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 2zx7_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA VE 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.159 176.300 -0.235 0.000 0.893 7 R CA 0.000 56.002 56.100 -0.164 0.000 0.921 7 R CB 0.000 30.278 30.300 -0.037 0.000 0.687 8 Y N 1.432 121.736 120.300 0.005 0.000 2.299 8 Y HA 0.365 4.916 4.550 0.001 0.000 0.326 8 Y C 0.861 176.749 175.900 -0.021 0.000 1.164 8 Y CA -0.041 58.058 58.100 -0.002 0.000 1.234 8 Y CB 0.960 39.448 38.460 0.048 0.000 1.219 8 Y HN 0.082 nan 8.280 nan 0.000 0.497 9 K N 4.020 124.470 120.400 0.084 0.000 2.095 9 K HA 0.318 4.638 4.320 0.001 0.000 0.252 9 K C -2.498 174.047 176.600 -0.091 0.000 0.977 9 K CA -2.039 54.244 56.287 -0.008 0.000 0.900 9 K CB 0.823 33.299 32.500 -0.040 0.000 1.060 9 K HN 0.324 nan 8.250 nan 0.000 0.449 10 P HA 0.006 nan 4.420 nan 0.000 0.230 10 P C -1.642 175.291 177.300 -0.611 0.000 1.791 10 P CA 0.121 62.937 63.100 -0.475 0.000 1.020 10 P CB -0.737 30.566 31.700 -0.661 0.000 1.977 11 D N -1.812 118.291 120.400 -0.494 0.000 2.717 11 D HA 0.141 4.782 4.640 0.001 0.000 0.223 11 D C 0.476 176.541 176.300 -0.391 0.000 1.240 11 D CA -0.897 52.753 54.000 -0.583 0.000 0.801 11 D CB 0.081 40.673 40.800 -0.348 0.000 1.556 11 D HN -0.064 nan 8.370 nan 0.000 0.462 12 W N 0.741 121.989 121.300 -0.087 0.000 2.305 12 W HA -0.177 4.483 4.660 0.001 0.000 0.308 12 W C 2.128 178.629 176.519 -0.029 0.000 1.226 12 W CA 1.113 58.431 57.345 -0.046 0.000 1.253 12 W CB -0.191 29.258 29.460 -0.018 0.000 1.146 12 W HN 0.633 nan 8.180 nan 0.000 0.507 13 E N 0.339 120.638 120.200 0.165 0.000 2.058 13 E HA -0.271 4.079 4.350 0.001 0.000 0.194 13 E C 2.370 179.010 176.600 0.066 0.000 0.997 13 E CA 1.796 58.255 56.400 0.098 0.000 0.801 13 E CB -0.336 29.397 29.700 0.055 0.000 0.746 13 E HN 0.138 nan 8.360 nan 0.000 0.450 14 S N -0.111 115.609 115.700 0.033 0.000 2.371 14 S HA -0.072 4.398 4.470 0.001 0.000 0.224 14 S C 2.028 176.687 174.600 0.098 0.000 1.029 14 S CA 0.666 58.893 58.200 0.046 0.000 0.978 14 S CB -0.229 62.978 63.200 0.013 0.000 0.833 14 S HN 0.300 nan 8.310 nan 0.000 0.466 15 L N 1.398 122.643 121.223 0.038 0.000 2.191 15 L HA -0.050 4.291 4.340 0.001 0.000 0.212 15 L C 2.718 179.524 176.870 -0.107 0.000 1.103 15 L CA 1.450 56.240 54.840 -0.083 0.000 0.769 15 L CB -0.466 41.468 42.059 -0.208 0.000 0.908 15 L HN 0.402 nan 8.230 nan 0.000 0.438 16 R N 0.856 121.396 120.500 0.067 0.000 2.159 16 R HA -0.211 4.130 4.340 0.001 0.000 0.237 16 R C 1.829 178.170 176.300 0.067 0.000 1.131 16 R CA 1.457 57.623 56.100 0.109 0.000 0.982 16 R CB -0.211 30.133 30.300 0.074 0.000 0.868 16 R HN 0.390 nan 8.270 nan 0.000 0.453 17 E N -0.138 120.114 120.200 0.087 0.000 2.267 17 E HA -0.196 4.154 4.350 0.001 0.000 0.197 17 E C 0.083 176.744 176.600 0.101 0.000 0.998 17 E CA 0.562 57.021 56.400 0.099 0.000 0.830 17 E CB -0.191 29.594 29.700 0.142 0.000 0.751 17 E HN 0.405 nan 8.360 nan 0.000 0.491 18 H N 1.043 120.070 119.070 -0.071 0.000 2.562 18 H HA 0.143 4.700 4.556 0.001 0.000 0.314 18 H C -0.447 174.752 175.328 -0.216 0.000 1.079 18 H CA 0.173 56.032 56.048 -0.314 0.000 1.349 18 H CB 0.647 29.707 29.762 -1.171 0.000 1.432 18 H HN -0.061 nan 8.280 nan 0.000 0.479 19 T N 1.052 115.268 114.554 -0.563 0.000 2.926 19 T HA 0.230 4.580 4.350 0.001 0.000 0.289 19 T C 0.094 174.590 174.700 -0.340 0.000 1.054 19 T CA -0.960 60.961 62.100 -0.299 0.000 1.015 19 T CB 1.468 70.232 68.868 -0.173 0.000 1.167 19 T HN 0.385 nan 8.240 nan 0.000 0.526 20 V N 4.018 123.860 119.914 -0.121 0.000 2.625 20 V HA 0.187 4.307 4.120 0.001 0.000 0.305 20 V C -1.830 174.160 176.094 -0.172 0.000 1.055 20 V CA -1.104 61.148 62.300 -0.080 0.000 1.209 20 V CB -0.180 31.680 31.823 0.063 0.000 0.877 20 V HN 0.816 nan 8.190 nan 0.000 0.489 21 P HA 0.108 nan 4.420 nan 0.000 0.269 21 P C 0.433 177.601 177.300 -0.220 0.000 1.215 21 P CA -0.212 62.752 63.100 -0.227 0.000 0.780 21 P CB 0.693 32.278 31.700 -0.192 0.000 0.898 22 K N 1.342 121.703 120.400 -0.065 0.000 2.074 22 K HA -0.145 4.176 4.320 0.001 0.000 0.209 22 K C 2.096 178.716 176.600 0.033 0.000 1.048 22 K CA 2.061 58.350 56.287 0.003 0.000 0.926 22 K CB -0.429 32.116 32.500 0.074 0.000 0.713 22 K HN 0.704 nan 8.250 nan 0.000 0.444 23 W N 0.537 121.886 121.300 0.081 0.000 2.321 23 W HA -0.245 4.416 4.660 0.001 0.000 0.306 23 W C 1.670 178.232 176.519 0.071 0.000 1.217 23 W CA 0.523 57.915 57.345 0.079 0.000 1.257 23 W CB -1.175 28.339 29.460 0.089 0.000 1.145 23 W HN -0.040 nan 8.180 nan 0.000 0.509 24 F N 2.635 121.922 119.950 -1.106 0.000 2.084 24 F HA -0.182 4.345 4.527 0.001 0.000 0.296 24 F C 2.523 178.051 175.800 -0.453 0.000 1.111 24 F CA 2.472 59.770 58.000 -1.170 0.000 1.224 24 F CB -0.906 37.210 39.000 -1.474 0.000 0.991 24 F HN -0.226 nan 8.300 nan 0.000 0.471 25 D N 0.406 120.681 120.400 -0.207 0.000 2.123 25 D HA -0.208 4.433 4.640 0.001 0.000 0.196 25 D C 2.000 178.234 176.300 -0.109 0.000 0.992 25 D CA 1.433 55.361 54.000 -0.120 0.000 0.833 25 D CB -0.089 40.702 40.800 -0.016 0.000 0.954 25 D HN 0.334 nan 8.370 nan 0.000 0.455 26 K N -0.085 120.295 120.400 -0.032 0.000 2.296 26 K HA 0.057 4.378 4.320 0.001 0.000 0.200 26 K C 2.001 178.666 176.600 0.109 0.000 1.048 26 K CA 0.634 56.955 56.287 0.056 0.000 0.966 26 K CB 0.135 32.699 32.500 0.105 0.000 0.754 26 K HN 0.038 nan 8.250 nan 0.000 0.466 27 A N 1.446 124.309 122.820 0.072 0.000 1.968 27 A HA -0.153 4.167 4.320 0.001 0.000 0.217 27 A C 0.865 178.599 177.584 0.250 0.000 1.169 27 A CA 1.204 53.366 52.037 0.209 0.000 0.638 27 A CB 0.011 19.199 19.000 0.313 0.000 0.812 27 A HN 0.149 nan 8.150 nan 0.000 0.446 28 K N -3.415 117.009 120.400 0.039 0.000 3.599 28 K HA -0.254 4.067 4.320 0.001 0.000 0.317 28 K C 0.083 176.752 176.600 0.115 0.000 0.781 28 K CA 2.177 58.475 56.287 0.019 0.000 1.375 28 K CB -1.927 30.590 32.500 0.028 0.000 1.412 28 K HN 0.739 nan 8.250 nan 0.000 0.455 29 F N -0.305 119.650 119.950 0.009 0.000 2.573 29 F HA 0.541 5.068 4.527 0.001 0.000 0.316 29 F C 0.022 175.617 175.800 -0.340 0.000 1.148 29 F CA -0.216 57.720 58.000 -0.107 0.000 0.940 29 F CB 2.134 41.123 39.000 -0.018 0.000 1.214 29 F HN 0.050 nan 8.300 nan 0.000 0.448 30 G N 5.795 114.051 108.800 -0.906 0.000 2.642 30 G HA2 0.616 4.576 3.960 0.001 0.000 0.293 30 G HA3 0.616 4.576 3.960 0.001 0.000 0.293 30 G C -2.042 172.232 174.900 -1.043 0.000 1.341 30 G CA -0.784 43.377 45.100 -1.564 0.000 0.916 30 G HN 0.445 nan 8.290 nan 0.000 0.474 31 I N 1.017 121.064 120.570 -0.873 0.000 2.354 31 I HA 0.415 4.586 4.170 0.001 0.000 0.292 31 I C -0.861 175.026 176.117 -0.384 0.000 0.989 31 I CA -0.988 59.920 61.300 -0.654 0.000 1.188 31 I CB 1.315 38.711 38.000 -1.007 0.000 1.342 31 I HN 0.204 nan 8.210 nan 0.000 0.457 32 F N 6.837 126.590 119.950 -0.329 0.000 2.379 32 F HA 0.550 5.078 4.527 0.001 0.000 0.332 32 F C 0.249 175.952 175.800 -0.163 0.000 1.096 32 F CA -1.313 56.571 58.000 -0.195 0.000 1.105 32 F CB 1.134 40.087 39.000 -0.079 0.000 1.189 32 F HN 0.178 nan 8.300 nan 0.000 0.515 33 I N 4.480 125.144 120.570 0.156 0.000 2.503 33 I HA 0.139 4.309 4.170 0.001 0.000 0.282 33 I C -1.298 174.852 176.117 0.055 0.000 1.059 33 I CA -0.629 60.701 61.300 0.050 0.000 1.081 33 I CB 1.338 39.382 38.000 0.073 0.000 1.210 33 I HN 0.389 nan 8.210 nan 0.000 0.450 34 H N 5.031 124.050 119.070 -0.086 0.000 2.690 34 H HA 0.344 4.900 4.556 0.001 0.000 0.289 34 H C -1.368 174.112 175.328 0.254 0.000 1.089 34 H CA -0.130 55.885 56.048 -0.055 0.000 1.299 34 H CB 0.688 30.345 29.762 -0.175 0.000 1.405 34 H HN 0.498 nan 8.280 nan 0.000 0.463 35 W N 3.523 124.860 121.300 0.062 0.000 3.042 35 W HA 0.589 5.249 4.660 0.001 0.000 0.337 35 W C -0.569 175.710 176.519 -0.400 0.000 1.086 35 W CA -0.678 56.618 57.345 -0.083 0.000 1.236 35 W CB 1.605 31.141 29.460 0.127 0.000 1.381 35 W HN 0.715 nan 8.180 nan 0.000 0.472 36 G N 3.712 111.752 108.800 -1.267 0.000 2.428 36 G HA2 0.192 4.152 3.960 0.001 0.000 0.304 36 G HA3 0.192 4.152 3.960 0.001 0.000 0.304 36 G C 0.320 173.966 174.900 -2.090 0.000 1.303 36 G CA -0.201 43.906 45.100 -1.655 0.000 0.825 36 G HN 0.994 nan 8.290 nan 0.000 0.484 37 I N -0.975 118.653 120.570 -1.570 0.000 2.700 37 I HA -0.077 4.094 4.170 0.001 0.000 0.261 37 I C 2.067 177.670 176.117 -0.858 0.000 1.219 37 I CA 1.609 62.176 61.300 -1.221 0.000 1.463 37 I CB -0.458 36.975 38.000 -0.945 0.000 1.092 37 I HN 0.557 nan 8.210 nan 0.000 0.452 38 Y N 0.689 120.741 120.300 -0.413 0.000 2.439 38 Y HA 0.127 4.678 4.550 0.001 0.000 0.292 38 Y C 2.413 178.112 175.900 -0.335 0.000 1.130 38 Y CA 0.581 58.527 58.100 -0.257 0.000 1.254 38 Y CB -1.413 37.077 38.460 0.049 0.000 1.000 38 Y HN 0.051 nan 8.280 nan 0.000 0.554 39 S N 0.318 115.693 115.700 -0.540 0.000 2.469 39 S HA -0.118 4.353 4.470 0.001 0.000 0.238 39 S C 1.985 176.514 174.600 -0.119 0.000 0.998 39 S CA 1.126 59.222 58.200 -0.173 0.000 0.957 39 S CB -0.510 62.588 63.200 -0.170 0.000 0.764 39 S HN 0.388 nan 8.310 nan 0.000 0.514 40 V N 2.899 122.581 119.914 -0.386 0.000 2.239 40 V HA -0.071 4.049 4.120 0.001 0.000 0.242 40 V C -0.374 175.515 176.094 -0.341 0.000 1.038 40 V CA 1.415 63.535 62.300 -0.300 0.000 1.002 40 V CB -1.743 29.869 31.823 -0.352 0.000 0.641 40 V HN 0.337 nan 8.190 nan 0.000 0.449 41 P HA -0.086 nan 4.420 nan 0.000 0.220 41 P C 1.236 178.524 177.300 -0.019 0.000 1.148 41 P CA 1.646 64.470 63.100 -0.460 0.000 0.803 41 P CB -0.378 30.654 31.700 -1.113 0.000 0.782 42 G N 0.053 108.818 108.800 -0.058 0.000 2.424 42 G HA2 -0.217 3.743 3.960 0.001 0.000 0.290 42 G HA3 -0.217 3.743 3.960 0.001 0.000 0.290 42 G C -0.658 174.196 174.900 -0.077 0.000 0.912 42 G CA 0.276 45.360 45.100 -0.027 0.000 1.142 42 G HN 0.451 nan 8.290 nan 0.000 0.501 43 W N 0.036 121.275 121.300 -0.101 0.000 2.998 43 W HA 0.680 5.341 4.660 0.001 0.000 0.335 43 W C -0.359 176.116 176.519 -0.073 0.000 1.110 43 W CA -0.111 57.133 57.345 -0.169 0.000 1.230 43 W CB 1.629 30.903 29.460 -0.309 0.000 1.405 43 W HN 0.796 nan 8.180 nan 0.000 0.493 44 A N 2.052 124.384 122.820 -0.812 0.000 2.612 44 A HA 0.649 4.969 4.320 0.001 0.000 0.293 44 A C -0.656 176.195 177.584 -1.221 0.000 1.075 44 A CA -0.655 50.930 52.037 -0.752 0.000 0.680 44 A CB 1.109 19.907 19.000 -0.336 0.000 1.279 44 A HN 0.654 nan 8.150 nan 0.000 0.411 45 T N 0.907 114.942 114.554 -0.864 0.000 2.723 45 T HA 0.530 4.880 4.350 0.001 0.000 0.297 45 T C -2.300 172.076 174.700 -0.541 0.000 0.925 45 T CA -1.575 60.120 62.100 -0.674 0.000 1.030 45 T CB 0.668 69.310 68.868 -0.377 0.000 0.905 45 T HN 0.375 nan 8.240 nan 0.000 0.502 46 P HA 0.100 nan 4.420 nan 0.000 0.235 46 P C 0.832 177.902 177.300 -0.383 0.000 1.720 46 P CA -0.226 62.538 63.100 -0.560 0.000 1.003 46 P CB -0.362 30.756 31.700 -0.969 0.000 1.968 47 T N -0.524 113.822 114.554 -0.346 0.000 2.759 47 T HA 0.073 4.424 4.350 0.001 0.000 0.269 47 T C 1.158 175.762 174.700 -0.159 0.000 1.042 47 T CA 1.624 63.575 62.100 -0.248 0.000 1.140 47 T CB -0.247 68.434 68.868 -0.311 0.000 0.864 47 T HN 0.557 nan 8.240 nan 0.000 0.455 48 G N -0.039 108.661 108.800 -0.166 0.000 2.343 48 G HA2 0.308 4.268 3.960 0.001 0.000 0.289 48 G HA3 0.308 4.268 3.960 0.001 0.000 0.289 48 G C -2.103 172.777 174.900 -0.033 0.000 1.295 48 G CA -1.072 43.997 45.100 -0.052 0.000 0.869 48 G HN 0.218 nan 8.290 nan 0.000 0.522 49 E N -0.363 119.872 120.200 0.059 0.000 2.301 49 E HA 0.453 4.804 4.350 0.001 0.000 0.275 49 E C 0.030 176.704 176.600 0.123 0.000 1.030 49 E CA -0.697 55.732 56.400 