991 398 S CB -0.436 62.653 63.200 -0.186 0.000 0.823 398 S HN 0.358 nan 8.310 nan 0.000 0.469 399 M N -0.055 119.474 119.600 -0.119 0.000 2.200 399 M HA 0.093 4.573 4.480 0.000 0.000 0.265 399 M C 1.862 178.184 176.300 0.037 0.000 1.066 399 M CA 0.692 55.974 55.300 -0.030 0.000 1.127 399 M CB -1.415 31.226 32.600 0.070 0.000 1.379 399 M HN 0.437 nan 8.290 nan 0.000 0.420 400 W N 0.417 121.640 121.300 -0.129 0.000 2.355 400 W HA -0.098 4.562 4.660 0.000 0.000 0.309 400 W C 2.518 178.854 176.519 -0.304 0.000 1.206 400 W CA 0.687 57.839 57.345 -0.321 0.000 1.284 400 W CB -1.602 27.670 29.460 -0.314 0.000 1.145 400 W HN -0.002 nan 8.180 nan 0.000 0.502 401 V N 1.255 121.179 119.914 0.017 0.000 2.231 401 V HA -0.377 3.743 4.120 0.000 0.000 0.248 401 V C 2.172 178.173 176.094 -0.155 0.000 1.054 401 V CA 2.467 64.715 62.300 -0.087 0.000 1.015 401 V CB -1.200 30.569 31.823 -0.091 0.000 0.638 401 V HN 0.082 nan 8.190 nan 0.000 0.444 402 N N 0.609 119.207 118.700 -0.170 0.000 2.061 402 N HA -0.141 4.599 4.740 0.000 0.000 0.193 402 N C 1.823 177.211 175.510 -0.204 0.000 1.030 402 N CA 1.756 54.666 53.050 -0.233 0.000 0.856 402 N CB -0.911 37.426 38.487 -0.250 0.000 1.023 402 N HN 0.503 nan 8.380 nan 0.000 0.424 403 G N 0.939 109.685 108.800 -0.091 0.000 2.421 403 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 403 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 403 G C 1.381 176.217 174.900 -0.107 0.000 1.171 403 G CA 0.546 45.642 45.100 -0.008 0.000 0.775 403 G HN 0.159 nan 8.290 nan 0.000 0.543 404 I N 2.015 122.464 120.570 -0.202 0.000 2.179 404 I HA -0.111 4.059 4.170 0.000 0.000 0.242 404 I C 3.299 179.277 176.117 -0.233 0.000 1.088 404 I CA 1.020 62.187 61.300 -0.221 0.000 1.357 404 I CB -1.441 36.396 38.000 -0.273 0.000 1.051 404 I HN 0.261 nan 8.210 nan 0.000 0.409 405 A N 0.249 122.909 122.820 -0.266 0.000 1.892 405 A HA -0.287 4.033 4.320 0.000 0.000 0.218 405 A C 2.295 179.612 177.584 -0.446 0.000 1.188 405 A CA 1.982 53.826 52.037 -0.322 0.000 0.631 405 A CB -0.752 18.055 19.000 -0.321 0.000 0.822 405 A HN 0.508 nan 8.150 nan 0.000 0.447 406 Q N -1.033 118.433 119.800 -0.555 0.000 1.967 406 Q HA -0.053 4.287 4.340 0.000 0.000 0.202 406 Q C 2.352 177.726 176.000 -1.043 0.000 0.985 406 Q CA 1.395 56.587 55.803 -1.019 0.000 0.839 406 Q CB -0.650 27.432 28.738 -1.093 0.000 0.906 406 Q HN 0.660 nan 8.270 nan 0.000 0.423 407 G N 1.298 109.753 108.800 -0.576 0.000 2.529 407 G HA2 -0.326 3.634 3.960 0.000 0.000 0.219 407 G HA3 -0.326 3.634 3.960 0.000 0.000 0.219 407 G C 1.396 176.254 174.900 -0.070 0.000 1.177 407 G CA 1.140 46.139 45.100 -0.168 0.000 0.773 407 G HN 0.298 nan 8.290 nan 0.000 0.573 408 L N -0.259 120.888 121.223 -0.126 0.000 1.976 408 L HA -0.032 4.308 4.340 0.000 0.000 0.209 408 L C 3.046 179.900 176.870 -0.026 0.000 1.071 408 L CA 1.779 56.583 54.840 -0.060 0.000 0.746 408 L CB -0.167 41.834 42.059 -0.097 0.000 0.890 408 L HN 0.262 nan 8.230 nan 0.000 0.432 409 M N -1.542 117.949 119.600 -0.182 0.000 2.149 409 M HA -0.257 4.223 4.480 0.000 0.000 0.261 409 M C 2.064 178.487 176.300 0.205 0.000 1.064 409 M CA 1.704 56.918 55.300 -0.143 0.000 1.102 409 M CB -0.486 31.798 32.600 -0.528 0.000 1.369 409 M HN 0.411 nan 8.290 nan 0.000 0.408 410 W N 1.013 122.353 121.300 0.066 0.000 2.358 410 W HA -0.134 4.526 4.660 0.000 0.000 0.303 410 W C 2.522 179.120 176.519 0.131 0.000 1.208 410 W CA 1.360 58.779 57.345 0.123 0.000 1.274 410 W CB -0.884 28.662 29.460 0.142 0.000 1.138 410 W HN 0.365 nan 8.180 nan 0.000 0.515 411 R N 0.329 121.031 120.500 0.336 0.000 2.312 411 R HA 0.450 4.790 4.340 0.000 0.000 0.205 411 R C 0.819 177.217 176.300 0.164 0.000 0.904 411 R CA 0.458 56.689 56.100 0.218 0.000 1.052 411 R CB -0.630 29.774 30.300 0.174 0.000 1.014 411 R HN -0.147 nan 8.270 nan 0.000 0.503 412 A N 2.321 125.260 122.820 0.199 0.000 2.537 412 A HA 0.207 4.527 4.320 0.000 0.000 0.260 412 A C -0.075 177.564 177.584 0.091 0.000 1.082 412 A CA 0.148 52.284 52.037 0.166 0.000 0.765 412 A CB -0.197 18.982 19.000 0.299 0.000 1.019 412 A HN 0.384 nan 8.150 nan 0.000 0.507 413 I N 3.098 123.696 120.570 0.047 0.000 2.525 413 I HA 0.207 4.377 4.170 0.000 0.000 0.301 413 I C 0.718 176.825 176.117 -0.015 0.000 0.992 413 I CA -0.532 60.777 61.300 0.015 0.000 1.162 413 I CB 1.599 39.611 38.000 0.021 0.000 1.332 413 I HN 0.748 nan 8.210 nan 0.000 0.458 414 N N 2.945 121.624 118.700 -0.034 0.000 2.418 414 N HA 0.027 4.767 4.740 0.000 0.000 0.283 414 N C 0.258 175.754 175.510 -0.025 0.000 1.267 414 N CA -0.331 52.693 53.050 -0.044 0.000 0.975 414 N CB 0.704 39.156 38.487 -0.058 0.000 1.167 414 N HN 0.624 nan 8.380 nan 0.000 0.581 415 D N -0.435 119.950 120.400 -0.025 0.000 2.264 415 D HA -0.170 4.470 4.640 0.000 0.000 0.208 415 D C 0.509 176.801 176.300 -0.014 0.000 0.966 415 D CA 1.112 55.102 54.000 -0.016 0.000 0.864 415 D CB -0.360 40.430 40.800 -0.017 0.000 0.933 415 D HN 0.544 nan 8.370 nan 0.000 0.499 416 D N -1.451 118.939 120.400 -0.016 0.000 2.388 416 D HA 0.248 4.888 4.640 0.000 0.000 0.221 416 D C 1.608 177.902 176.300 -0.010 0.000 1.133 416 D CA 