0.048 0.000 0.852 49 E CB 2.191 32.061 29.700 0.283 0.000 1.060 49 E HN 0.521 nan 8.360 nan 0.000 0.401 50 L N 2.486 123.671 121.223 -0.062 0.000 2.540 50 L HA 0.156 4.496 4.340 0.001 0.000 0.276 50 L C 1.101 178.012 176.870 0.067 0.000 1.212 50 L CA 1.816 56.538 54.840 -0.196 0.000 0.893 50 L CB -0.096 41.774 42.059 -0.315 0.000 1.138 50 L HN 0.815 nan 8.230 nan 0.000 0.491 51 G N 3.247 112.011 108.800 -0.060 0.000 2.232 51 G HA2 -0.233 3.728 3.960 0.001 0.000 0.226 51 G HA3 -0.233 3.728 3.960 0.001 0.000 0.226 51 G C 0.966 175.854 174.900 -0.020 0.000 0.996 51 G CA 0.310 45.427 45.100 0.030 0.000 0.626 51 G HN 0.599 nan 8.290 nan 0.000 0.509 52 K N -0.217 120.193 120.400 0.016 0.000 2.391 52 K HA 0.399 4.720 4.320 0.001 0.000 0.197 52 K C 0.575 177.182 176.600 0.011 0.000 1.087 52 K CA 0.247 56.514 56.287 -0.032 0.000 1.012 52 K CB 1.741 34.219 32.500 -0.036 0.000 0.925 52 K HN 0.277 nan 8.250 nan 0.000 0.547 53 V N 5.034 124.985 119.914 0.061 0.000 2.509 53 V HA 0.165 4.286 4.120 0.001 0.000 0.284 53 V C -2.221 173.914 176.094 0.068 0.000 1.047 53 V CA -1.847 60.509 62.300 0.093 0.000 0.952 53 V CB 1.129 33.086 31.823 0.222 0.000 0.988 53 V HN 0.096 nan 8.190 nan 0.000 0.469 54 P HA 0.136 nan 4.420 nan 0.000 0.267 54 P C 0.534 177.890 177.300 0.092 0.000 1.209 54 P CA -0.247 62.886 63.100 0.055 0.000 0.763 54 P CB 0.649 32.381 31.700 0.052 0.000 0.816 55 M N 1.345 120.984 119.600 0.066 0.000 2.632 55 M HA -0.068 4.412 4.480 0.001 0.000 0.256 55 M C 0.593 177.037 176.300 0.239 0.000 1.080 55 M CA 1.168 56.521 55.300 0.087 0.000 1.084 55 M CB -1.084 31.527 32.600 0.019 0.000 1.439 55 M HN 0.292 nan 8.290 nan 0.000 0.509 56 D N -0.103 120.452 120.400 0.259 0.000 2.355 56 D HA 0.150 4.791 4.640 0.001 0.000 0.218 56 D C 1.596 178.135 176.300 0.398 0.000 1.004 56 D CA 0.535 54.781 54.000 0.411 0.000 0.880 56 D CB 0.467 41.440 40.800 0.288 0.000 0.911 56 D HN 0.337 nan 8.370 nan 0.000 0.528 57 A N -0.409 122.578 122.820 0.278 0.000 2.066 57 A HA 0.024 4.345 4.320 0.001 0.000 0.198 57 A C 1.844 179.535 177.584 0.179 0.000 1.405 57 A CA -0.274 51.916 52.037 0.255 0.000 0.973 57 A CB -0.737 18.330 19.000 0.111 0.000 1.026 57 A HN 0.265 nan 8.150 nan 0.000 0.474 58 W N 1.039 122.250 121.300 -0.150 0.000 2.277 58 W HA -0.308 4.353 4.660 0.001 0.000 0.327 58 W C 1.203 177.356 176.519 -0.610 0.000 1.284 58 W CA 2.283 59.362 57.345 -0.444 0.000 1.277 58 W CB -0.801 28.263 29.460 -0.660 0.000 1.141 58 W HN 0.358 nan 8.180 nan 0.000 0.482 59 F N -0.892 118.957 119.950 -0.169 0.000 2.604 59 F HA -0.079 4.448 4.527 0.001 0.000 0.298 59 F C 1.972 177.446 175.800 -0.543 0.000 1.131 59 F CA 0.974 58.726 58.000 -0.413 0.000 1.457 59 F CB -0.910 37.810 39.000 -0.466 0.000 1.095 59 F HN -0.246 nan 8.300 nan 0.000 0.574 60 F N -0.615 119.267 119.950 -0.114 0.000 2.698 60 F HA 0.079 4.606 4.527 0.001 0.000 0.295 60 F C 0.858 176.580 175.800 -0.130 0.000 1.124 60 F CA 0.496 58.438 58.000 -0.096 0.000 1.426 60 F CB 0.030 38.981 39.000 -0.082 0.000 1.120 60 F HN -0.113 nan 8.300 nan 0.000 0.583 61 Q N 0.114 119.840 119.800 -0.124 0.000 2.632 61 Q HA 0.117 4.457 4.340 0.001 0.000 0.352 61 Q C -0.765 174.936 176.000 -0.498 0.000 0.821 61 Q CA -0.373 55.304 55.803 -0.210 0.000 1.060 61 Q CB 0.312 28.950 28.738 -0.167 0.000 1.429 61 Q HN -0.035 nan 8.270 nan 0.000 0.391 62 N N 3.236 121.601 118.700 -0.557 0.000 2.434 62 N HA 0.016 4.757 4.740 0.001 0.000 0.268 62 N C -1.507 173.587 175.510 -0.693 0.000 1.256 62 N CA -1.051 51.468 53.050 -0.885 0.000 0.914 62 N CB 0.991 39.147 38.487 -0.551 0.000 1.088 62 N HN 0.229 nan 8.380 nan 0.000 0.478 63 P HA -0.031 nan 4.420 nan 0.000 0.241 63 P C -0.401 176.799 177.300 -0.166 0.000 1.191 63 P CA 0.546 63.323 63.100 -0.538 0.000 0.771 63 P CB 0.160 31.510 31.700 -0.584 0.000 0.929 64 Y N 0.906 121.014 120.300 -0.319 0.000 2.556 64 Y HA 0.361 4.912 4.550 0.001 0.000 0.352 64 Y C 1.892 177.830 175.900 0.064 0.000 1.006 64 Y CA -1.604 56.484 58.100 -0.019 0.000 1.277 64 Y CB -0.119 38.434 38.460 0.155 0.000 1.136 64 Y HN -0.034 nan 8.280 nan 0.000 0.523 65 A N 3.049 125.952 122.820 0.139 0.000 2.019 65 A HA -0.147 4.174 4.320 0.001 0.000 0.219 65 A C 1.997 179.694 177.584 0.189 0.000 1.164 65 A CA 1.335 53.465 52.037 0.155 0.000 0.644 65 A CB -0.256 18.779 19.000 0.059 0.000 0.805 65 A HN 0.696 nan 8.150 nan 0.000 0.449 66 E N -1.157 119.040 120.200 -0.005 0.000 2.463 66 E HA -0.205 4.146 4.350 0.001 0.000 0.201 66 E C 0.661 177.196 176.600 -0.108 0.000 1.045 66 E CA 0.587 56.620 56.400 -0.611 0.000 0.872 66 E CB -0.488 28.453 29.700 -1.265 0.000 0.797 66 E HN 0.792 nan 8.360 nan 0.000 0.538 67 W N 0.500 121.893 121.300 0.156 0.000 3.400 67 W HA 0.226 4.887 4.660 0.001 0.000 0.347 67 W C 1.455 178.129 176.519 0.258 0.000 1.218 67 W CA -0.871 56.710 57.345 0.393 0.000 1.837 67 W CB -0.628 29.089 29.460 0.427 0.000 1.067 67 W HN 0.100 nan 8.180 nan 0.000 0.701 68 Y N 1.443 121.909 120.300 0.276 0.000 2.069 68 Y HA -0.402 4.149 4.550 0.001 0.000 0.278 68 Y C 2.545 178.467 175.900 0.037 0.000 1.175 68 Y CA 2.695 60.926 58.100 0.218 0.000 1.134 68 Y CB -0.262 38.387 38.460 0.314 0.000 0.965 68 Y HN 0.085 nan 8.280 nan 0.000 0.498 69 E N -0.221 119.989 120.200 0.017 0.000 2.085 69 E HA -0.320 4.031 4.350 0.001 0.000 0.194 69 E C 2.020 178.349 176.600 -0.452 0.000 0.994 69 E CA 1.513 57.651 56.400 -0.437 0.000 0.801 69 E CB -0.379 28.694 29.700 -1.046 0.000 0.743 69 E HN 0.572 nan 8.360 nan 0.000 0.453 70 N N -0.210 118.075 118.700 -0.691 0.000 2.084 70 N HA -0.132 4.608 4.740 0.001 0.000 0.190 70 N C 1.765 177.103 175.510 -0.286 0.000 1.030 70 N CA 1.960 54.551 53.050 -0.766 0.000 0.849 70 N CB -0.084 37.903 38.487 -0.834 0.000 1.012 70 N HN -0.018 nan 8.380 nan 0.000 0.423 71 S N -0.028 115.604 115.700 -0.114 0.000 2.368 71 S HA -0.093 4.378 4.470 0.001 0.000 0.225 71 S C 1.688 176.234 174.600 -0.090 0.000 1.030 71 S CA 0.732 58.889 58.200 -0.071 0.000 0.999 71 S CB -0.440 62.744 63.200 -0.028 0.000 0.844 71 S HN 0.350 nan 8.310 nan 0.000 0.459 72 L N 2.027 123.152 121.223 -0.163 0.000 2.131 72 L HA 0.034 4.374 4.340 0.001 0.000 0.210 72 L C 2.018 178.918 176.870 0.050 0.000 1.092 72 L CA 1.588 56.376 54.840 -0.087 0.000 0.759 72 L CB -0.435 41.520 42.059 -0.173 0.000 0.903 72 L HN 0.113 nan 8.230 nan 0.000 0.435 73 R N -0.740 119.716 120.500 -0.074 0.000 2.235 73 R HA 0.107 4.448 4.340 0.001 0.000 0.213 73 R C 0.321 176.582 176.300 -0.066 0.000 1.059 73 R CA 0.317 56.373 56.100 -0.074 0.000 0.997 73 R CB -0.158 30.029 30.300 -0.189 0.000 0.884 73 R HN 0.314 nan 8.270 nan 0.000 0.462 74 I N 2.466 122.998 120.570 -0.063 0.000 2.269 74 I HA 0.054 4.225 4.170 0.001 0.000 0.293 74 I C 0.204 176.278 176.117 -0.072 0.000 1.106 74 I CA -0.371 60.891 61.300 -0.062 0.000 1.248 74 I CB 0.672 38.632 38.000 -0.067 0.000 1.444 74 I HN -0.043 nan 8.210 nan 0.000 0.497 75 K N 6.673 126.930 120.400 -0.240 0.000 2.489 75 K HA -0.028 4.292 4.320 0.001 0.000 0.278 75 K C 0.171 176.470 176.600 -0.500 0.000 1.000 75 K CA 0.361 56.225 56.287 -0.705 0.000 1.012 75 K CB 0.312 32.380 32.500 -0.721 0.000 0.903 75 K HN 0.562 nan 8.250 nan 0.000 0.485 76 E N 0.818 120.666 120.200 -0.586 0.000 2.271 76 E HA -0.205 4.145 4.350 0.001 0.000 0.223 76 E C -1.107 175.527 176.600 0.057 0.000 1.223 76 E CA 0.728 57.050 56.400 -0.130 0.000 0.704 76 E CB -1.422 28.152 29.700 -0.210 0.000 1.194 76 E HN 0.673 nan 8.360 nan 0.000 0.375 77 S N -2.117 113.686 115.700 0.172 0.000 2.638 77 S HA 0.620 5.091 4.470 0.001 0.000 0.302 77 S C -2.085 172.650 174.600 0.225 0.000 1.096 77 S CA -1.708 56.605 58.200 0.188 0.000 0.953 77 S CB 2.406 65.704 63.200 0.163 0.000 1.107 77 S HN -0.252 nan 8.310 nan 0.000 0.503 78 P HA -0.101 nan 4.420 nan 0.000 0.216 78 P C 1.400 178.831 177.300 0.218 0.000 1.153 78 P CA 1.737 65.004 63.100 0.278 0.000 0.858 78 P CB -0.345 31.578 31.700 0.372 0.000 0.789 79 T N -1.987 112.707 114.554 0.234 0.000 2.699 79 T HA -0.222 4.129 4.350 0.001 0.000 0.268 79 T C 1.408 176.121 174.700 0.021 0.000 1.036 79 T CA 1.399 63.520 62.100 0.034 0.000 1.147 79 T CB -1.046 67.787 68.868 -0.058 0.000 0.862 79 T HN 0.222 nan 8.240 nan 0.000 0.446 80 W N 2.159 123.437 121.300 -0.037 0.000 2.333 80 W HA -0.129 4.531 4.660 0.001 0.000 0.316 80 W C 2.304 178.847 176.519 0.041 0.000 1.215 80 W CA 1.211 58.559 57.345 0.006 0.000 1.278 80 W CB -0.104 29.361 29.460 0.008 0.000 1.154 80 W HN 0.119 nan 8.180 nan 0.000 0.486 81 E N -0.598 119.768 120.200 0.277 0.000 2.038 81 E HA -0.307 4.044 4.350 0.001 0.000 0.195 81 E C 1.864 178.389 176.600 -0.126 0.000 1.000 81 E CA 1.870 58.331 56.400 0.101 0.000 0.803 81 E CB -1.442 28.367 29.700 0.181 0.000 0.750 81 E HN 0.471 nan 8.360 nan 0.000 0.448 82 Y N 1.218 121.340 120.300 -0.297 0.000 2.081 82 Y HA -0.313 4.237 4.550 0.001 0.000 0.280 82 Y C 2.551 178.250 175.900 -0.335 0.000 1.163 82 Y CA 2.437 60.237 58.100 -0.501 0.000 1.135 82 Y CB -0.659 37.121 38.460 -1.134 0.000 0.970 82 Y HN 0.217 nan 8.280 nan 0.000 0.498 83 H N -0.859 118.039 119.070 -0.287 0.000 2.321 83 H HA -0.142 4.414 4.556 0.001 0.000 0.300 83 H C 2.178 177.321 175.328 -0.308 0.000 1.087 83 H CA 2.514 58.480 56.048 -0.136 0.000 1.319 83 H CB -0.506 29.254 29.762 -0.003 0.000 1.379 83 H HN 0.214 nan 8.280 nan 0.000 0.501 84 V N 0.679 120.320 119.914 -0.455 0.000 2.407 84 V HA -0.221 3.900 4.120 0.001 0.000 0.248 84 V C 2.201 178.031 176.094 -0.439 0.000 1.055 84 V CA 2.154 64.143 62.300 -0.518 0.000 1.049 84 V CB -0.364 31.000 31.823 -0.767 0.000 0.662 84 V HN 0.413 nan 8.190 nan 0.000 0.455 85 K N -0.591 119.542 120.400 -0.446 0.000 2.217 85 K HA -0.065 4.255 4.320 0.001 0.000 0.202 85 K C 2.058 178.347 176.600 -0.519 0.000 1.051 85 K CA 1.555 57.600 56.287 -0.402 0.000 0.952 85 K CB -0.103 32.195 32.500 -0.338 0.000 0.736 85 K HN 0.481 nan 8.250 nan 0.000 0.453 86 T N -0.945 113.154 114.554 -0.758 0.000 3.033 86 T HA 0.037 4.387 4.350 0.001 0.000 0.248 86 T C 1.092 175.139 174.700 -1.089 0.000 1.040 86 T CA 0.734 62.242 62.100 -0.987 0.000 1.133 86 T CB 0.027 68.041 68.868 -1.423 0.000 0.895 86 T HN 0.181 nan 8.240 nan 0.000 0.465 87 Y N 0.765 120.657 120.300 -0.681 0.000 2.526 87 Y HA 0.482 5.032 4.550 0.001 0.000 0.265 87 Y C 1.426 177.015 175.900 -0.519 0.000 1.092 87 Y CA 0.083 57.708 58.100 -0.793 0.000 1.277 87 Y CB 0.784 38.379 38.460 -1.442 0.000 1.228 87 Y HN 0.359 nan 8.280 nan 0.000 0.507 88 G N 0.915 109.501 108.800 -0.355 0.000 2.662 88 G HA2 -0.219 3.741 3.960 0.001 0.000 0.686 88 G HA3 -0.219 3.741 3.960 0.001 0.000 0.686 88 G C -0.023 174.818 174.900 -0.099 0.000 1.271 88 G CA -0.161 44.829 45.100 -0.184 0.000 0.816 88 G HN 0.232 nan 8.290 nan 0.000 0.608 89 E N -0.424 119.744 120.200 -0.054 0.000 2.216 89 E HA -0.065 4.286 4.350 0.001 0.000 0.192 89 E C 1.806 178.471 176.600 0.109 0.000 0.988 89 E CA 0.765 57.179 56.400 0.023 0.000 0.834 89 E CB 0.061 29.773 29.700 0.021 0.000 0.772 89 E HN 0.364 nan 8.360 nan 0.000 0.479 90 N N -0.043 118.714 118.700 0.095 0.000 2.410 90 N HA -0.033 4.708 4.740 0.001 0.000 0.231 90 N C -1.364 174.212 175.510 0.111 0.000 1.172 90 N CA 0.031 53.130 53.050 0.081 0.000 0.849 90 N CB -0.222 38.291 38.487 0.043 0.000 1.116 90 N HN 0.018 nan 8.380 nan 0.000 0.485 91 F N 0.870 120.832 119.950 0.020 0.000 2.532 91 F HA 0.347 4.875 4.527 0.001 0.000 0.365 91 F C -0.533 175.310 175.800 0.070 0.000 1.112 91 F CA -1.074 56.921 58.000 -0.009 0.000 1.082 91 F CB 0.601 39.561 39.000 -0.066 0.000 1.319 91 F HN -0.079 nan 