0.179 54.172 54.000 -0.013 0.000 0.831 416 D CB 0.119 40.911 40.800 -0.014 0.000 0.962 416 D HN 0.281 nan 8.370 nan 0.000 0.502 417 G N 0.307 109.101 108.800 -0.009 0.000 2.253 417 G HA2 -0.311 3.649 3.960 0.000 0.000 0.251 417 G HA3 -0.311 3.649 3.960 0.000 0.000 0.251 417 G C 0.624 175.523 174.900 -0.003 0.000 0.998 417 G CA 0.539 45.637 45.100 -0.004 0.000 0.621 417 G HN 0.807 nan 8.290 nan 0.000 0.524 418 T N -0.102 114.447 114.554 -0.010 0.000 2.898 418 T HA 0.603 4.953 4.350 0.000 0.000 0.301 418 T C 0.742 175.436 174.700 -0.011 0.000 1.049 418 T CA -0.517 61.578 62.100 -0.009 0.000 1.095 418 T CB 1.562 70.420 68.868 -0.016 0.000 0.976 418 T HN 0.564 nan 8.240 nan 0.000 0.539 419 L N 2.731 123.957 121.223 0.004 0.000 2.462 419 L HA 0.132 4.472 4.340 0.000 0.000 0.272 419 L C 1.793 178.645 176.870 -0.030 0.000 1.166 419 L CA -0.331 54.521 54.840 0.020 0.000 0.880 419 L CB 0.372 42.466 42.059 0.059 0.000 1.142 419 L HN 0.924 nan 8.230 nan 0.000 0.473 420 T N 1.703 116.205 114.554 -0.086 0.000 2.857 420 T HA -0.033 4.317 4.350 0.000 0.000 0.266 420 T C -0.137 174.286 174.700 -0.461 0.000 1.048 420 T CA 1.269 63.163 62.100 -0.343 0.000 1.139 420 T CB -0.097 68.431 68.868 -0.566 0.000 0.874 420 T HN 0.288 nan 8.240 nan 0.000 0.455 421 Y N 1.076 121.411 120.300 0.059 0.000 2.462 421 Y HA 0.472 5.022 4.550 0.000 0.000 0.346 421 Y C 0.511 176.468 175.900 0.095 0.000 0.976 421 Y CA -1.533 56.605 58.100 0.062 0.000 1.044 421 Y CB 1.339 39.831 38.460 0.053 0.000 1.230 421 Y HN -0.022 nan 8.280 nan 0.000 0.455 422 S N 1.546 117.393 115.700 0.244 0.000 2.589 422 S HA 0.048 4.518 4.470 0.000 0.000 0.265 422 S C 0.678 175.430 174.600 0.253 0.000 1.342 422 S CA -0.503 57.822 58.200 0.207 0.000 1.005 422 S CB 0.453 63.744 63.200 0.150 0.000 0.909 422 S HN 0.728 nan 8.310 nan 0.000 0.555 423 F N 1.590 121.617 119.950 0.129 0.000 2.234 423 F HA -0.002 4.525 4.527 0.000 0.000 0.299 423 F C 1.985 177.874 175.800 0.150 0.000 1.087 423 F CA 1.209 59.301 58.000 0.152 0.000 1.340 423 F CB -0.336 38.686 39.000 0.036 0.000 1.031 423 F HN 0.430 nan 8.300 nan 0.000 0.500 424 V N 0.214 120.246 119.914 0.196 0.000 2.515 424 V HA -0.258 3.862 4.120 0.000 0.000 0.250 424 V C 2.138 178.230 176.094 -0.003 0.000 1.058 424 V CA 2.098 64.457 62.300 0.099 0.000 1.064 424 V CB -0.501 31.395 31.823 0.121 0.000 0.675 424 V HN 0.323 nan 8.190 nan 0.000 0.461 425 E N 0.405 120.619 120.200 0.023 0.000 2.085 425 E HA -0.213 4.137 4.350 0.000 0.000 0.194 425 E C 2.378 178.899 176.600 -0.132 0.000 0.994 425 E CA 1.670 58.065 56.400 -0.008 0.000 0.801 425 E CB -0.214 29.548 29.700 0.103 0.000 0.743 425 E HN 0.749 nan 8.360 nan 0.000 0.453 426 S N 0.953 116.541 115.700 -0.187 0.000 2.368 426 S HA -0.144 4.326 4.470 0.000 0.000 0.224 426 S C 2.075 176.480 174.600 -0.324 0.000 1.029 426 S CA 0.558 58.568 58.200 -0.318 0.000 0.988 426 S CB -0.437 62.584 63.200 -0.298 0.000 0.838 426 S HN 0.244 nan 8.310 nan 0.000 0.462 427 L N 1.210 122.249 121.223 -0.307 0.000 1.990 427 L HA -0.178 4.162 4.340 0.000 0.000 0.213 427 L C 2.817 179.614 176.870 -0.123 0.000 1.072 427 L CA 2.330 57.068 54.840 -0.170 0.000 0.755 427 L CB -0.648 41.380 42.059 -0.051 0.000 0.889 427 L HN 0.501 nan 8.230 nan 0.000 0.432 428 E N -0.487 119.650 120.200 -0.105 0.000 2.047 428 E HA -0.214 4.136 4.350 0.000 0.000 0.191 428 E C 2.164 178.686 176.600 -0.131 0.000 0.987 428 E CA 1.116 57.467 56.400 -0.083 0.000 0.799 428 E CB -0.178 29.484 29.700 -0.063 0.000 0.752 428 E HN 0.595 nan 8.360 nan 0.000 0.449 429 A N 0.910 123.618 122.820 -0.187 0.000 1.997 429 A HA -0.245 4.075 4.320 0.000 0.000 0.221 429 A C 2.238 179.645 177.584 -0.296 0.000 1.172 429 A CA 1.927 53.826 52.037 -0.231 0.000 0.645 429 A CB -0.495 18.330 19.000 -0.290 0.000 0.813 429 A HN 0.150 nan 8.150 nan 0.000 0.454 430 S N -1.544 113.915 115.700 -0.402 0.000 2.522 430 S HA -0.067 4.403 4.470 0.000 0.000 0.227 430 S C 1.701 175.788 174.600 -0.854 0.000 0.986 430 S CA 0.479 58.256 58.200 -0.705 0.000 0.929 430 S CB -0.476 62.153 63.200 -0.951 0.000 0.769 430 S HN 0.766 nan 8.310 nan 0.000 0.529 431 H N 2.367 121.138 119.070 -0.498 0.000 2.321 431 H HA -0.033 4.523 4.556 0.000 0.000 0.300 431 H C -0.979 174.194 175.328 -0.259 0.000 1.087 431 H CA 1.599 57.471 56.048 -0.295 0.000 1.319 431 H CB -0.896 28.787 29.762 -0.132 0.000 1.379 431 H HN 0.257 nan 8.280 nan 0.000 0.501 432 P HA -0.107 nan 4.420 nan 0.000 0.215 432 P C 1.735 178.874 177.300 -0.270 0.000 1.157 432 P CA 1.856 64.852 63.100 -0.174 0.000 0.868 432 P CB -0.641 30.992 31.700 -0.111 0.000 0.788 433 G N -0.725 107.869 108.800 -0.344 0.000 2.476 433 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 433 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 433 G C 1.190 175.904 174.900 -0.309 0.000 1.164 433 G CA 0.688 45.579 45.100 -0.349 0.000 0.768 433 G HN 0.118 nan 8.290 nan 0.000 0.560 434 F N 0.570 120.281 119.950 -0.398 0.000 2.202 434 F HA -0.023 4.504 4.527 0.000 0.000 0.301 434 F C 2.782 178.242 175.800 -0.566 0.000 1.082 434 F CA 0.111 57.814 58.000 -0.495 0.000 1.313 434 F CB -0.772 37.875 