8.300 nan 0.000 0.457 92 E N 3.560 123.747 120.200 -0.022 0.000 2.390 92 E HA -0.012 4.339 4.350 0.001 0.000 0.261 92 E C 0.463 177.088 176.600 0.042 0.000 1.076 92 E CA -0.129 56.298 56.400 0.046 0.000 0.905 92 E CB 0.388 30.067 29.700 -0.037 0.000 0.984 92 E HN 0.684 nan 8.360 nan 0.000 0.427 93 Y N 2.077 122.420 120.300 0.072 0.000 2.114 93 Y HA -0.312 4.239 4.550 0.001 0.000 0.282 93 Y C 1.362 177.350 175.900 0.147 0.000 1.165 93 Y CA 2.351 60.565 58.100 0.190 0.000 1.148 93 Y CB -0.027 38.593 38.460 0.267 0.000 0.972 93 Y HN 0.578 nan 8.280 nan 0.000 0.504 94 E N 0.401 120.642 120.200 0.068 0.000 2.267 94 E HA -0.214 4.137 4.350 0.001 0.000 0.197 94 E C 1.985 178.534 176.600 -0.085 0.000 0.998 94 E CA 1.379 57.814 56.400 0.059 0.000 0.830 94 E CB -0.348 29.361 29.700 0.016 0.000 0.751 94 E HN 0.456 nan 8.360 nan 0.000 0.491 95 K N -0.034 120.179 120.400 -0.312 0.000 2.281 95 K HA -0.106 4.214 4.320 0.001 0.000 0.203 95 K C 1.312 177.706 176.600 -0.342 0.000 1.046 95 K CA 0.856 56.858 56.287 -0.475 0.000 0.938 95 K CB -0.192 31.668 32.500 -1.068 0.000 0.737 95 K HN 0.191 nan 8.250 nan 0.000 0.458 96 F N 0.294 120.118 119.950 -0.210 0.000 2.365 96 F HA -0.128 4.400 4.527 0.001 0.000 0.300 96 F C 2.247 177.863 175.800 -0.307 0.000 1.090 96 F CA 0.356 58.207 58.000 -0.248 0.000 1.408 96 F CB -0.034 38.690 39.000 -0.461 0.000 1.060 96 F HN 0.126 nan 8.300 nan 0.000 0.534 97 A N -0.198 122.508 122.820 -0.190 0.000 2.015 97 A HA -0.172 4.149 4.320 0.001 0.000 0.219 97 A C 1.847 179.357 177.584 -0.124 0.000 1.163 97 A CA 1.829 53.654 52.037 -0.354 0.000 0.646 97 A CB -0.466 18.351 19.000 -0.306 0.000 0.806 97 A HN 0.244 nan 8.150 nan 0.000 0.448 98 D N -0.085 120.281 120.400 -0.057 0.000 2.213 98 D HA 0.013 4.654 4.640 0.001 0.000 0.205 98 D C 1.700 178.003 176.300 0.005 0.000 0.961 98 D CA 0.704 54.688 54.000 -0.027 0.000 0.853 98 D CB -0.100 40.677 40.800 -0.039 0.000 0.967 98 D HN 0.468 nan 8.370 nan 0.000 0.496 99 L N 0.061 121.318 121.223 0.057 0.000 2.554 99 L HA 0.069 4.410 4.340 0.001 0.000 0.226 99 L C 0.712 177.664 176.870 0.137 0.000 1.137 99 L CA -0.096 54.817 54.840 0.121 0.000 0.863 99 L CB -0.220 41.978 42.059 0.233 0.000 0.985 99 L HN -0.111 nan 8.230 nan 0.000 0.451 100 F N 2.474 122.344 119.950 -0.134 0.000 2.515 100 F HA 0.141 4.669 4.527 0.001 0.000 0.353 100 F C 1.333 177.031 175.800 -0.169 0.000 1.213 100 F CA -0.952 56.918 58.000 -0.218 0.000 1.194 100 F CB 0.003 38.748 39.000 -0.426 0.000 1.488 100 F HN -0.067 nan 8.300 nan 0.000 0.619 101 T N 1.682 116.148 114.554 -0.147 0.000 3.069 101 T HA 0.345 4.695 4.350 0.001 0.000 0.252 101 T C 1.328 175.910 174.700 -0.196 0.000 1.053 101 T CA 0.266 62.244 62.100 -0.203 0.000 0.964 101 T CB -0.281 68.552 68.868 -0.058 0.000 1.005 101 T HN 1.023 nan 8.240 nan 0.000 0.532 102 A N 1.687 124.413 122.820 -0.157 0.000 2.715 102 A HA -0.291 4.029 4.320 0.001 0.000 0.301 102 A C 1.419 179.085 177.584 0.136 0.000 1.515 102 A CA 1.565 53.634 52.037 0.054 0.000 0.816 102 A CB -2.402 16.501 19.000 -0.162 0.000 1.004 102 A HN 0.734 nan 8.150 nan 0.000 0.483 103 E N -0.075 120.184 120.200 0.097 0.000 2.147 103 E HA -0.204 4.147 4.350 0.001 0.000 0.199 103 E C 1.419 178.083 176.600 0.108 0.000 1.005 103 E CA 2.276 58.727 56.400 0.085 0.000 0.810 103 E CB -0.115 29.629 29.700 0.072 0.000 0.736 103 E HN 0.707 nan 8.360 nan 0.000 0.460 104 K N -1.127 119.363 120.400 0.150 0.000 2.399 104 K HA 0.138 4.458 4.320 0.001 0.000 0.204 104 K C -1.058 175.640 176.600 0.163 0.000 1.023 104 K CA -0.399 55.966 56.287 0.129 0.000 1.127 104 K CB 0.078 32.651 32.500 0.122 0.000 0.856 104 K HN 0.143 nan 8.250 nan 0.000 0.514 105 W N 1.851 123.127 121.300 -0.041 0.000 2.253 105 W HA 0.119 4.780 4.660 0.001 0.000 0.322 105 W C -0.505 175.869 176.519 -0.243 0.000 1.342 105 W CA -0.177 57.059 57.345 -0.181 0.000 1.218 105 W CB 0.572 29.955 29.460 -0.128 0.000 1.205 105 W HN 0.011 nan 8.180 nan 0.000 0.551 106 D N 8.172 128.032 120.400 -0.900 0.000 2.336 106 D HA 0.231 4.872 4.640 0.001 0.000 0.248 106 D C -1.521 173.997 176.300 -1.304 0.000 1.326 106 D CA -2.075 51.401 54.000 -0.874 0.000 0.973 106 D CB 1.866 42.414 40.800 -0.420 0.000 1.255 106 D HN 0.102 nan 8.370 nan 0.000 0.558 107 P HA -0.184 nan 4.420 nan 0.000 0.218 107 P C 1.120 178.081 177.300 -0.566 0.000 1.148 107 P CA 1.095 63.438 63.100 -1.262 0.000 0.822 107 P CB 0.565 31.550 31.700 -1.192 0.000 0.784 108 Q N -0.116 119.416 119.800 -0.446 0.000 2.172 108 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 108 Q C 2.278 178.145 176.000 -0.222 0.000 0.964 108 Q CA 1.078 56.726 55.803 -0.258 0.000 0.855 108 Q CB -0.276 28.338 28.738 -0.207 0.000 0.918 108 Q HN 0.429 nan 8.270 nan 0.000 0.444 109 E N -0.263 119.785 120.200 -0.254 0.000 2.051 109 E HA -0.192 4.159 4.350 0.001 0.000 0.192 109 E C 1.575 178.090 176.600 -0.142 0.000 0.991 109 E CA 0.906 57.209 56.400 -0.162 0.000 0.799 109 E CB -0.033 29.590 29.700 -0.129 0.000 0.748 109 E HN 0.401 nan 8.360 nan 0.000 0.449 110 W N 0.686 121.689 121.300 -0.494 0.000 2.335 110 W HA -0.111 4.549 4.660 0.001 0.000 0.311 110 W C 2.503 178.326 176.519 -1.161 0.000 1.213 110 W CA 1.181 58.019 57.345 -0.846 0.000 1.274 110 W CB -1.039 28.048 29.460 -0.623 0.000 1.148 110 W HN 0.095 nan 8.180 nan 0.000 0.498 111 A N -0.341 122.271 122.820 -0.346 0.000 1.930 111 A HA -0.232 4.089 4.320 0.001 0.000 0.217 111 A C 1.730 179.230 177.584 -0.141 0.000 1.175 111 A CA 2.158 54.089 52.037 -0.177 0.000 0.627 111 A CB -1.054 17.926 19.000 -0.034 0.000 0.815 111 A HN 0.330 nan 8.150 nan 0.000 0.443 112 D N -0.433 119.876 120.400 -0.152 0.000 2.084 112 D HA -0.183 4.458 4.640 0.001 0.000 0.194 112 D C 1.817 178.071 176.300 -0.077 0.000 0.990 112 D CA 1.554 55.501 54.000 -0.089 0.000 0.826 112 D CB -0.224 40.525 40.800 -0.086 0.000 0.971 112 D HN 0.236 nan 8.370 nan 0.000 0.453 113 L N -0.244 120.888 121.223 -0.150 0.000 2.043 113 L HA -0.112 4.228 4.340 0.001 0.000 0.212 113 L C 2.031 178.940 176.870 0.066 0.000 1.075 113 L CA 1.754 56.541 54.840 -0.088 0.000 0.752 113 L CB -0.932 41.026 42.059 -0.170 0.000 0.891 113 L HN 0.242 nan 8.230 nan 0.000 0.432 114 F N -0.534 119.416 119.950 -0.000 0.000 2.259 114 F HA -0.138 4.390 4.527 0.001 0.000 0.298 114 F C 2.546 178.335 175.800 -0.018 0.000 1.088 114 F CA 0.832 58.809 58.000 -0.038 0.000 1.358 114 F CB -0.299 38.666 39.000 -0.059 0.000 1.040 114 F HN 0.118 nan 8.300 nan 0.000 0.505 115 K N 1.400 121.905 120.400 0.176 0.000 2.062 115 K HA -0.134 4.187 4.320 0.001 0.000 0.205 115 K C 1.845 178.515 176.600 0.116 0.000 1.051 115 K CA 1.064 57.420 56.287 0.114 0.000 0.941 115 K CB -0.004 32.537 32.500 0.068 0.000 0.719 115 K HN 0.127 nan 8.250 nan 0.000 0.440 116 K N 0.024 120.484 120.400 0.100 0.000 2.209 116 K HA -0.081 4.240 4.320 0.001 0.000 0.204 116 K C 1.839 178.530 176.600 0.152 0.000 1.048 116 K CA 1.117 57.463 56.287 0.099 0.000 0.940 116 K CB -0.020 32.520 32.500 0.067 0.000 0.729 116 K HN 0.178 nan 8.250 nan 0.000 0.451 117 A N 0.107 123.045 122.820 0.197 0.000 2.167 117 A HA 0.106 4.427 4.320 0.001 0.000 0.214 117 A C 1.532 179.378 177.584 0.437 0.000 1.151 117 A CA 1.140 53.345 52.037 0.280 0.000 0.735 117 A CB -0.307 18.870 19.000 0.296 0.000 0.802 117 A HN 0.424 nan 8.150 nan 0.000 0.467 118 G N -2.362 106.660 108.800 0.370 0.000 2.176 118 G HA2 0.124 4.085 3.960 0.001 0.000 0.232 118 G HA3 0.124 4.085 3.960 0.001 0.000 0.232 118 G C 0.409 175.614 174.900 0.508 0.000 0.986 118 G CA 0.224 45.627 45.100 0.505 0.000 0.643 118 G HN 1.548 nan 8.290 nan 0.000 0.522 119 A N -0.131 122.694 122.820 0.008 0.000 2.425 119 A HA 0.665 4.986 4.320 0.001 0.000 0.249 119 A C 1.230 178.739 177.584 -0.125 0.000 1.084 119 A CA 0.666 52.394 52.037 -0.515 0.000 0.781 119 A CB 0.466 18.991 19.000 -0.791 0.000 1.019 119 A HN 0.149 nan 8.150 nan 0.000 0.490 120 K N 0.243 120.599 120.400 -0.072 0.000 2.355 120 K HA 0.181 4.502 4.320 0.001 0.000 0.198 120 K C -0.667 176.074 176.600 0.234 0.000 1.039 120 K CA 0.584 56.940 56.287 0.115 0.000 1.075 120 K CB 0.048 32.679 32.500 0.219 0.000 0.870 120 K HN 0.805 nan 8.250 nan 0.000 0.540 121 Y N -3.204 117.098 120.300 0.004 0.000 2.609 121 Y HA 0.683 5.234 4.550 0.001 0.000 0.336 121 Y C -0.873 175.014 175.900 -0.021 0.000 1.129 121 Y CA -1.545 56.591 58.100 0.060 0.000 1.040 121 Y CB 1.241 39.834 38.460 0.222 0.000 1.310 121 Y HN -0.322 nan 8.280 nan 0.000 0.460 122 V N 3.407 123.426 119.914 0.175 0.000 2.760 122 V HA 0.546 4.666 4.120 0.001 0.000 0.309 122 V C -0.780 175.340 176.094 0.043 0.000 1.077 122 V CA -0.819 61.499 62.300 0.030 0.000 0.910 122 V CB 1.961 33.895 31.823 0.185 0.000 1.008 122 V HN 0.743 nan 8.190 nan 0.000 0.424 123 I N 6.588 127.159 120.570 0.002 0.000 2.517 123 I HA 0.388 4.559 4.170 0.001 0.000 0.280 123 I C -2.673 173.547 176.117 0.173 0.000 1.061 123 I CA -1.445 59.868 61.300 0.023 0.000 1.091 123 I CB 2.781 40.824 38.000 0.072 0.000 1.205 123 I HN 0.436 nan 8.210 nan 0.000 0.459 124 P HA 0.218 nan 4.420 nan 0.000 0.285 124 P C -0.418 176.974 177.300 0.153 0.000 1.269 124 P CA -0.394 62.830 63.100 0.207 0.000 0.844 124 P CB 1.264 33.187 31.700 0.372 0.000 1.094 125 T N -1.999 112.556 114.554 0.002 0.000 2.750 125 T HA 0.126 4.477 4.350 0.001 0.000 0.286 125 T C 1.446 176.302 174.700 0.259 0.000 0.911 125 T CA -0.036 62.043 62.100 -0.035 0.000 1.130 125 T CB -0.794 67.856 68.868 -0.363 0.000 0.873 125 T HN 0.532 nan 8.240 nan 0.000 0.536 126 T N -0.122 114.663 114.554 0.386 0.000 2.985 126 T HA 0.089 4.440 4.350 0.001 0.000 0.266 126 T C 0.540 175.588 174.700 0.580 0.000 1.076 126 T CA 0.283 62.654 62.100 0.452 0.000 1.135 126 T CB -0.057 69.001 68.868 0.317 0.000 0.890 126 T HN 0.701 nan 8.240 nan 0.000 0.480 127 K N 0.251 120.928 120.400 0.463 0.000 2.587 127 K HA 0.185 4.506 4.320 0.001 0.000 0.256 127 K C -1.642 175.073 176.600 0.192 0.000 0.974 127 K CA -0.684 55.785 56.287 0.302 0.000 0.855 127 K CB 1.436 34.081 32.500 0.242 0.000 1.292 127 K HN 0.310 nan 8.250 nan 0.000 0.444 128 H N 1.822 120.948 119.070 0.092 0.000 2.669 128 H HA 0.237 4.794 4.556 0.001 0.000 0.318 128 H C 0.822 176.034 175.328 -0.193 0.000 1.429 128 H CA -0.055 55.948 56.048 -0.075 0.000 1.460 128 H CB 1.052 30.709 29.762 -0.174 0.000 1.784 128 H HN 0.703 nan 8.280 nan 0.000 0.750 129 H N 0.318 118.995 119.070 -0.655 0.000 2.431 129 H HA -0.162 4.395 4.556 0.001 0.000 0.297 129 H C 1.357 176.112 175.328 -0.955 0.000 1.115 129 H CA 1.577 56.940 56.048 -1.142 0.000 1.277 129 H CB -0.509 27.975 29.762 -2.129 0.000 1.372 129 H HN 0.585 nan 8.280 nan 0.000 0.516 130 D N -0.462 119.825 120.400 -0.188 0.000 2.378 130 D HA 0.005 4.646 4.640 0.001 0.000 0.227 130 D C 1.718 178.313 176.300 0.491 0.000 1.012 130 D CA 0.868 55.073 54.000 0.341 0.000 0.905 130 D CB -0.643 40.560 40.800 0.671 0.000 0.895 130 D HN 0.453 nan 8.370 nan 0.000 0.532 131 G N -0.324 108.674 108.800 0.330 0.000 2.189 131 G HA2 -0.323 3.638 3.960 0.001 0.000 0.267 131 G HA3 -0.323 3.638 3.960 0.001 0.000 0.267 131 G C -0.025 175.195 174.900 0.533 0.000 0.975 131 G CA 0.201 45.563 45.100 0.438 0.000 0.644 131 G HN 0.460 nan 8.290 nan 0.000 0.537 132 F N 1.855 121.980 119.950 0.292 0.000 2.456 132 F HA 0.558 5.086 4.527 0.001 0.000 0.358 132 F C 0.817 176.592 175.800 -0.043 0.000 1.095 132 F CA -0.815 57.077 58.000 -0.180 0.000 1.216 132 F CB 0.551 39.269 39.000 -0.470 0.000 1.125 132 F HN 0.175 nan 8.300 nan 0.000 0.549 133 C N 7.482 126.258 119.300 -0.874 0.000 2.341 133 C HA 0.351 4.812 4.460 0.001 0.000 0.338 133 C C 0.921 175.581 174.990 -0.551 0.000 1.257 133 C CA -0.795 57.905 59.018 -0.529 0.000 1.883 133 C CB 0.728 28.024 27.740 -0.741 0.000 2.334 133 C HN 0.831 nan 8.230 nan 0.000 0.524 134 L N 2.453 123.699 121.223 0.038 0.000 2.653 134 L HA 0.241 4.581 4.340 0.001 0.000 0.232 134 L C 0.089 177.137 176.870 0.297 0.000 1.169 134 L CA 0.430 55.342 54.840 0.121 0.000 0.951 134 L CB -0.690 41.501 42.059 0.221 0.000 1.181 134 L HN 0.893 nan 8.230 nan 0.000 0.460 135 W N -3.290 118.009 121.300 -0.001 0.000 3.029 135 W HA 0.695 5.356 4.660 0.001 0.000 0.339 135 W C 0.607 177.156 176.519 0.050 0.000 1.198 135 W CA -1.525 55.872 57.345 0.088 0.000 1.148 135 W CB 0.650 30.255 29.460 0.242 0.000 1.451 135 W HN -0.185 nan 8.180 nan 0.000 0.564 136 G N 1.967 110.862 108.800 0.158 0.000 3.197 136 G HA2 0.253 4.214 3.960 0.001 0.000 0.257 136 G HA3 0.253 4.214 3.960 0.001 0.000 0.257 136 G C 0.054 174.838 174.900 -0.194 0.000 0.835 136 G CA -0.045 45.017 45.100 -0.063 0.000 2.001 136 G HN 0.612 nan 8.290 nan 0.000 0.625 137 T N 0.250 114.383 114.554 -0.700 0.000 2.937 137 T HA 0.067 4.418 4.350 0.001 0.000 0.316 137 T C 1.667 176.186 174.700 -0.303 0.000 1.079 137 T CA 0.074 61.843 62.100 -0.552 0.000 1.131 137 T CB 0.408 68.761 68.868 -0.858 0.000 1.000 137 T HN 0.579 nan 8.240 nan 0.000 0.549 138 K N 3.615 123.794 120.400 -0.368 0.000 2.437 138 K HA 0.036 4.357 4.320 0.001 0.000 0.198 138 K C 0.194 176.506 176.600 -0.480 0.000 1.024 138 K CA 0.473 56.501 56.287 -0.432 0.000 1.148 138 K CB 0.075 32.303 32.500 -0.453 0.000 0.860 138 K HN 0.767 nan 8.250 nan 0.000 0.515 139 Y N 0.524 120.868 120.300 0.074 0.000 2.467 139 Y HA 0.185 4.735 4.550 0.001 0.000 0.250 139 Y C 0.517 176.576 175.900 0.265 0.000 1.155 139 Y CA -0.472 57.748 58.100 0.199 0.000 1.249 139 Y CB 1.442 40.070 38.460 0.280 0.000 1.146 139 Y HN 0.036 nan 8.280 nan 0.000 0.524 140 T N -0.959 113.730 114.554 0.224 0.000 2.942 140 T HA 0.152 4.502 4.350 0.001 0.000 0.327 140 T C -0.543 174.190 174.700 0.054 0.000 1.360 140 T CA -0.578 61.629 62.100 0.178 0.000 1.055 140 T CB 1.203 70.248 68.868 0.295 0.000 1.261 140 T HN -0.056 nan 8.240 nan 0.000 0.485 141 D N 1.659 122.106 120.400 0.078 0.000 2.348 141 D HA 0.110 4.751 4.640 0.001 0.000 0.211 141 D C 0.377 176.761 176.300 0.140 0.000 0.998 141 D CA 0.355 54.393 54.000 0.064 0.000 0.873 141 D CB 0.078 40.918 40.800 0.066 0.000 0.925 141 D HN 0.397 nan 8.370 nan 0.000 0.524 142 F N 2.961 122.900 119.950 -0.019 0.000 2.626 142 F HA 0.174 4.702 4.527 0.001 0.000 0.353 142 F C 0.015 175.646 175.800 -0.282 0.000 1.230 142 F CA -0.864 57.158 58.000 0.038 0.000 1.298 142 F CB -0.937 38.140 39.000 0.127 0.000 1.670 142 F HN -0.155 nan 8.300 nan 0.000 0.633 143 N N -1.538 116.893 118.700 -0.449 0.000 2.525 143 N HA 0.231 4.972 4.740 0.001 0.000 0.270 143 N C 0.311 175.498 175.510 -0.538 0.000 1.321 143 N CA -0.265 52.286 53.050 -0.832 0.000 0.797 143 N CB 0.899 39.066 38.487 -0.533 0.000 1.529 143 N HN -0.078 nan 8.380 nan 0.000 0.491 144 S N -0.938 114.477 115.700 -0.474 0.000 2.500 144 S HA -0.087 4.384 4.470 0.001 0.000 0.239 144 S C 1.285 175.837 174.600 -0.080 0.000 0.989 144 S CA 0.743 58.885 58.200 -0.097 0.000 0.951 144 S CB -0.544 62.593 63.200 -0.106 0.000 0.759 144 S HN 0.372 nan 8.310 nan 0.000 0.523 145 V N 1.510 121.371 119.914 -0.088 0.000 2.535 145 V HA 0.026 4.147 4.120 0.001 0.000 0.246 145 V C 2.578 178.652 176.094 -0.033 0.000 1.045 145 V CA 1.324 63.596 62.300 -0.046 0.000 1.058 145 V CB -0.356 31.446 31.823 -0.034 0.000 0.689 145 V HN 0.448 nan 8.190 nan 0.000 0.461 146 K N -0.335 120.045 120.400 -0.033 0.000 2.211 146 K HA 0.130 4.450 4.320 0.001 0.000 0.201 146 K C 0.743 177.361 176.600 0.029 0.000 1.052 146 K CA 0.432 56.719 56.287 -0.000 0.000 0.973 146 K CB 0.252 32.757 32.500 0.008 0.000 0.766 146 K HN 0.292 nan 8.250 nan 0.000 0.466 147 R N -0.652 119.883 120.500 0.059 0.000 2.892 147 R HA 0.341 4.681 4.340 0.001 0.000 0.265 147 R C 0.822 177.140 176.300 0.030 0.000 1.025 147 R CA 0.047 56.196 56.100 0.082 0.000 0.982 147 R CB 0.874 31.289 30.300 0.191 0.000 1.185 147 R HN 0.234 nan 8.270 nan 0.000 0.484 148 G N 1.977 110.759 108.800 -0.030 0.000 2.774 148 G HA2 -0.345 3.616 3.960 0.001 0.000 0.342 148 G HA3 -0.345 3.616 3.960 0.001 0.000 0.342 148 G C -1.437 173.334 174.900 -0.215 0.000 1.185 148 G CA 0.626 45.646 45.100 -0.134 0.000 0.956 148 G HN 0.517 nan 8.290 nan 0.000 0.561 149 P HA 0.105 nan 4.420 nan 0.000 0.222 149 P C 0.544 177.746 177.300 -0.163 0.000 1.147 149 P CA 1.470 64.361 63.100 -0.348 0.000 0.790 149 P CB 0.052 31.418 31.700 -0.558 0.000 0.780 150 K N -0.720 119.611 120.400 -0.115 0.000 3.150 150 K HA -0.195 4.126 4.320 0.001 0.000 0.267 150 K C 0.058 176.637 176.600 -0.036 0.000 1.028 150 K CA 0.838 57.092 56.287 -0.054 0.000 0.753 150 K CB -1.693 30.785 32.500 -0.036 0.000 1.288 150 K HN 0.419 nan 8.250 nan 0.000 0.473 151 R N 0.322 120.794 120.500 -0.047 0.000 2.634 151 R HA 0.129 4.470 4.340 0.001 0.000 0.263 151 R C -1.687 174.626 176.300 0.022 0.000 1.060 151 R CA -0.695 55.408 56.100 0.004 0.000 0.898 151 R CB 1.150 31.465 30.300 0.024 0.000 1.253 151 R HN -0.001 nan 8.270 nan 0.000 0.461 152 D N 4.702 125.159 120.400 0.094 0.000 2.470 152 D HA 0.121 4.762 4.640 0.001 0.000 0.226 152 D C 1.154 177.555 176.300 0.169 0.000 1.196 152 D CA -0.096 53.996 54.000 0.154 0.000 0.979 152 D CB 0.401 41.329 40.800 0.213 0.000 1.059 152 D HN 0.534 nan 8.370 nan 0.000 0.515 153 L N 2.394 123.674 121.223 0.096 0.000 1.989 153 L HA -0.197 4.144 4.340 0.001 0.000 0.211 153 L C 2.385 179.392 176.870 0.230 0.000 1.071 153 L CA 0.713 55.591 54.840 0.062 0.000 0.749 153 L CB -0.598 41.385 42.059 -0.128 0.000 0.890 153 L HN 0.267 nan 8.230 nan 0.000 0.431 154 V N 0.636 120.667 119.914 0.194 0.000 2.255 154 V HA -0.252 3.869 4.120 0.001 0.000 0.247 154 V C 2.690 178.675 176.094 -0.181 0.000 1.051 154 V CA 2.202 64.559 62.300 0.095 0.000 1.018 154 V CB -1.461 30.337 31.823 -0.042 0.000 0.641 154 V HN 0.586 nan 8.190 nan 0.000 0.445 155 G N -0.398 108.281 108.800 -0.202 0.000 2.421 155 G HA2 -0.262 3.698 3.960 0.001 0.000 0.216 155 G HA3 -0.262 3.698 3.960 0.001 0.000 0.216 155 G C 1.235 176.123 174.900 -0.022 0.000 1.171 155 G CA 1.088 46.122 45.100 -0.109 0.000 0.775 155 G HN 0.508 nan 8.290 nan 0.000 0.543 156 D N -0.149 120.316 120.400 0.108 0.000 2.178 156 D HA -0.064 4.576 4.640 0.001 0.000 0.201 156 D C 2.299 178.641 176.300 0.069 0.000 0.980 156 D CA 0.399 54.463 54.000 0.107 0.000 0.842 156 D CB -0.126 40.809 40.800 0.224 0.000 0.948 156 D HN 0.264 nan 8.370 nan 0.000 0.472 157 L N 0.380 121.723 121.223 0.199 0.000 2.179 157 L HA 0.131 4.471 4.340 0.001 0.000 0.208 157 L C 2.008 178.837 176.870 -0.069 0.000 1.096 157 L CA 1.119 56.088 54.840 0.215 0.000 0.779 157 L CB -0.539 41.861 42.059 0.568 0.000 0.922 157 L HN -0.058 nan 8.230 nan 0.000 0.443 158 A N -0.408 122.108 122.820 -0.506 0.000 1.933 158 A HA -0.240 4.081 4.320 0.001 0.000 0.218 158 A C 2.433 179.771 177.584 -0.410 0.000 1.175 158 A CA 1.854 53.227 52.037 -1.108 0.000 0.628 158 A CB -0.562 17.495 19.000 -1.571 0.000 0.814 158 A HN 0.489 nan 8.150 nan 0.000 0.444 159 K N -0.260 120.004 120.400 -0.227 0.000 2.057 159 K HA -0.064 4.257 4.320 0.001 0.000 0.206 159 K C 2.135 178.683 176.600 -0.086 0.000 1.050 159 K CA 1.230 57.449 56.287 -0.113 0.000 0.935 159 K CB -0.326 32.132 32.500 -0.070 0.000 0.715 159 K HN 0.341 nan 8.250 nan 0.000 0.439 160 A N 0.690 123.458 122.820 -0.088 0.000 1.898 160 A HA -0.076 4.245 4.320 0.001 0.000 0.216 160 A C 2.234 179.811 177.584 -0.012 0.000 1.181 160 A CA 1.440 53.433 52.037 -0.073 0.000 0.620 160 A CB -0.584 18.341 19.000 -0.125 0.000 0.819 160 A HN 0.172 nan 8.150 nan 0.000 0.442 161 V N -0.129 119.814 119.914 0.048 0.000 2.343 161 V HA -0.268 3.853 4.120 0.001 0.000 0.247 161 V C 2.664 178.811 176.094 0.088 0.000 1.051 161 V CA 2.364 64.749 62.300 0.141 0.000 1.036 161 V CB -0.779 31.230 31.823 0.309 0.000 0.654 161 V HN 0.522 nan 8.190 nan 0.000 0.451 162 R N -0.252 120.271 120.500 0.037 0.000 2.092 162 R HA -0.129 4.212 4.340 0.001 0.000 0.231 162 R C 2.278 178.577 176.300 -0.000 0.000 1.119 162 R CA 1.403 57.513 56.100 0.017 0.000 0.970 162 R CB -0.242 30.051 30.300 -0.012 0.000 0.864 162 R HN 0.603 nan 8.270 nan 0.000 0.440 163 E N -0.043 120.149 120.200 -0.014 0.000 2.204 163 E HA -0.136 4.215 4.350 0.001 0.000 0.195 163 E C 1.566 178.159 176.600 -0.012 0.000 0.990 163 E CA 1.018 57.406 56.400 -0.020 0.000 0.821 163 E CB 0.037 29.715 29.700 -0.036 0.000 0.750 163 E HN 0.359 nan 8.360 nan 0.000 0.477 164 A N 0.034 122.855 122.820 0.001 0.000 2.208 164 A HA 0.231 4.551 4.320 0.001 0.000 0.209 164 A C 1.751 179.345 177.584 0.016 0.000 1.161 164 A CA 0.832 52.874 52.037 0.009 0.000 0.782 164 A CB -0.192 18.823 19.000 0.026 0.000 0.816 164 A HN 0.330 nan 8.150 nan 0.000 0.477 165 G N -1.522 107.287 108.800 0.015 0.000 2.157 165 G HA2 -0.192 3.768 3.960 0.001 0.000 0.248 165 G HA3 -0.192 3.768 3.960 0.001 0.000 0.248 165 G C 0.082 174.993 174.900 0.019 0.000 0.979 165 G CA 0.316 45.421 45.100 0.008 0.000 0.650 165 G HN 0.420 nan 8.290 nan 0.000 0.529 166 L N 0.132 121.386 121.223 0.052 0.000 2.387 166 L HA 0.650 4.990 4.340 0.001 0.000 0.266 166 L C 1.080 177.997 176.870 0.078 0.000 1.059 166 L CA -1.266 53.620 54.840 0.078 0.000 0.801 166 L CB 0.666 42.804 42.059 0.131 0.000 1.223 166 L HN -0.024 nan 8.230 nan 0.000 0.456 167 R N 0.778 121.314 120.500 0.059 0.000 2.531 167 R HA 0.359 4.700 4.340 0.001 0.000 0.273 167 R C -1.040 175.408 176.300 0.248 0.000 1.070 167 R CA -0.270 55.823 56.100 -0.012 0.000 1.112 167 R CB 0.966 31.036 30.300 -0.382 0.000 1.049 167 R HN 0.369 nan 8.270 nan 0.000 0.508 168 F N 0.011 120.021 119.950 0.101 0.000 2.518 168 F HA 0.553 5.081 4.527 0.001 0.000 0.323 168 F C -0.166 175.786 175.800 0.252 0.000 1.129 168 F CA -0.378 57.734 58.000 0.187 0.000 0.920 168 F CB 1.767 40.857 39.000 0.150 0.000 1.160 168 F HN 0.561 nan 8.300 nan 0.000 0.440 169 G N 3.267 111.836 108.800 -0.386 0.000 2.788 169 G HA2 0.679 4.640 3.960 0.001 0.000 0.293 169 G HA3 0.679 4.640 3.960 0.001 0.000 0.293 169 G C -1.697 172.913 174.900 -0.483 0.000 1.305 169 G CA -0.612 44.390 45.100 -0.163 0.000 1.005 169 G HN 1.144 nan 8.290 nan 0.000 0.496 170 V N -2.466 117.420 119.914 -0.046 0.000 2.841 170 V HA 0.744 4.865 4.120 0.001 0.000 0.310 170 V C -1.412 174.863 176.094 0.303 0.000 1.090 170 V CA -1.271 61.061 62.300 0.052 0.000 0.930 170 V CB 1.299 33.163 31.823 0.069 0.000 1.014 170 V HN 0.893 nan 8.190 nan 0.000 0.425 171 Y N 4.457 124.885 120.300 0.214 0.000 2.360 171 Y HA 0.784 5.334 4.550 0.001 0.000 0.337 171 Y C -1.424 174.654 175.900 0.297 0.000 1.039 171 Y CA -0.857 57.427 58.100 0.307 0.000 1.109 171 Y CB 1.910 40.472 38.460 0.169 0.000 1.201 171 Y HN 0.888 nan 8.280 nan 0.000 0.458 172 Y N 4.124 124.259 120.300 -0.276 0.000 2.433 172 Y HA 0.312 4.862 4.550 0.001 0.000 0.337 172 Y C -0.797 174.898 175.900 -0.341 0.000 1.026 172 Y CA -0.926 57.120 58.100 -0.090 0.000 1.037 172 Y CB 1.980 40.480 38.460 0.068 0.000 1.245 172 Y HN 0.596 nan 8.280 nan 0.000 0.443 173 S N 4.106 119.458 115.700 -0.580 0.000 3.530 173 S HA 0.242 4.713 4.470 0.001 0.000 0.279 173 S C 1.077 175.442 174.600 -0.392 0.000 1.280 173 S CA 0.427 58.390 58.200 -0.395 0.000 0.946 173 S CB -0.618 62.439 63.200 -0.238 0.000 1.501 173 S HN 1.047 nan 8.310 nan 0.000 0.498 174 G N 3.071 111.805 