39.000 -0.588 0.000 1.024 434 F HN 0.012 nan 8.300 nan 0.000 0.495 435 V N -1.221 118.462 119.914 -0.386 0.000 2.379 435 V HA -0.166 3.954 4.120 0.000 0.000 0.243 435 V C 2.343 178.327 176.094 -0.183 0.000 1.035 435 V CA 1.015 63.103 62.300 -0.353 0.000 1.035 435 V CB -0.604 31.054 31.823 -0.275 0.000 0.673 435 V HN 0.096 nan 8.190 nan 0.000 0.457 436 V N 0.465 120.278 119.914 -0.169 0.000 2.332 436 V HA -0.287 3.833 4.120 0.000 0.000 0.248 436 V C 2.593 178.583 176.094 -0.174 0.000 1.055 436 V CA 2.496 64.720 62.300 -0.126 0.000 1.038 436 V CB -0.822 30.929 31.823 -0.119 0.000 0.651 436 V HN 0.507 nan 8.190 nan 0.000 0.450 437 R N -0.385 119.949 120.500 -0.278 0.000 2.081 437 R HA -0.186 4.154 4.340 0.000 0.000 0.235 437 R C 2.370 178.438 176.300 -0.387 0.000 1.131 437 R CA 1.923 57.735 56.100 -0.479 0.000 0.960 437 R CB -0.329 29.555 30.300 -0.694 0.000 0.856 437 R HN 0.426 nan 8.270 nan 0.000 0.436 438 M N 0.780 120.216 119.600 -0.273 0.000 2.108 438 M HA -0.181 4.299 4.480 0.000 0.000 0.261 438 M C 1.944 178.219 176.300 -0.042 0.000 1.066 438 M CA 1.699 56.902 55.300 -0.162 0.000 1.107 438 M CB -0.263 32.244 32.600 -0.154 0.000 1.356 438 M HN 0.238 nan 8.290 nan 0.000 0.406 439 I N -0.471 120.087 120.570 -0.019 0.000 2.315 439 I HA -0.158 4.012 4.170 0.000 0.000 0.248 439 I C 2.554 178.707 176.117 0.060 0.000 1.117 439 I CA 1.118 62.445 61.300 0.044 0.000 1.404 439 I CB -0.986 37.042 38.000 0.047 0.000 1.071 439 I HN 0.373 nan 8.210 nan 0.000 0.419 440 G N 0.679 109.487 108.800 0.014 0.000 2.459 440 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 440 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 440 G C 1.744 176.755 174.900 0.184 0.000 1.183 440 G CA 0.879 46.026 45.100 0.079 0.000 0.776 440 G HN 0.484 nan 8.290 nan 0.000 0.552 441 G N 1.029 109.922 108.800 0.155 0.000 2.418 441 G HA2 0.060 4.020 3.960 0.000 0.000 0.217 441 G HA3 0.060 4.020 3.960 0.000 0.000 0.217 441 G C 2.070 177.137 174.900 0.277 0.000 1.158 441 G CA 1.535 46.782 45.100 0.246 0.000 0.771 441 G HN 0.666 nan 8.290 nan 0.000 0.545 442 A N 0.885 123.819 122.820 0.190 0.000 1.883 442 A HA -0.039 4.281 4.320 0.000 0.000 0.217 442 A C 2.405 180.170 177.584 0.303 0.000 1.186 442 A CA 1.478 53.652 52.037 0.229 0.000 0.624 442 A CB -0.407 18.686 19.000 0.155 0.000 0.822 442 A HN 0.386 nan 8.150 nan 0.000 0.444 443 I N -2.239 118.476 120.570 0.242 0.000 2.226 443 I HA -0.227 3.943 4.170 0.000 0.000 0.245 443 I C 2.331 178.592 176.117 0.239 0.000 1.100 443 I CA 1.527 62.953 61.300 0.210 0.000 1.374 