108.800 -0.110 0.000 2.408 174 G HA2 0.013 3.973 3.960 0.001 0.000 0.215 174 G HA3 0.013 3.973 3.960 0.001 0.000 0.215 174 G C 1.291 176.152 174.900 -0.065 0.000 1.156 174 G CA 0.477 45.589 45.100 0.020 0.000 0.793 174 G HN 0.724 nan 8.290 nan 0.000 0.535 175 G N -0.226 108.529 108.800 -0.075 0.000 2.448 175 G HA2 0.248 4.208 3.960 0.001 0.000 0.218 175 G HA3 0.248 4.208 3.960 0.001 0.000 0.218 175 G C 0.507 175.276 174.900 -0.218 0.000 1.135 175 G CA 0.164 45.202 45.100 -0.102 0.000 0.784 175 G HN 0.366 nan 8.290 nan 0.000 0.543 176 L N -0.184 120.849 121.223 -0.317 0.000 2.388 176 L HA 0.545 4.885 4.340 0.001 0.000 0.264 176 L C -1.653 174.926 176.870 -0.485 0.000 0.998 176 L CA -0.910 53.638 54.840 -0.487 0.000 0.817 176 L CB 2.820 44.401 42.059 -0.796 0.000 1.338 176 L HN -0.133 nan 8.230 nan 0.000 0.414 177 D N 1.271 121.378 120.400 -0.489 0.000 2.354 177 D HA 0.121 4.761 4.640 0.001 0.000 0.230 177 D C -0.093 176.197 176.300 -0.017 0.000 1.361 177 D CA -0.360 53.485 54.000 -0.259 0.000 0.992 177 D CB 0.949 41.718 40.800 -0.051 0.000 1.409 177 D HN 0.364 nan 8.370 nan 0.000 0.573 178 W N 2.714 124.031 121.300 0.028 0.000 2.848 178 W HA 0.049 4.709 4.660 0.001 0.000 0.241 178 W C 1.581 178.125 176.519 0.042 0.000 1.289 178 W CA -0.130 57.214 57.345 -0.003 0.000 1.396 178 W CB -0.334 29.094 29.460 -0.053 0.000 1.138 178 W HN 0.334 nan 8.180 nan 0.000 0.677 179 R N -0.503 120.175 120.500 0.296 0.000 2.299 179 R HA -0.002 4.339 4.340 0.001 0.000 0.197 179 R C 0.655 176.902 176.300 -0.089 0.000 0.971 179 R CA 0.599 56.737 56.100 0.063 0.000 1.030 179 R CB -0.651 29.645 30.300 -0.006 0.000 0.932 179 R HN 0.187 nan 8.270 nan 0.000 0.477 180 F N -0.265 119.661 119.950 -0.039 0.000 2.688 180 F HA 0.142 4.669 4.527 0.001 0.000 0.310 180 F C 0.949 176.710 175.800 -0.065 0.000 1.098 180 F CA -0.279 57.672 58.000 -0.081 0.000 1.228 180 F CB 0.496 39.397 39.000 -0.166 0.000 1.042 180 F HN -0.203 nan 8.300 nan 0.000 0.557 181 T N -4.149 110.486 114.554 0.136 0.000 2.887 181 T HA 0.517 4.868 4.350 0.001 0.000 0.292 181 T C 0.663 175.373 174.700 0.017 0.000 1.087 181 T CA 0.147 62.284 62.100 0.062 0.000 1.009 181 T CB 2.113 71.011 68.868 0.049 0.000 1.203 181 T HN -0.006 nan 8.240 nan 0.000 0.518 182 T N -2.794 111.748 114.554 -0.020 0.000 3.028 182 T HA 0.304 4.654 4.350 0.001 0.000 0.250 182 T C 0.408 175.057 174.700 -0.083 0.000 0.979 182 T CA -0.029 62.045 62.100 -0.043 0.000 1.004 182 T CB -0.177 68.676 68.868 -0.026 0.000 1.120 182 T HN 0.579 nan 8.240 nan 0.000 0.482 183 E N 4.274 124.428 120.200 -0.077 0.000 2.338 183 E HA 0.400 4.751 4.350 0.001 0.000 0.272 183 E C -2.363 174.122 176.600 -0.192 0.000 1.029 183 E CA -2.254 54.087 56.400 -0.099 0.000 0.872 183 E CB 0.857 30.529 29.700 -0.047 0.000 1.015 183 E HN 0.317 nan 8.360 nan 0.000 0.417 184 P HA 0.218 nan 4.420 nan 0.000 0.278 184 P C -0.545 176.565 177.300 -0.316 0.000 1.258 184 P CA -0.541 62.356 63.100 -0.338 0.000 0.811 184 P CB 0.855 32.370 31.700 -0.308 0.000 1.063 185 I N 2.640 122.983 120.570 -0.378 0.000 2.396 185 I HA 0.190 4.361 4.170 0.001 0.000 0.289 185 I C 1.763 177.516 176.117 -0.608 0.000 1.056 185 I CA 0.138 61.148 61.300 -0.484 0.000 1.365 185 I CB 0.283 37.958 38.000 -0.543 0.000 1.407 185 I HN 0.450 nan 8.210 nan 0.000 0.509 186 R N 4.156 124.338 120.500 -0.531 0.000 2.221 186 R HA 0.194 4.535 4.340 0.001 0.000 0.195 186 R C -0.492 175.331 176.300 -0.794 0.000 0.956 186 R CA 0.374 56.024 56.100 -0.749 0.000 1.064 186 R CB 0.598 30.577 30.300 -0.535 0.000 1.049 186 R HN 0.437 nan 8.270 nan 0.000 0.534 187 Y N -0.823 119.428 120.300 -0.082 0.000 2.570 187 Y HA 0.282 4.832 4.550 0.001 0.000 0.345 187 Y C -1.825 174.091 175.900 0.026 0.000 1.014 187 Y CA -2.732 55.447 58.100 0.132 0.000 1.063 187 Y CB 1.602 40.154 38.460 0.152 0.000 1.272 187 Y HN -0.194 nan 8.280 nan 0.000 0.477 188 P HA -0.177 nan 4.420 nan 0.000 0.216 188 P C 0.673 178.035 177.300 0.102 0.000 1.150 188 P CA 1.701 64.937 63.100 0.228 0.000 0.843 188 P CB 0.386 32.211 31.700 0.208 0.000 0.787 189 E N -0.497 119.788 120.200 0.142 0.000 2.118 189 E HA -0.182 4.169 4.350 0.001 0.000 0.195 189 E C 1.669 178.308 176.600 0.064 0.000 0.992 189 E CA 1.191 57.665 56.400 0.123 0.000 0.804 189 E CB -0.934 28.863 29.700 0.161 0.000 0.741 189 E HN 0.314 nan 8.360 nan 0.000 0.458 190 D N 0.232 120.603 120.400 -0.049 0.000 2.182 190 D HA -0.159 4.482 4.640 0.001 0.000 0.201 190 D C 1.814 177.803 176.300 -0.519 0.000 0.986 190 D CA 0.680 54.407 54.000 -0.455 0.000 0.847 190 D CB -0.200 40.370 40.800 -0.383 0.000 0.942 190 D HN 0.222 nan 8.370 nan 0.000 0.467 191 L N 1.097 122.173 121.223 -0.246 0.000 2.261 191 L HA -0.183 4.158 4.340 0.001 0.000 0.216 191 L C 2.391 179.196 176.870 -0.108 0.000 1.114 191 L CA 1.199 55.948 54.840 -0.152 0.000 0.777 191 L CB -0.429 41.602 42.059 -0.046 0.000 0.910 191 L HN 0.096 nan 8.230 nan 0.000 0.440 192 S N -0.779 114.882 115.700 -0.064 0.000 2.489 192 S HA -0.150 4.320 4.470 0.001 0.000 0.228 192 S C 1.508 176.161 174.600 0.087 0.000 0.995 192 S CA 0.833 59.055 58.200 0.036 0.000 0.934 192 S CB -0.197 63.071 63.200 0.113 0.000 0.771 192 S HN 0.680 nan 8.310 nan 0.000 0.522 193 Y N -0.766 119.526 120.300 -0.014 0.000 2.441 193 Y HA 0.558 5.109 4.550 0.001 0.000 0.266 193 Y C 0.487 176.370 175.900 -0.030 0.000 1.093 193 Y CA -1.096 56.992 58.100 -0.020 0.000 1.246 193 Y CB 0.210 38.663 38.460 -0.012 0.000 1.262 193 Y HN 0.093 nan 8.280 nan 0.000 0.518 194 I N 4.678 124.986 120.570 -0.435 0.000 2.243 194 I HA 0.314 4.484 4.170 0.001 0.000 0.297 194 I C -0.486 175.531 176.117 -0.166 0.000 1.161 194 I CA -0.002 61.134 61.300 -0.274 0.000 1.298 194 I CB -0.229 37.542 38.000 -0.382 0.000 1.475 194 I HN 0.180 nan 8.210 nan 0.000 0.561 195 R N 4.625 125.053 120.500 -0.119 0.000 2.764 195 R HA 0.385 4.726 4.340 0.001 0.000 0.270 195 R C -2.114 174.073 176.300 -0.189 0.000 1.014 195 R CA -1.793 54.209 56.100 -0.164 0.000 0.904 195 R CB 0.806 31.017 30.300 -0.148 0.000 1.236 195 R HN -0.035 nan 8.270 nan 0.000 0.466 196 P HA -0.162 nan 4.420 nan 0.000 0.215 196 P C -0.094 177.105 177.300 -0.167 0.000 1.163 196 P CA 1.415 64.278 63.100 -0.395 0.000 0.894 196 P CB 0.274 31.277 31.700 -1.162 0.000 0.791 197 N N -4.063 114.541 118.700 -0.159 0.000 2.961 197 N HA -0.119 4.622 4.740 0.001 0.000 0.223 197 N C 0.036 175.476 175.510 -0.117 0.000 0.866 197 N CA 1.822 54.811 53.050 -0.101 0.000 1.030 197 N CB -2.203 36.249 38.487 -0.059 0.000 1.037 197 N HN 0.372 nan 8.380 nan 0.000 0.608 198 T N -2.862 111.656 114.554 -0.060 0.000 2.902 198 T HA 0.484 4.835 4.350 0.001 0.000 0.280 198 T C 1.281 175.945 174.700 -0.061 0.000 0.992 198 T CA -0.501 61.575 62.100 -0.041 0.000 1.015 198 T CB 0.882 69.809 68.868 0.099 0.000 1.044 198 T HN 0.088 nan 8.240 nan 0.000 0.520 199 Y N 0.102 120.436 120.300 0.057 0.000 2.200 199 Y HA -0.050 4.500 4.550 0.001 0.000 0.290 199 Y C 2.827 178.752 175.900 0.041 0.000 1.137 199 Y CA 1.604 59.726 58.100 0.036 0.000 1.163 199 Y CB -0.234 38.241 38.460 0.025 0.000 0.988 199 Y HN 0.897 nan 8.280 nan 0.000 0.518 200 E N -0.275 120.063 120.200 0.230 0.000 2.097 200 E HA -0.329 4.021 4.350 0.001 0.000 0.196 200 E C 1.954 178.649 176.600 0.159 0.000 1.000 200 E CA 1.606 58.120 56.400 0.191 0.000 0.804 200 E CB -0.515 29.314 29.700 0.215 0.000 0.740 200 E HN 0.597 nan 8.360 nan 0.000 0.454 201 Y N 0.665 120.951 120.300 -0.024 0.000 2.242 201 Y HA -0.032 4.519 4.550 0.001 0.000 0.291 201 Y C 2.186 178.005 175.900 -0.136 0.000 1.137 201 Y CA 1.417 59.382 58.100 -0.226 0.000 1.181 201 Y CB -0.573 37.558 38.460 -0.548 0.000 0.989 201 Y HN 0.167 nan 8.280 nan 0.000 0.527 202 A N 0.035 122.729 122.820 -0.209 0.000 1.940 202 A HA -0.194 4.127 4.320 0.001 0.000 0.219 202 A C 1.914 179.421 177.584 -0.127 0.000 1.176 202 A CA 2.064 53.960 52.037 -0.235 0.000 0.631 202 A CB -0.732 18.244 19.000 -0.041 0.000 0.814 202 A HN 0.515 nan 8.150 nan 0.000 0.446 203 D N -1.766 118.616 120.400 -0.031 0.000 2.103 203 D HA -0.120 4.521 4.640 0.001 0.000 0.199 203 D C 1.708 178.013 176.300 0.008 0.000 0.978 203 D CA 1.424 55.444 54.000 0.035 0.000 0.829 203 D CB -0.569 40.264 40.800 0.055 0.000 0.981 203 D HN 0.523 nan 8.370 nan 0.000 0.464 204 Y N 1.969 122.163 120.300 -0.177 0.000 2.069 204 Y HA -0.300 4.251 4.550 0.001 0.000 0.278 204 Y C 2.268 178.038 175.900 -0.216 0.000 1.175 204 Y CA 2.007 59.995 58.100 -0.188 0.000 1.134 204 Y CB -0.678 37.728 38.460 -0.089 0.000 0.965 204 Y HN -0.040 nan 8.280 nan 0.000 0.498 205 A N -0.781 121.758 122.820 -0.468 0.000 1.902 205 A HA -0.258 4.063 4.320 0.001 0.000 0.217 205 A C 2.210 179.764 177.584 -0.050 0.000 1.181 205 A CA 1.782 53.544 52.037 -0.458 0.000 0.623 205 A CB -1.615 16.783 19.000 -1.003 0.000 0.818 205 A HN 0.745 nan 8.150 nan 0.000 0.443 206 Y N 0.751 121.059 120.300 0.012 0.000 2.163 206 Y HA -0.157 4.394 4.550 0.001 0.000 0.288 206 Y C 2.196 178.057 175.900 -0.066 0.000 1.136 206 Y CA 2.223 60.415 58.100 0.153 0.000 1.147 206 Y CB -0.215 38.304 38.460 0.098 0.000 0.987 206 Y HN 0.247 nan 8.280 nan 0.000 0.509 207 K N -0.111 120.165 120.400 -0.207 0.000 2.097 207 K HA -0.185 4.135 4.320 0.001 0.000 0.205 207 K C 2.104 178.524 176.600 -0.299 0.000 1.050 207 K CA 1.681 57.715 56.287 -0.421 0.000 0.938 207 K CB -0.191 31.845 32.500 -0.773 0.000 0.718 207 K HN 0.527 nan 8.250 nan 0.000 0.442 208 Q N 0.362 119.999 119.800 -0.273 0.000 2.083 208 Q HA -0.094 4.247 4.340 0.001 0.000 0.198 208 Q C 2.225 178.156 176.000 -0.115 0.000 0.969 208 Q CA 1.114 56.909 55.803 -0.012 0.000 0.838 208 Q CB 0.036 28.763 28.738 -0.018 0.000 0.900 208 Q HN 0.105 nan 8.270 nan 0.000 0.436 209 V N 0.805 120.532 119.914 -0.312 0.000 2.358 209 V HA -0.249 3.872 4.120 0.001 0.000 0.246 209 V C 2.283 178.256 176.094 -0.202 0.000 1.047 209 V CA 1.236 63.374 62.300 -0.270 0.000 1.035 209 V CB -0.406 31.332 31.823 -0.140 0.000 0.658 209 V HN 0.405 nan 8.190 nan 0.000 0.452 210 M N -0.281 119.141 119.600 -0.296 0.000 2.106 210 M HA -0.220 4.260 4.480 0.001 0.000 0.259 210 M C 2.190 178.440 176.300 -0.083 0.000 1.068 210 M CA 1.739 56.865 55.300 -0.290 0.000 1.100 210 M CB -1.164 31.101 32.600 -0.559 0.000 1.351 210 M HN 0.501 nan 8.290 nan 0.000 0.404 211 E N 0.150 120.343 120.200 -0.012 0.000 2.150 211 E HA -0.155 4.195 4.350 0.001 0.000 0.193 211 E C 2.081 178.673 176.600 -0.012 0.000 0.985 211 E CA 0.793 57.255 56.400 0.103 0.000 0.814 211 E CB 0.081 30.000 29.700 0.365 0.000 0.752 211 E HN 0.476 nan 8.360 nan 0.000 0.466 212 L N -0.072 121.094 121.223 -0.094 0.000 2.131 212 L HA -0.114 4.226 4.340 0.001 0.000 0.206 212 L C 2.450 179.330 176.870 0.016 0.000 1.087 212 L CA 0.335 55.107 54.840 -0.114 0.000 0.767 212 L CB -0.198 41.740 42.059 -0.202 0.000 0.917 212 L HN 0.058 nan 8.230 nan 0.000 0.441 213 V N -0.026 119.906 119.914 0.029 0.000 2.287 213 V HA -0.313 3.808 4.120 0.001 0.000 0.248 213 V C 2.120 178.283 176.094 0.115 0.000 1.053 213 V CA 2.021 64.401 62.300 0.133 0.000 1.027 213 V CB -0.473 31.471 31.823 0.201 0.000 0.646 213 V HN 0.427 nan 8.190 nan 0.000 0.447 214 D N -0.174 120.275 120.400 0.081 0.000 2.144 214 D HA -0.100 4.541 4.640 0.001 0.000 0.199 214 D C 2.072 178.317 176.300 -0.093 0.000 0.984 214 D CA 1.257 55.282 54.000 0.043 0.000 0.834 214 D CB -0.119 40.720 40.800 0.064 0.000 0.955 214 D HN 0.359 nan 8.370 nan 0.000 0.465 215 L N -1.318 119.738 121.223 -0.279 0.000 2.162 215 L HA -0.043 4.298 4.340 0.001 0.000 0.205 215 L C 1.416 177.858 176.870 -0.714 0.000 1.086 215 L CA 0.772 55.232 54.840 -0.634 0.000 0.778 215 L CB -0.064 41.308 42.059 -1.146 0.000 0.928 215 L HN 0.076 nan 8.230 nan 0.000 0.446 216 Y N -2.428 117.902 120.300 0.050 0.000 2.471 216 Y HA 0.292 4.843 4.550 0.001 0.000 0.249 216 Y C 0.402 176.376 175.900 0.124 0.000 1.116 216 Y CA -1.034 57.111 58.100 0.075 0.000 1.240 216 Y CB 0.553 39.087 38.460 0.124 0.000 1.251 216 Y HN -0.197 nan 8.280 nan 0.000 0.527 217 L N 2.275 123.634 121.223 0.227 0.000 3.965 217 L HA -0.194 4.147 4.340 0.001 0.000 0.499 217 L C -2.771 174.318 176.870 0.365 0.000 1.194 217 L CA -0.616 54.372 54.840 0.246 0.000 0.707 217 L CB -1.214 40.878 42.059 0.055 0.000 1.414 217 L HN -0.010 nan 8.230 nan 0.000 0.802 218 P HA 0.087 nan 4.420 nan 0.000 0.269 218 P C 0.547 178.230 177.300 0.639 0.000 1.217 218 P CA -0.052 63.358 63.100 0.517 0.000 0.783 218 P CB 0.500 32.422 31.700 0.369 0.000 0.898 219 D N -0.260 120.465 120.400 0.542 0.000 2.323 219 D HA 0.033 4.673 4.640 0.001 0.000 0.209 219 D C 0.125 176.797 176.300 0.619 0.000 0.973 219 D CA 1.147 55.492 54.000 0.575 0.000 0.874 219 D CB 0.326 41.284 40.800 0.263 0.000 0.930 219 D HN 0.079 nan 8.370 nan 0.000 0.521 220 V N 1.361 121.576 119.914 0.502 0.000 2.777 220 V HA 0.256 4.376 4.120 0.001 0.000 0.306 220 V C -0.454 175.843 176.094 0.339 0.000 1.112 220 V CA -0.717 61.851 62.300 0.446 0.000 0.917 220 V CB 2.830 34.935 31.823 0.471 0.000 1.018 220 V HN -0.107 nan 8.190 nan 0.000 0.426 221 L N 3.627 125.005 121.223 0.258 0.000 2.272 221 L HA 0.404 4.744 4.340 0.001 0.000 0.284 221 L C -1.021 176.065 176.870 0.361 0.000 1.045 221 L CA -0.018 54.955 54.840 0.221 0.000 0.842 221 L CB 0.967 43.054 42.059 0.045 0.000 1.224 221 L HN 0.744 nan 8.230 nan 0.000 0.430 222 W N 4.927 126.319 121.300 0.155 0.000 2.289 222 W HA 0.263 4.924 4.660 0.001 0.000 0.342 222 W C 0.463 176.860 176.519 -0.202 0.000 0.958 222 W CA -0.367 57.031 57.345 0.088 0.000 1.492 222 W CB 0.877 30.503 29.460 0.277 0.000 1.336 222 W HN 0.438 nan 8.180 nan 0.000 0.371 223 N N 2.759 121.181 118.700 -0.464 0.000 2.467 223 N HA 0.138 4.878 4.740 0.001 0.000 0.262 223 N C -1.001 174.214 175.510 -0.491 0.000 1.234 223 N CA 0.541 53.171 53.050 -0.701 0.000 0.952 223 N CB 0.878 38.373 38.487 -1.654 0.000 1.158 223 N HN 0.266 nan 8.380 nan 0.000 0.463 224 D N 1.166 121.358 120.400 -0.346 0.000 2.645 224 D HA 0.365 5.005 4.640 0.001 0.000 0.228 224 D C -0.201 176.065 176.300 -0.057 0.000 1.148 224 D CA -0.155 53.783 54.000 -0.104 0.000 0.860 224 D CB 0.903 41.759 40.800 0.093 0.000 1.548 224 D HN 0.487 nan 8.370 nan 0.000 0.460 225 M N 0.780 120.394 119.600 0.024 0.000 2.751 225 M HA -0.131 4.349 4.480 0.001 0.000 0.199 225 M C 0.584 176.880 176.300 -0.006 0.000 0.550 225 M CA 1.222 56.529 55.300 0.012 0.000 0.640 225 M CB -2.442 30.126 32.600 -0.053 0.000 2.351 225 M HN 0.859 nan 8.290 nan 0.000 0.613 226 G N -0.425 108.371 108.800 -0.007 0.000 2.829 226 G HA2 -0.202 3.759 3.960 0.001 0.000 0.628 226 G HA3 -0.202 3.759 3.960 0.001 0.000 0.628 226 G C -0.745 174.272 174.900 0.194 0.000 1.412 226 G CA -0.100 45.045 45.100 0.076 0.000 0.864 226 G HN 0.698 nan 8.290 nan 0.000 0.544 227 W N 0.805 122.144 121.300 0.065 0.000 2.666 227 W HA 0.553 5.214 4.660 0.001 0.000 0.334 227 W C -2.140 174.445 176.519 0.110 0.000 1.051 227 W CA -1.958 55.463 57.345 0.128 0.000 1.224 227 W CB 1.896 31.504 29.460 0.247 0.000 1.405 227 W HN 0.523 nan 8.180 nan 0.000 0.513 228 P HA -0.161 nan 4.420 nan 0.000 0.259 228 P C 0.592 177.935 177.300 0.072 0.000 1.163 228 P CA 0.915 63.952 63.100 -0.106 0.000 0.760 228 P CB 0.607 32.157 31.700 -0.251 0.000 0.762 229 E N 3.623 123.858 120.200 0.059 0.000 2.085 229 E HA -0.227 4.124 4.350 0.001 0.000 0.194 229 E C 1.233 177.886 176.600 0.089 0.000 0.994 229 E CA 1.736 58.187 56.400 0.086 0.000 0.801 229 E CB -0.259 29.464 29.700 0.038 0.000 0.743 229 E HN 0.370 nan 8.360 nan 0.000 0.453 230 K N -1.456 118.954 120.400 0.017 0.000 2.362 230 K HA -0.002 4.318 4.320 0.001 0.000 0.200 230 K C 1.655 178.331 176.600 0.126 0.000 1.046 230 K CA 0.960 57.262 56.287 0.024 0.000 0.952 230 K CB 0.053 32.451 32.500 -0.171 0.000 0.753 230 K HN 0.184 nan 8.250 nan 0.000 0.466 231 G N 0.413 109.326 108.800 0.189 0.000 3.159 231 G HA2 -0.035 3.926 3.960 0.001 0.000 0.232 231 G HA3 -0.035 3.926 3.960 0.001 0.000 0.232 231 G C 0.862 176.051 174.900 0.481 0.000 1.116 231 G CA -0.278 45.032 45.100 0.351 0.000 0.767 231 G HN 0.085 nan 8.290 nan 0.000 0.547 232 K N 0.666 121.312 120.400 0.411 0.000 2.074 232 K HA -0.108 4.213 4.320 0.001 0.000 0.209 232 K C 2.064 178.780 176.600 0.193 0.000 1.048 232 K CA 1.170 57.631 56.287 0.290 0.000 0.926 232 K CB 0.046 32.695 32.500 0.249 0.000 0.713 232 K HN 0.117 nan 8.250 nan 0.000 0.444 233 E N 0.989 121.299 120.200 0.183 0.000 2.268 233 E HA -0.156 4.195 4.350 0.001 0.000 0.195 233 E C 1.406 178.051 176.600 0.075 0.000 0.995 233 E CA 0.944 57.426 56.400 0.138 0.000 0.836 233 E CB -0.117 29.661 29.700 0.130 0.000 0.763 233 E HN 0.305 nan 8.360 nan 0.000 0.491 234 D N 0.636 121.070 120.400 0.057 0.000 2.178 234 D HA -0.122 4.519 4.640 0.001 0.000 0.201 234 D C 2.062 178.312 176.300 -0.083 0.000 0.980 234 D CA 0.476 54.478 54.000 0.003 0.000 0.842 234 D CB -0.253 40.510 40.800 -0.062 0.000 0.948 234 D HN 0.225 nan 8.370 nan 0.000 0.472 235 L N 0.566 121.579 121.223 -0.350 0.000 2.187 235 L HA -0.156 4.184 4.340 0.001 0.000 0.213 235 L C 2.262 178.595 176.870 -0.895 0.000 1.100 235 L CA 0.980 55.279 54.840 -0.902 0.000 0.765 235 L CB -0.378 40.966 42.059 -1.191 0.000 0.904 235 L HN 0.017 nan 8.230 nan 0.000 0.437 236 K N -0.283 119.677 120.400 -0.732 0.000 2.057 236 K HA -0.180 4.141 4.320 0.001 0.000 0.207 236 K C 2.093 178.262 176.600 -0.718 0.000 1.049 236 K CA 1.655 57.325 56.287 -1.029 0.000 0.931 236 K CB -0.267 31.415 32.500 -1.363 0.000 0.714 236 K HN 0.257 nan 8.250 nan 0.000 0.440 237 Y N 0.937 121.051 120.300 -0.309 0.000 2.220 237 Y HA -0.117 4.434 4.550 0.001 0.000 0.291 237 Y C 2.301 178.168 175.900 -0.055 0.000 1.129 237 Y CA 0.594 58.612 58.100 -0.137 0.000 1.161 237 Y CB -0.496 37.906 38.460 -0.097 0.000 0.997 237 Y HN -0.022 nan 8.280 nan 0.000 0.522 238 L N -0.775 120.458 121.223 0.016 0.000 2.012 238 L HA -0.219 4.122 4.340 0.001 0.000 0.210 238 L C 2.161 179.057 176.870 0.044 0.000 1.073 238 L CA 1.613 56.443 54.840 -0.017 0.000 0.748 238 L CB -0.485 41.465 42.059 -0.182 0.000 0.891 238 L HN 0.211 nan 8.230 nan 0.000 0.431 239 F N -0.341 119.397 119.950 -0.353 0.000 2.102 239 F HA -0.263 4.265 4.527 0.001 0.000 0.298 239 F C 2.644 178.169 175.800 -0.460 0.000 1.105 239 F CA 0.378 58.026 58.000 -0.587 0.000 1.239 239 F CB -0.492 38.149 39.000 -0.599 0.000 0.991 239 F HN 0.283 nan 8.300 nan 0.000 0.474 240 A N -0.235 122.568 122.820 -0.028 0.000 1.902 240 A HA -0.284 4.037 4.320 0.001 0.000 0.217 240 A C 1.891 179.566 177.584 0.153 0.000 1.181 240 A CA 1.504 53.584 52.037 0.071 0.000 0.623 240 A CB -1.438 17.581 19.000 0.032 0.000 0.818 240 A HN 0.515 nan 8.150 nan 0.000 0.443 241 Y N -1.207 119.119 120.300 0.043 0.000 2.128 241 Y HA -0.305 4.245 4.550 0.001 0.000 0.284 241 Y C 2.241 178.205 175.900 0.105 0.000 1.154 241 Y CA 2.118 60.265 58.100 0.078 0.000 1.149 241 Y CB -0.642 37.860 38.460 0.070 0.000 0.976 241 Y HN 0.471 nan 8.280 nan 0.000 0.505 242 Y N -1.057 119.249 120.300 0.010 0.000 2.145 242 Y HA -0.338 4.212 4.550 0.001 0.000 0.286 242 Y C 1.960 177.833 175.900 -0.045 0.000 1.145 242 Y CA 1.797 59.841 58.100 -0.095 0.000 1.148 242 Y CB -0.625 37.694 38.460 -0.234 0.000 0.981 242 Y HN 0.123 nan 8.280 nan 0.000 0.507 243 Y N 0.531 120.672 120.300 -0.264 0.000 2.352 243 Y HA -0.190 4.361 4.550 0.001 0.000 0.292 243 Y C 2.143 178.038 175.900 -0.008 0.000 1.136 243 Y CA 0.930 58.816 58.100 -0.357 0.000 1.227 243 Y CB -0.875 37.173 38.460 -0.686 0.000 0.991 243 Y HN 0.286 nan 8.280 nan 0.000 0.545 244 N N 0.055 118.871 118.700 0.193 0.000 2.409 244 N HA -0.080 4.661 4.740 0.001 0.000 0.179 244 N C 1.409 176.936 175.510 0.028 0.000 1.032 244 N CA 0.903 54.041 53.050 0.145 0.000 0.898 244 N CB -0.051 38.496 38.487 0.101 0.000 0.971 244 N HN 0.404 nan 8.380 nan 0.000 0.441 245 K N -0.934 119.437 120.400 -0.049 0.000 2.284 245 K HA 0.021 4.341 4.320 0.001 0.000 0.198 245 K C 0.005 176.635 176.600 0.050 0.000 1.048 245 K CA 0.432 56.687 56.287 -0.055 0.000 0.987 245 K CB 0.343 32.761 32.500 -0.137 0.000 0.800 245 K HN 0.063 nan 8.250 nan 0.000 0.486 246 H N -0.060 118.939 119.070 -0.119 0.000 2.699 246 H HA 0.212 4.769 4.556 0.001 0.000 0.256 246 H C -2.661 172.631 175.328 -0.061 0.000 1.376 246 H CA -2.558 53.427 56.048 -0.106 0.000 1.549 246 H CB 1.072 30.727 29.762 -0.178 0.000 1.686 246 H HN -0.154 nan 8.280 nan 0.000 0.550 247 P HA -0.103 nan 4.420 nan 0.000 0.219 247 P C 0.746 178.080 177.300 0.057 0.000 1.146 247 P CA 1.069 64.249 63.100 0.132 0.000 0.808 247 P CB 0.479 32.290 31.700 0.185 0.000 0.779 248 E N -0.323 119.859 120.200 -0.031 0.000 2.463 248 E HA 0.117 4.467 4.350 0.001 0.000 0.191 248 E C 1.197 177.732 176.600 -0.108 0.000 1.083 248 E CA -0.011 56.416 56.400 0.045 0.000 0.872 248 E CB -0.138 29.700 29.700 0.230 0.000 0.966 248 E HN 0.213 nan 8.360 nan 0.000 0.491 249 G N 1.310 109.785 108.800 -0.542 0.000 2.599 249 G HA2 0.311 4.272 3.960 0.001 0.000 0.264 249 G HA3 0.311 4.272 3.960 0.001 0.000 0.264 249 G C -0.105 174.921 174.900 0.210 0.000 1.200 249 G CA -0.161 44.751 45.100 -0.314 0.000 0.896 249 G HN 0.150 nan 8.290 nan 0.000 0.536 250 S N -2.206 113.739 115.700 0.408 0.000 2.579 250 S HA 0.711 5.181 4.470 0.001 0.000 0.272 250 S C -0.795 173.950 174.600 0.242 0.000 1.141 250 S CA -0.271 58.119 58.200 0.317 0.000 0.843 250 S CB 1.588 64.854 63.200 0.110 0.000 1.122 250 S HN 1.831 nan 8.310 nan 0.000 0.468 251 V N 0.122 120.042 119.914 0.011 0.000 2.876 251 V HA 0.763 4.884 4.120 0.001 0.000 0.312 251 V C -0.200 175.589 176.094 -0.508 0.000 1.085 251 V CA -0.921 61.293 62.300 -0.143 0.000 0.945 251 V CB 1.490 33.000 31.823 -0.521 0.000 1.017 251 V HN 1.161 nan 8.190 nan 0.000 0.428 252 N N 2.619 120.969 118.700 -0.584 0.000 2.386 252 N HA 0.235 4.975 4.740 0.001 0.000 0.291 252 N C 0.072 175.331 175.510 -0.418 0.000 1.309 252 N CA 0.421 52.774 53.050 -1.163 0.000 0.948 252 N CB 0.023 37.773 38.487 -1.228 0.000 1.083 252 N HN 0.911 nan 8.380 nan 0.000 0.527 253 D N -2.521 117.591 120.400 -0.479 0.000 2.696 253 D HA 0.145 4.785 4.640 0.001 0.000 0.269 253 D C -0.219 175.928 176.300 -0.256 0.000 1.319 253 D CA -0.274 53.557 54.000 -0.282 0.000 0.826 253 D CB -0.269 40.157 40.800 -0.623 0.000 1.086 253 D HN 0.466 nan 8.370 nan 0.000 0.481 254 R N 0.080 120.340 120.500 -0.401 0.000 2.791 254 R HA 0.248 4.588 4.340 0.001 0.000 0.357 254 R C -0.166 175.933 176.300 -0.336 0.000 1.173 254 R CA -0.274 55.601 56.100 -0.375 0.000 1.060 254 R CB -0.026 29.987 30.300 -0.479 0.000 1.406 254 R HN 0.170 nan 8.270 nan 0.000 0.580 255 W N -0.527 120.764 121.300 -0.014 0.000 2.915 255 W HA 0.252 4.913 4.660 0.001 0.000 0.276 255 W C 1.367 177.929 176.519 0.072 0.000 1.215 255 W CA 0.405 57.797 57.345 0.079 0.000 1.514 255 W CB 0.481 29.986 29.460 0.076 0.000 1.017 255 W HN 0.308 nan 8.180 nan 0.000 0.598 256 G N 1.353 110.286 108.800 0.221 0.000 2.176 256 G HA2 -0.146 3.815 3.960 0.001 0.000 0.252 256 G HA3 -0.146 3.815 3.960 0.001 0.000 0.252 256 G C -0.141 174.796 174.900 0.063 0.000 1.024 256 G CA 0.258 45.426 45.100 0.114 0.000 0.755 256 G HN 0.507 nan 8.290 nan 0.000 0.507 257 V N -4.677 115.249 119.914 0.019 0.000 3.155 257 V HA 0.884 5.004 4.120 0.001 0.000 0.313 257 V C -0.670 175.198 176.094 -0.377 0.000 1.162 257 V CA -1.344 60.796 62.300 -0.267 0.000 1.048 257 V CB 1.240 32.811 31.823 -0.419 0.000 1.092 257 V HN -0.057 nan 8.190 nan 0.000 0.447 258 P HA -0.076 nan 4.420 nan 0.000 0.216 258 P C 0.182 177.312 177.300 -0.284 0.000 1.150 258 P CA 1.541 64.310 63.100 -0.552 0.000 0.843 258 P CB -0.151 31.037 31.700 -0.852 0.000 0.787 259 H N -0.374 118.484 119.070 -0.353 0.000 2.511 259 H HA 0.351 4.908 4.556 0.001 0.000 0.346 259 H C -0.507 174.823 175.328 0.003 0.000 1.128 259 H CA -0.401 55.577 56.048 -0.117 0.000 1.342 259 H CB 0.302 30.181 29.762 0.195 0.000 1.470 259 H HN 0.066 nan 8.280 nan 0.000 0.546 260 W N 3.788 124.503 121.300 -0.976 0.000 3.298 260 W HA 0.218 4.879 4.660 0.001 0.000 0.302 260 W C -1.304 174.812 176.519 -0.673 0.000 1.255 260 W CA -0.612 56.326 57.345 -0.678 0.000 1.196 260 W CB 0.680 29.907 29.460 -0.388 0.000 1.364 260 W HN 0.440 nan 8.180 nan 0.000 0.566 261 D N 1.076 121.374 120.400 -0.170 0.000 2.380 261 D HA 0.134 4.775 4.640 0.001 0.000 0.212 261 D C 0.055 176.559 176.300 0.341 0.000 1.021 261 D CA 1.185 55.168 54.000 -0.029 0.000 0.884 261 D CB 0.907 41.741 40.800 0.057 0.000 1.001 261 D HN 0.241 nan 8.370 nan 0.000 0.506 262 F N -0.742 119.438 119.950 0.383 0.000 2.641 262 F HA 0.524 5.051 4.527 0.001 0.000 0.308 262 F C -0.548 175.323 175.800 0.118 0.000 1.105 262 F CA -1.349 56.861 58.000 0.349 0.000 0.964 262 F CB 1.202 40.298 39.000 0.160 0.000 1.294 262 F HN -0.516 nan 8.300 nan 0.000 0.442 263 K N 0.575 121.049 120.400 0.123 0.000 2.177 263 K HA 0.783 5.104 4.320 0.001 0.000 0.238 263 K C -0.533 176.217 176.600 0.250 0.000 1.015 263 K CA -0.662 55.506 56.287 -0.199 0.000 0.922 263 K CB 1.843 34.053 32.500 -0.483 0.000 1.127 263 K HN 0.919 nan 8.250 nan 0.000 0.469 264 T N -2.694 111.933 114.554 0.122 0.000 2.883 264 T HA 0.784 5.134 4.350 0.001 0.000 0.296 264 T C -1.255 173.643 174.700 0.329 0.000 1.117 264 T CA -1.039 61.263 62.100 0.337 0.000 1.006 264 T CB 1.908 70.914 68.868 0.230 0.000 1.191 264 T HN 0.607 nan 8.240 nan 0.000 0.508 265 A N 0.815 123.935 122.820 0.499 0.000 2.520 265 A HA 0.792 5.112 4.320 0.001 0.000 0.298 265 A C -1.050 176.874 177.584 0.567 0.000 1.051 265 A CA -0.792 51.539 52.037 0.490 0.000 0.690 265 A CB 1.762 21.071 19.000 0.514 0.000 1.281 265 A HN 1.012 nan 8.150 nan 0.000 0.402 266 E N 1.673 122.173 120.200 0.500 0.000 2.216 266 E HA 0.578 4.929 4.350 0.001 0.000 0.260 266 E C -0.744 176.184 176.600 0.546 0.000 0.880 266 E CA -0.429 56.260 56.400 0.482 0.000 0.765 266 E CB 0.650 30.669 29.700 0.531 0.000 1.174 266 E HN 0.652 nan 8.360 nan 0.000 0.417 267 Y N 1.093 121.582 120.300 0.314 0.000 2.857 267 Y HA -0.486 4.065 4.550 0.001 0.000 0.463 267 Y C 1.695 177.734 175.900 0.232 0.000 1.175 267 Y CA 1.716 59.946 58.100 0.218 0.000 2.549 267 Y CB -1.002 37.547 38.460 0.148 0.000 1.208 267 Y HN 0.748 nan 8.280 nan 0.000 0.633 268 H N -0.492 118.833 119.070 0.424 0.000 2.489 268 H HA 0.032 4.588 4.556 0.001 0.000 0.293 268 H C 0.450 175.936 175.328 0.263 0.000 1.066 268 H CA 1.252 57.453 56.048 0.255 0.000 1.305 268 H CB -0.574 29.276 29.762 0.147 0.000 1.386 268 H HN 0.098 nan 8.280 nan 0.000 0.551 269 V N 3.375 123.499 119.914 0.351 0.000 2.485 269 V HA -0.085 4.036 4.120 0.001 0.000 0.287 269 V C 0.842 177.085 176.094 0.248 0.000 1.022 269 V CA 0.006 62.453 62.300 0.246 0.000 1.067 269 V CB 0.264 32.194 31.823 0.179 0.000 0.967 269 V HN 0.541 nan 8.190 nan 0.000 0.479 270 N N 2.126 120.920 118.700 0.156 0.000 2.753 270 N HA -0.256 4.485 4.740 0.001 0.000 0.251 270 N C -0.273 175.254 175.510 0.028 0.000 1.097 270 N CA 0.835 53.929 53.050 0.073 0.000 0.786 270 N CB -1.330 37.184 38.487 0.044 0.000 1.137 270 N HN 0.807 nan 8.380 nan 0.000 0.566 271 Y N 2.775 123.087 120.300 0.019 0.000 2.569 271 Y HA 0.185 4.735 4.550 0.001 0.000 0.332 271 Y C -1.393 174.384 175.900 -0.206 0.000 1.120 271 Y CA -1.154 56.897 58.100 -0.082 0.000 1.416 271 Y CB 0.598 39.053 38.460 -0.008 0.000 1.210 271 Y HN 0.067 nan 8.280 nan 0.000 0.528 272 P HA 0.152 nan 4.420 nan 0.000 0.275 272 P C 0.201 177.367 177.300 -0.222 0.000 1.227 272 P CA -0.158 62.628 63.100 -0.524 0.000 0.781 272 P CB 1.594 32.796 31.700 -0.830 0.000 0.906 273 G N 0.780 109.525 108.800 -0.091 0.000 2.838 273 G HA2 0.025 3.985 3.960 0.001 0.000 0.210 273 G HA3 0.025 3.985 3.960 0.001 0.000 0.210 273 G C 0.213 175.098 174.900 -0.026 0.000 1.153 273 G CA 0.336 45.436 45.100 -0.001 0.000 0.778 273 G HN 0.604 nan 8.290 nan 0.000 0.539 274 D N -1.609 118.742 120.400 -0.082 0.000 2.759 274 D HA 0.253 4.894 4.640 0.001 0.000 0.321 274 D C -0.298 175.945 176.300 -0.096 0.000 1.267 274 D CA -0.838 53.129 54.000 -0.055 0.000 0.933 274 D CB 0.337 41.112 40.800 -0.041 0.000 1.431 274 D HN -0.120 nan 8.370 nan 0.000 0.504 275 L N 1.805 122.997 121.223 -0.050 0.000 2.700 275 L HA 0.121 4.462 4.340 0.001 0.000 0.276 275 L C -1.242 175.529 176.870 -0.165 0.000 1.200 275 L CA -0.673 54.131 54.840 -0.060 0.000 0.951 275 L CB -0.067 41.977 42.059 -0.025 0.000 1.226 275 L HN 0.404 nan 8.230 nan 0.000 0.489 276 P HA 0.031 nan 4.420 nan 0.000 0.224 276 P C 1.075 178.083 177.300 -0.486 0.000 1.157 276 P CA 1.002 63.780 63.100 -0.537 0.000 0.799 276 P CB 0.445 31.503 31.700 -1.070 0.000 0.809 277 G N -1.932 106.665 108.800 -0.338 0.000 2.179 277 G HA2 -0.177 3.784 3.960 0.001 0.000 0.220 277 G HA3 -0.177 3.784 3.960 0.001 0.000 0.220 277 G C -0.133 174.764 174.900 -0.005 0.000 0.990 277 G CA 0.067 45.093 45.100 -0.122 0.000 0.646 277 G HN 0.478 nan 8.290 nan 0.000 0.517 278 Y N -1.640 118.781 120.300 0.202 0.000 2.644 278 Y HA 0.860 5.410 4.550 0.001 0.000 0.338 278 Y C -0.142 175.990 175.900 0.386 0.000 1.119 278 Y CA -2.204 56.075 58.100 0.298 0.000 1.060 278 Y CB 0.580 39.288 38.460 0.413 0.000 1.294 278 Y HN 0.114 nan 8.280 nan 0.000 0.472 279 K N 2.635 123.404 120.400 0.616 0.000 2.270 279 K HA 0.376 4.697 4.320 0.001 0.000 0.276 279 K C -1.114 175.953 176.600 0.779 0.000 1.023 279 K CA -0.286 56.331 56.287 0.550 0.000 0.955 279 K CB 0.355 33.120 32.500 0.440 0.000 0.975 279 K HN 0.791 nan 8.250 nan 0.000 0.471 280 W N 2.012 123.543 121.300 0.386 0.000 3.018 280 W HA 0.573 5.234 4.660 0.001 0.000 0.352 280 W C -1.378 175.351 176.519 0.351 0.000 1.230 280 W CA -0.849 56.736 57.345 0.401 0.000 1.162 280 W CB 0.558 30.198 29.460 0.299 0.000 1.483 280 W HN 0.655 nan 8.180 nan 0.000 0.584 281 E N 1.038 121.522 120.200 0.474 0.000 2.308 281 E HA 0.434 4.784 4.350 0.001 0.000 0.275 281 E C -2.253 174.633 176.600 0.477 0.000 0.890 281 E CA -0.688 55.845 56.400 0.221 0.000 0.754 281 E CB 2.781 32.700 29.700 0.365 0.000 1.207 281 E HN 0.274 nan 8.360 nan 0.000 0.426 282 F N 3.143 123.160 119.950 0.112 0.000 2.410 282 F HA 0.477 5.004 4.527 0.001 0.000 0.349 282 F C -0.474 175.484 175.800 0.265 0.000 1.117 282 F CA -0.077 58.111 58.000 0.313 0.000 1.104 282 F CB 1.677 40.846 39.000 0.281 0.000 1.122 282 F HN 0.317 nan 8.300 nan 0.000 0.483 283 T N 6.742 121.155 114.554 -0.235 0.000 2.893 283 T HA 0.824 5.174 4.350 0.001 0.000 0.291 283 T C -1.217 173.138 174.700 -0.575 0.000 1.028 283 T CA -0.629 61.326 62.100 -0.243 0.000 0.995 283 T CB 1.053 70.094 68.868 0.289 0.000 1.051 283 T HN 0.939 nan 8.240 nan 0.000 0.470 284 R N 1.236 121.425 120.500 -0.519 0.000 2.709 284 R HA 0.640 4.981 4.340 0.001 0.000 0.270 284 R C -0.227 175.633 176.300 -0.733 0.000 1.038 284 R CA -1.236 54.323 56.100 -0.901 0.000 0.872 284 R CB 0.257 29.719 30.300 -1.396 0.000 1.259 284 R HN 0.783 nan 8.270 nan 0.000 0.473 285 G N 0.597 108.848 108.800 -0.916 0.000 2.572 285 G HA2 0.330 4.291 3.960 0.001 0.000 0.261 285 G HA3 0.330 4.291 3.960 0.001 0.000 0.261 285 G C 0.654 175.371 174.900 -0.305 0.000 1.197 285 G CA -0.968 43.762 45.100 -0.617 0.000 0.870 285 G HN 0.570 nan 8.290 nan 0.000 0.548 286 I N 0.721 121.172 120.570 -0.198 0.000 2.252 286 I HA -0.016 4.154 4.170 0.001 0.000 0.245 286 I C 2.195 178.271 176.117 -0.069 0.000 1.102 286 I CA 1.293 62.525 61.300 -0.113 0.000 1.385 286 I CB -0.241 37.714 38.000 -0.075 0.000 1.064 286 I HN 0.550 nan 8.210 nan 0.000 0.414 287 G N -0.064 108.697 108.800 -0.066 0.000 2.882 287 G HA2 0.350 4.311 3.960 0.001 0.000 0.164 287 G HA3 0.350 4.311 3.960 0.001 0.000 0.164 287 G C 0.539 175.454 174.900 0.025 0.000 1.429 287 G CA -0.445 44.648 45.100 -0.013 0.000 1.059 287 G HN 0.119 nan 8.290 nan 0.000 0.581 288 L N 0.019 121.230 121.223 -0.021 0.000 2.607 288 L HA 0.291 4.632 4.340 0.001 0.000 0.228 288 L C 1.179 177.995 176.870 -0.090 0.000 1.123 288 L CA 0.137 54.947 54.840 -0.050 0.000 0.890 288 L CB 0.473 42.456 42.059 -0.126 0.000 1.103 288 L HN 0.333 nan 8.230 nan 0.000 0.468 289 S N -1.653 113.954 115.700 -0.153 0.000 2.677 289 S HA 0.530 5.000 4.470 0.001 0.000 0.304 289 S C 0.205 174.538 174.600 -0.445 0.000 1.108 289 S CA -0.520 57.572 58.200 -0.181 0.000 0.944 289 S CB 1.307 64.437 63.200 -0.117 0.000 1.127 289 S HN 0.053 nan 8.310 nan 0.000 0.511 290 F N 1.232 120.932 119.950 -0.417 0.000 2.419 290 F HA 0.370 4.898 4.527 0.001 0.000 0.283 290 F C 1.841 177.489 175.800 -0.253 0.000 1.044 290 F CA 0.376 58.052 58.000 -0.541 0.000 1.376 290 F CB -0.704 37.541 39.000 -1.258 0.000 1.131 290 F HN 0.688 nan 8.300 nan 0.000 0.585 291 G N -0.769 108.053 108.800 0.036 0.000 2.527 291 G HA2 0.078 4.038 3.960 0.001 0.000 0.248 291 G HA3 0.078 4.038 3.960 0.001 0.000 0.248 291 G C -1.088 173.929 174.900 0.194 0.000 1.231 291 G CA -0.286 44.943 45.100 0.214 0.000 0.838 291 G HN 0.142 nan 8.290 nan 0.000 0.570 292 Y N 1.422 121.798 120.300 0.126 0.000 2.805 292 Y HA 0.128 4.678 4.550 0.001 0.000 0.337 292 Y C 0.089 176.012 175.900 0.040 0.000 1.252 292 Y CA -0.167 57.971 58.100 0.063 0.000 1.515 292 Y CB 0.595 39.106 38.460 0.085 0.000 1.305 292 Y HN 0.465 nan 8.280 nan 0.000 0.600 293 N N 5.086 123.448 118.700 -0.562 0.000 2.549 293 N HA 0.177 4.918 4.740 0.001 0.000 0.281 293 N C 0.233 175.258 175.510 -0.807 0.000 1.084 293 N CA -0.765 51.903 53.050 -0.637 0.000 0.862 293 N CB 0.804 39.059 38.487 -0.388 0.000 1.333 293 N HN 0.795 nan 8.380 nan 0.000 0.523 294 R N 2.034 121.976 120.500 -0.929 0.000 2.328 294 R HA 0.037 4.378 4.340 0.001 0.000 0.207 294 R C -0.293 175.878 176.300 -0.217 0.000 1.056 294 R CA 0.704 56.536 56.100 -0.446 0.000 1.016 294 R CB -0.087 30.117 30.300 -0.160 0.000 0.872 294 R HN 0.252 nan 8.270 nan 0.000 0.471 295 N N 1.070 119.563 118.700 -0.345 0.000 2.422 295 N HA 0.015 4.755 4.740 0.001 0.000 0.181 295 N C -0.422 174.964 175.510 -0.206 0.000 1.080 295 N CA 0.389 53.252 53.050 -0.311 0.000 0.893 295 N CB 0.306 38.435 38.487 -0.597 0.000 0.973 295 N HN 0.429 nan 8.380 nan 0.000 0.456 296 E N -0.205 119.892 120.200 -0.171 0.000 2.283 296 E HA 0.448 4.799 4.350 0.001 0.000 0.278 296 E C 0.368 177.071 176.600 0.172 0.000 1.027 296 E CA -0.452 55.964 56.400 0.027 0.000 0.843 296 E CB 1.323 30.992 29.700 -0.051 0.000 1.062 296 E HN 0.134 nan 8.360 nan 0.000 0.401 297 G N 2.048 111.045 108.800 0.328 0.000 2.820 297 G HA2 0.261 4.221 3.960 0.001 0.000 0.291 297 G HA3 0.261 4.221 3.960 0.001 0.000 0.291 297 G C -1.848 173.054 174.900 0.003 0.000 1.323 297 G CA -1.119 44.024 45.100 0.072 0.000 1.055 297 G HN 0.299 nan 8.290 nan 0.000 0.520 298 P HA -0.045 nan 4.420 nan 0.000 0.225 298 P C 0.750 177.991 177.300 -0.100 0.000 1.148 298 P CA 0.959 64.031 63.100 -0.046 0.000 