443 I CB -0.336 37.768 38.000 0.173 0.000 1.057 443 I HN 0.425 nan 8.210 nan 0.000 0.413 444 F N 1.093 121.143 119.950 0.166 0.000 2.069 444 F HA -0.328 4.199 4.527 0.000 0.000 0.298 444 F C 2.338 178.244 175.800 0.177 0.000 1.113 444 F CA 1.761 59.859 58.000 0.163 0.000 1.214 444 F CB -0.477 38.610 39.000 0.144 0.000 0.978 444 F HN 0.019 nan 8.300 nan 0.000 0.474 445 F N 0.840 120.963 119.950 0.289 0.000 2.154 445 F HA -0.210 4.317 4.527 0.000 0.000 0.301 445 F C 2.237 178.061 175.800 0.041 0.000 1.087 445 F CA 1.513 59.608 58.000 0.159 0.000 1.274 445 F CB -0.950 38.141 39.000 0.152 0.000 1.009 445 F HN 0.005 nan 8.300 nan 0.000 0.485 446 A N 0.412 123.253 122.820 0.035 0.000 1.908 446 A HA -0.079 4.241 4.320 0.000 0.000 0.218 446 A C 2.540 179.989 177.584 -0.224 0.000 1.181 446 A CA 1.725 53.701 52.037 -0.103 0.000 0.627 446 A CB -1.846 17.180 19.000 0.045 0.000 0.818 446 A HN 0.521 nan 8.150 nan 0.000 0.445 447 G N -0.926 107.751 108.800 -0.204 0.000 2.440 447 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 447 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 447 G C 1.503 175.959 174.900 -0.740 0.000 1.154 447 G CA 1.341 46.219 45.100 -0.371 0.000 0.767 447 G HN 0.333 nan 8.290 nan 0.000 0.552 448 M N 0.245 119.533 119.600 -0.520 0.000 2.149 448 M HA 0.046 4.526 4.480 0.000 0.000 0.261 448 M C 2.661 178.722 176.300 -0.399 0.000 1.064 448 M CA 0.969 56.014 55.300 -0.425 0.000 1.102 448 M CB -1.050 31.386 32.600 -0.274 0.000 1.369 448 M HN 0.228 nan 8.290 nan 0.000 0.408 449 L N -1.035 119.909 121.223 -0.466 0.000 2.046 449 L HA -0.186 4.154 4.340 0.000 0.000 0.208 449 L C 2.454 179.221 176.870 -0.171 0.000 1.077 449 L CA 0.780 55.422 54.840 -0.330 0.000 0.747 449 L CB -0.963 40.880 42.059 -0.359 0.000 0.896 449 L HN 0.049 nan 8.230 nan 0.000 0.432 450 V N -0.355 119.445 119.914 -0.191 0.000 2.392 450 V HA -0.365 3.755 4.120 0.000 0.000 0.249 450 V C 2.453 178.560 176.094 0.022 0.000 1.059 450 V CA 2.072 64.341 62.300 -0.052 0.000 1.051 450 V CB -0.485 31.303 31.823 -0.058 0.000 0.658 450 V HN 0.464 nan 8.190 nan 0.000 0.455 451 M N 0.007 119.512 119.600 -0.159 0.000 2.086 451 M HA -0.178 4.302 4.480 0.000 0.000 0.261 451 M C 2.282 178.582 176.300 0.000 0.000 1.067 451 M CA 2.283 57.569 55.300 -0.024 0.000 1.116 451 M CB -0.339 32.166 32.600 -0.158 0.000 1.348 451 M HN 0.361 nan 8.290 nan 0.000 0.407 452 A N -0.361 122.431 122.820 -0.047 0.000 1.892 452 A HA -0.290 4.030 4.320 0.000 0.000 0.218 452 A C 1.989 179.626 177.584 0.087 0.000 1.188 452 A CA 2.057 54.086 52.037 -0.013 0.000 0.631 452 A CB -1.513 17.449 19.000 -0.064 0.000 0.822 452 A HN 0.763 nan 8.150 nan 0.000 0.447 453 Y N 0.606 120.914 120.300 0.013 0.000 2.145 453 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 453 Y C 2.349 178.347 175.900 0.164 0.000 1.145 453 Y CA 2.162 60.325 58.100 0.106 0.000 1.148 453 Y CB -0.440 38.060 38.460 0.066 0.000 0.981 453 Y HN 0.508 nan 8.280 nan 0.000 0.507 454 N N -1.100 117.668 118.700 0.112 0.000 2.025 454 N HA -0.222 4.518 4.740 0.000 0.000 0.194 454 N C 1.622 177.119 175.510 -0.021 0.000 1.044 454 N CA 2.234 55.328 53.050 0.074 0.000 0.851 454 N CB -0.214 38.431 38.487 0.264 0.000 1.036 454 N HN 0.356 nan 8.380 nan 0.000 0.422 455 T N -0.170 114.391 114.554 0.011 0.000 2.624 455 T HA -0.233 4.117 4.350 0.000 0.000 0.268 455 T C 1.218 175.828 174.700 -0.150 0.000 1.041 455 T CA 1.685 63.736 62.100 -0.081 0.000 1.159 455 T CB -0.711 68.107 68.868 -0.084 0.000 0.863 455 T HN 0.509 nan 8.240 nan 0.000 0.434 456 W N 2.654 123.793 121.300 -0.269 0.000 2.335 456 W HA -0.146 4.514 4.660 0.000 0.000 0.311 456 W C 2.305 178.608 176.519 -0.361 0.000 1.213 456 W CA 0.984 58.155 57.345 -0.290 0.000 1.274 456 W CB -0.235 29.089 29.460 -0.227 0.000 1.148 456 W HN -0.047 nan 8.180 nan 0.000 0.498 457 R N -0.373 119.783 120.500 -0.574 0.000 2.096 457 R HA -0.144 4.196 4.340 0.000 0.000 0.235 457 R C 2.347 178.222 176.300 -0.709 0.000 1.127 457 R CA 2.069 57.619 56.100 -0.917 0.000 0.968 457 R CB -1.885 27.712 30.300 -1.173 0.000 0.861 457 R HN 0.449 nan 8.270 nan 0.000 0.440 458 T N -1.171 113.118 114.554 -0.442 0.000 2.985 458 T HA -0.006 4.344 4.350 0.000 0.000 0.266 458 T C 1.965 176.432 174.700 -0.388 0.000 1.076 458 T CA 0.894 62.817 62.100 -0.296 0.000 1.135 458 T CB -0.099 68.678 68.868 -0.152 0.000 0.890 458 T HN -0.039 nan 8.240 nan 0.000 0.480 459 V N 1.448 121.039 119.914 -0.539 0.000 2.667 459 V HA -0.108 4.012 4.120 0.000 0.000 0.252 459 V C 2.832 178.702 176.094 -0.374 0.000 1.065 459 V CA 1.654 63.592 62.300 -0.604 0.000 1.083 459 V CB -0.698 30.711 31.823 -0.690 0.000 0.692 459 V HN 0.565 nan 8.190 nan 0.000 0.468 460 Q N -0.107 119.395 119.800 -0.497 0.000 2.061 460 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 460 Q C 2.261 178.118 176.000 -0.238 0.000 0.984 460 Q CA 1.624 57.184 55.803 -0.404 0.000 0.846 460 Q CB -0.505 27.885 28.738 -0.579 0.000 0.902 460 Q HN 0.645 nan 8.270 nan 0.000 0.421 461 A N 1.320 124.000 122.820 -0.233 0.000 2.557 461 A HA -0.287 4.033 4.320 0.000 0.000 0.260 461 A C 0.972 178.516 177.584 -0.066 0.000 2.292 461 A CA 2.104 54.065 52.037 -0.127 0.000 1.035 461 A CB -1.428 17.514 19.000 -0.096 0.000 0.477 461 A HN 0.539 nan 8.150 nan 0.000 0.426 462 A N -2.712 120.100 122.820 -0.013 0.000 2.322 462 A HA 0.700 5.020 4.320 0.000 0.000 0.327 462 A C 0.685 178.298 177.584 0.049 0.000 1.134 462 A CA 0.048 52.095 52.037 0.017 0.000 0.831 462 A CB 1.217 20.237 19.000 0.033 0.000 1.288 462 A HN 0.500 nan 8.150 nan 0.000 0.472 463 K N -0.393 120.033 120.400 0.042 0.000 2.424 463 K HA 0.154 4.474 4.320 0.000 0.000 0.198 463 K C -1.681 174.949 176.600 0.051 0.000 1.190 463 K CA 0.260 56.577 56.287 0.051 0.000 0.935 463 K CB -0.303 32.215 32.500 0.031 0.000 1.087 463 K HN 0.517 nan 8.250 nan 0.000 0.524 464 P HA 0.301 nan 4.420 nan 0.000 0.214 464 P C -0.116 177.222 177.300 0.064 0.000 1.849 464 P CA -0.061 63.066 63.100 0.045 0.000 1.022 464 P CB 0.622 32.344 31.700 0.037 0.000 1.912 465 A N 1.558 124.422 122.820 0.073 0.000 3.002 465 A HA -0.140 4.180 4.320 0.000 0.000 0.169 465 A C 0.733 178.391 177.584 0.124 0.000 0.967 465 A CA 0.543 52.641 52.037 0.103 0.000 1.052 465 A CB -0.933 18.112 19.000 0.076 0.000 0.833 465 A HN 0.472 nan 8.150 nan 0.000 0.565 466 E N -1.965 118.306 120.200 0.119 0.000 2.359 466 E HA -0.235 4.115 4.350 0.000 0.000 0.157 466 E C -1.190 175.491 176.600 0.135 0.000 1.718 466 E CA 1.051 57.510 56.400 0.099 0.000 0.620 466 E CB -1.314 28.402 29.700 0.026 0.000 1.057 466 E HN 0.566 nan 8.360 nan 0.000 0.322 467 Y N 2.215 122.548 120.300 0.055 0.000 2.749 467 Y HA 0.336 4.886 4.550 0.000 0.000 0.343 467 Y C -0.744 175.177 175.900 0.035 0.000 1.015 467 Y CA -0.639 57.483 58.100 0.037 0.000 1.270 467 Y CB 0.853 39.354 38.460 0.067 0.000 1.097 467 Y HN 0.125 nan 8.280 nan 0.000 0.571 468 D N 3.693 123.927 120.400 -0.277 0.000 2.192 468 D HA 0.352 4.992 4.640 0.000 0.000 0.200 468 D C -0.775 175.299 176.300 -0.377 0.000 1.281 468 D CA 0.285 54.124 54.000 -0.269 0.000 0.895 468 D CB 1.057 41.724 40.800 -0.222 0.000 1.643 468 D HN 0.590 nan 8.370 nan 0.000 0.510 469 A N 2.117 124.709 122.820 -0.380 0.000 2.940 469 A HA 0.833 5.153 4.320 0.000 0.000 0.210 469 A C 1.121 178.409 177.584 -0.493 0.000 2.267 469 A CA 0.859 52.646 52.037 -0.418 0.000 1.544 469 A CB -0.936 17.869 19.000 -0.324 0.000 1.180 469 A HN 0.590 nan 8.150 nan 0.000 0.403 470 A N 0.000 122.627 122.820 -0.322 0.000 2.254 470 A HA 0.000 4.320 4.320 0.000 0.000 0.244 470 A CA 0.000 51.882 52.037 -0.258 0.000 0.836 470 A CB 0.000 18.913 19.000 -0.144 0.000 0.831 470 A HN 0.000 nan 8.150 nan 0.000 0.486