0.779 298 P CB 0.298 31.976 31.700 -0.037 0.000 0.780 299 E N -0.912 119.160 120.200 -0.213 0.000 2.338 299 E HA -0.158 4.192 4.350 0.001 0.000 0.197 299 E C 1.624 178.038 176.600 -0.310 0.000 1.007 299 E CA 1.025 57.247 56.400 -0.296 0.000 0.849 299 E CB -0.935 28.489 29.700 -0.459 0.000 0.774 299 E HN 0.530 nan 8.360 nan 0.000 0.506 300 H N -0.959 118.089 119.070 -0.036 0.000 2.648 300 H HA 0.295 4.852 4.556 0.001 0.000 0.265 300 H C 0.518 175.829 175.328 -0.029 0.000 0.961 300 H CA 0.243 56.267 56.048 -0.040 0.000 1.185 300 H CB 0.209 29.931 29.762 -0.066 0.000 1.449 300 H HN 0.183 nan 8.280 nan 0.000 0.523 301 M N 0.849 120.481 119.600 0.053 0.000 2.573 301 M HA 0.300 4.781 4.480 0.001 0.000 0.309 301 M C 0.001 176.296 176.300 -0.009 0.000 1.202 301 M CA -0.726 54.586 55.300 0.020 0.000 0.975 301 M CB 2.087 34.690 32.600 0.004 0.000 1.600 301 M HN -0.133 nan 8.290 nan 0.000 0.479 302 L N 1.042 122.249 121.223 -0.027 0.000 2.436 302 L HA 0.246 4.587 4.340 0.001 0.000 0.265 302 L C 0.607 177.433 176.870 -0.073 0.000 1.168 302 L CA -0.326 54.483 54.840 -0.053 0.000 0.815 302 L CB 1.170 43.185 42.059 -0.073 0.000 1.109 302 L HN 0.842 nan 8.230 nan 0.000 0.462 303 S N 0.589 116.231 115.700 -0.097 0.000 2.672 303 S HA 0.250 4.720 4.470 0.001 0.000 0.276 303 S C 1.078 175.583 174.600 -0.158 0.000 1.207 303 S CA -0.992 57.143 58.200 -0.109 0.000 1.002 303 S CB 1.653 64.787 63.200 -0.110 0.000 0.998 303 S HN 0.323 nan 8.310 nan 0.000 0.542 304 V N 1.574 121.402 119.914 -0.143 0.000 2.324 304 V HA -0.215 3.905 4.120 0.001 0.000 0.250 304 V C 2.557 178.462 176.094 -0.316 0.000 1.060 304 V CA 2.466 64.660 62.300 -0.177 0.000 1.042 304 V CB -1.398 30.361 31.823 -0.107 0.000 0.650 304 V HN 0.878 nan 8.190 nan 0.000 0.450 305 E N -0.029 119.954 120.200 -0.362 0.000 2.077 305 E HA -0.228 4.122 4.350 0.001 0.000 0.193 305 E C 2.303 178.319 176.600 -0.973 0.000 0.989 305 E CA 1.336 57.337 56.400 -0.664 0.000 0.800 305 E CB -0.335 29.049 29.700 -0.527 0.000 0.746 305 E HN 0.680 nan 8.360 nan 0.000 0.452 306 Q N -0.018 119.448 119.800 -0.557 0.000 2.124 306 Q HA -0.086 4.255 4.340 0.001 0.000 0.202 306 Q C 2.271 178.081 176.000 -0.318 0.000 0.977 306 Q CA 0.810 56.389 55.803 -0.373 0.000 0.850 306 Q CB -0.119 28.517 28.738 -0.170 0.000 0.901 306 Q HN 0.292 nan 8.270 nan 0.000 0.429 307 L N -0.018 121.017 121.223 -0.314 0.000 2.017 307 L HA -0.211 4.130 4.340 0.001 0.000 0.208 307 L C 2.325 178.965 176.870 -0.383 0.000 1.073 307 L CA 1.009 55.684 54.840 -0.276 0.000 0.745 307 L CB -0.378 41.533 42.059 -0.247 0.000 0.894 307 L HN 0.141 nan 8.230 nan 0.000 0.432 308 V N -0.757 118.821 119.914 -0.559 0.000 2.287 308 V HA -0.366 3.755 4.120 0.001 0.000 0.248 308 V C 2.139 177.901 176.094 -0.553 0.000 1.053 308 V CA 1.985 63.810 62.300 -0.792 0.000 1.027 308 V CB -0.800 30.332 31.823 -1.152 0.000 0.646 308 V HN 0.402 nan 8.190 nan 0.000 0.447 309 Y N 0.028 120.070 120.300 -0.430 0.000 2.224 309 Y HA -0.241 4.310 4.550 0.001 0.000 0.289 309 Y C 2.843 178.594 175.900 -0.248 0.000 1.146 309 Y CA 1.100 59.010 58.100 -0.316 0.000 1.182 309 Y CB -0.571 37.755 38.460 -0.223 0.000 0.983 309 Y HN 0.235 nan 8.280 nan 0.000 0.524 310 T N 0.812 115.315 114.554 -0.084 0.000 2.674 310 T HA -0.196 4.155 4.350 0.001 0.000 0.265 310 T C 1.894 176.545 174.700 -0.081 0.000 1.039 310 T CA 1.339 63.400 62.100 -0.065 0.000 1.150 310 T CB -0.588 68.271 68.868 -0.016 0.000 0.864 310 T HN 0.179 nan 8.240 nan 0.000 0.427 311 L N 1.561 122.680 121.223 -0.173 0.000 1.989 311 L HA -0.096 4.245 4.340 0.001 0.000 0.211 311 L C 2.434 179.196 176.870 -0.179 0.000 1.071 311 L CA 1.686 56.404 54.840 -0.204 0.000 0.749 311 L CB -0.827 41.017 42.059 -0.359 0.000 0.890 311 L HN 0.099 nan 8.230 nan 0.000 0.431 312 V N -0.109 119.675 119.914 -0.218 0.000 2.332 312 V HA -0.335 3.785 4.120 0.001 0.000 0.248 312 V C 2.334 178.373 176.094 -0.092 0.000 1.055 312 V CA 2.070 64.273 62.300 -0.161 0.000 1.038 312 V CB -0.994 30.716 31.823 -0.189 0.000 0.651 312 V HN 0.595 nan 8.190 nan 0.000 0.450 313 D N -0.061 120.300 120.400 -0.065 0.000 2.097 313 D HA -0.150 4.491 4.640 0.001 0.000 0.195 313 D C 2.057 178.392 176.300 0.059 0.000 0.989 313 D CA 1.442 55.444 54.000 0.004 0.000 0.827 313 D CB -0.073 40.744 40.800 0.029 0.000 0.966 313 D HN 0.172 nan 8.370 nan 0.000 0.456 314 V N -0.064 119.869 119.914 0.030 0.000 2.231 314 V HA -0.268 3.853 4.120 0.001 0.000 0.248 314 V C 2.596 178.627 176.094 -0.106 0.000 1.054 314 V CA 1.624 63.904 62.300 -0.033 0.000 1.015 314 V CB -0.584 31.167 31.823 -0.120 0.000 0.638 314 V HN 0.182 nan 8.190 nan 0.000 0.444 315 V N 0.904 120.749 119.914 -0.114 0.000 2.392 315 V HA -0.241 3.880 4.120 0.001 0.000 0.249 315 V C 2.708 178.793 176.094 -0.014 0.000 1.059 315 V CA 2.282 64.520 62.300 -0.102 0.000 1.051 315 V CB -0.880 30.878 31.823 -0.108 0.000 0.658 315 V HN 0.792 nan 8.190 nan 0.000 0.455 316 S N 0.019 115.731 115.700 0.021 0.000 2.442 316 S HA -0.193 4.278 4.470 0.001 0.000 0.236 316 S C 1.661 176.339 174.600 0.131 0.000 1.007 316 S CA 1.245 59.496 58.200 0.085 0.000 0.965 316 S CB -0.413 62.830 63.200 0.070 0.000 0.773 316 S HN 0.660 nan 8.310 nan 0.000 0.504 317 K N 0.632 121.123 120.400 0.151 0.000 2.437 317 K HA 0.334 4.655 4.320 0.001 0.000 0.198 317 K C 1.142 177.941 176.600 0.332 0.000 1.024 317 K CA 0.324 56.758 56.287 0.245 0.000 1.148 317 K CB -0.050 32.660 32.500 0.350 0.000 0.860 317 K HN 0.522 nan 8.250 nan 0.000 0.515 318 G N 0.691 109.579 108.800 0.147 0.000 2.179 318 G HA2 -0.257 3.703 3.960 0.001 0.000 0.260 318 G HA3 -0.257 3.703 3.960 0.001 0.000 0.260 318 G C 0.417 175.206 174.900 -0.185 0.000 0.977 318 G CA -0.042 45.103 45.100 0.074 0.000 0.641 318 G HN 0.517 nan 8.290 nan 0.000 0.533 319 G N -0.800 107.658 108.800 -0.572 0.000 2.537 319 G HA2 0.575 4.535 3.960 0.001 0.000 0.297 319 G HA3 0.575 4.535 3.960 0.001 0.000 0.297 319 G C -0.440 174.072 174.900 -0.647 0.000 1.310 319 G CA -0.411 43.935 45.100 -1.257 0.000 1.027 319 G HN 0.296 nan 8.290 nan 0.000 0.505 320 N N -1.497 116.853 118.700 -0.584 0.000 2.272 320 N HA 0.516 5.256 4.740 0.001 0.000 0.305 320 N C -1.202 174.196 175.510 -0.186 0.000 1.103 320 N CA -0.604 52.253 53.050 -0.322 0.000 0.791 320 N CB 2.187 40.438 38.487 -0.393 0.000 1.356 320 N HN 0.387 nan 8.380 nan 0.000 0.486 321 L N 1.697 122.903 121.223 -0.028 0.000 2.295 321 L HA 0.589 4.930 4.340 0.001 0.000 0.285 321 L C -1.269 175.653 176.870 0.087 0.000 1.035 321 L CA -0.587 54.311 54.840 0.097 0.000 0.806 321 L CB 0.884 43.007 42.059 0.107 0.000 1.214 321 L HN 0.433 nan 8.230 nan 0.000 0.426 322 L N 6.243 127.475 121.223 0.015 0.000 2.426 322 L HA 0.465 4.805 4.340 0.001 0.000 0.255 322 L C -1.031 175.786 176.870 -0.090 0.000 1.080 322 L CA -0.350 54.408 54.840 -0.137 0.000 0.960 322 L CB 0.743 42.663 42.059 -0.233 0.000 1.326 322 L HN 0.698 nan 8.230 nan 0.000 0.441 323 L N 3.801 125.015 121.223 -0.016 0.000 2.360 323 L HA 0.347 4.688 4.340 0.001 0.000 0.276 323 L C 0.100 176.953 176.870 -0.027 0.000 1.121 323 L CA 0.381 55.218 54.840 -0.006 0.000 0.845 323 L CB 0.595 42.729 42.059 0.126 0.000 1.143 323 L HN 0.696 nan 8.230 nan 0.000 0.452 324 N N 3.327 122.021 118.700 -0.010 0.000 2.499 324 N HA 0.498 5.238 4.740 0.001 0.000 0.281 324 N C -1.059 174.396 175.510 -0.090 0.000 1.098 324 N CA -0.480 52.588 53.050 0.030 0.000 0.979 324 N CB 1.262 39.772 38.487 0.038 0.000 1.121 324 N HN 0.482 nan 8.380 nan 0.000 0.466 325 V N 0.820 120.672 119.914 -0.103 0.000 2.555 325 V HA 0.847 4.967 4.120 0.001 0.000 0.302 325 V C 0.346 176.384 176.094 -0.093 0.000 1.038 325 V CA -0.800 61.422 62.300 -0.131 0.000 0.887 325 V CB 1.307 33.012 31.823 -0.196 0.000 0.991 325 V HN 0.680 nan 8.190 nan 0.000 0.434 326 G N 5.029 113.802 108.800 -0.044 0.000 3.005 326 G HA2 0.633 4.594 3.960 0.001 0.000 0.342 326 G HA3 0.633 4.594 3.960 0.001 0.000 0.342 326 G C -2.685 172.228 174.900 0.022 0.000 1.101 326 G CA -1.548 43.588 45.100 0.060 0.000 1.225 326 G HN 0.667 nan 8.290 nan 0.000 0.462 327 P HA 0.125 nan 4.420 nan 0.000 0.271 327 P C 0.299 177.613 177.300 0.022 0.000 1.233 327 P CA -0.073 62.922 63.100 -0.176 0.000 0.789 327 P CB 1.047 32.418 31.700 -0.549 0.000 0.951 328 K N 0.178 120.554 120.400 -0.041 0.000 2.098 328 K HA 0.334 4.655 4.320 0.001 0.000 0.244 328 K C 1.877 178.723 176.600 0.411 0.000 1.014 328 K CA -0.176 56.105 56.287 -0.010 0.000 0.917 328 K CB 0.014 32.414 32.500 -0.166 0.000 1.072 328 K HN 0.492 nan 8.250 nan 0.000 0.477 329 G N 0.914 109.908 108.800 0.323 0.000 2.448 329 G HA2 -0.248 3.713 3.960 0.001 0.000 0.219 329 G HA3 -0.248 3.713 3.960 0.001 0.000 0.219 329 G C 0.817 176.010 174.900 0.489 0.000 1.127 329 G CA 1.175 46.517 45.100 0.404 0.000 0.766 329 G HN 0.817 nan 8.290 nan 0.000 0.552 330 D N -0.885 119.723 120.400 0.347 0.000 2.349 330 D HA 0.227 4.867 4.640 0.001 0.000 0.224 330 D C 1.699 178.225 176.300 0.376 0.000 1.029 330 D CA 0.636 54.812 54.000 0.292 0.000 0.879 330 D CB -0.489 40.424 40.800 0.189 0.000 0.906 330 D HN 0.472 nan 8.370 nan 0.000 0.528 331 G N -0.065 109.055 108.800 0.534 0.000 2.176 331 G HA2 -0.258 3.703 3.960 0.001 0.000 0.253 331 G HA3 -0.258 3.703 3.960 0.001 0.000 0.253 331 G C 0.460 175.643 174.900 0.472 0.000 0.979 331 G CA 0.515 45.914 45.100 0.497 0.000 0.641 331 G HN 0.793 nan 8.290 nan 0.000 0.530 332 T N -0.982 113.751 114.554 0.297 0.000 2.918 332 T HA 0.725 5.075 4.350 0.001 0.000 0.283 332 T C 0.343 175.095 174.700 0.086 0.000 1.001 332 T CA -0.770 61.465 62.100 0.225 0.000 1.041 332 T CB 2.236 71.175 68.868 0.117 0.000 1.028 332 T HN 0.440 nan 8.240 nan 0.000 0.511 333 I N 2.893 123.480 120.570 0.029 0.000 2.304 333 I HA 0.298 4.468 4.170 0.001 0.000 0.291 333 I C -2.169 173.895 176.117 -0.090 0.000 1.018 333 I CA -2.613 58.623 61.300 -0.107 0.000 1.260 333 I CB 1.259 39.154 38.000 -0.175 0.000 1.390 333 I HN 0.462 nan 8.210 nan 0.000 0.475 334 P HA -0.079 nan 4.420 nan 0.000 0.263 334 P C 0.103 177.389 177.300 -0.023 0.000 1.168 334 P CA 0.178 63.227 63.100 -0.084 0.000 0.759 334 P CB 0.542 32.203 31.700 -0.065 0.000 0.782 335 D N 1.833 122.234 120.400 0.001 0.000 2.158 335 D HA -0.149 4.491 4.640 0.001 0.000 0.197 335 D C 1.835 178.143 176.300 0.013 0.000 0.995 335 D CA 1.344 55.350 54.000 0.010 0.000 0.846 335 D CB -0.275 40.536 40.800 0.018 0.000 0.941 335 D HN 0.372 nan 8.370 nan 0.000 0.456 336 L N 0.327 121.565 121.223 0.024 0.000 2.127 336 L HA -0.211 4.129 4.340 0.001 0.000 0.211 336 L C 2.446 179.322 176.870 0.010 0.000 1.089 336 L CA 1.146 55.999 54.840 0.022 0.000 0.757 336 L CB -0.224 41.858 42.059 0.038 0.000 0.899 336 L HN 0.084 nan 8.230 nan 0.000 0.434 337 Q N -0.550 119.253 119.800 0.006 0.000 2.089 337 Q HA -0.180 4.161 4.340 0.001 0.000 0.195 337 Q C 2.176 178.174 176.000 -0.003 0.000 0.963 337 Q CA 0.869 56.668 55.803 -0.007 0.000 0.834 337 Q CB 0.029 28.753 28.738 -0.023 0.000 0.906 337 Q HN 0.326 nan 8.270 nan 0.000 0.452 338 K N 1.308 121.706 120.400 -0.004 0.000 2.063 338 K HA -0.218 4.103 4.320 0.001 0.000 0.208 338 K C 1.728 178.339 176.600 0.018 0.000 1.048 338 K CA 1.477 57.769 56.287 0.007 0.000 0.928 338 K CB 0.132 32.632 32.500 -0.000 0.000 0.713 338 K HN 0.156 nan 8.250 nan 0.000 0.442 339 E N -0.285 119.922 120.200 0.012 0.000 2.110 339 E HA -0.162 4.188 4.350 0.001 0.000 0.193 339 E C 2.078 178.685 176.600 0.013 0.000 0.988 339 E CA 1.095 57.503 56.400 0.014 0.000 0.804 339 E CB 0.120 29.825 29.700 0.008 0.000 0.745 339 E HN 0.266 nan 8.360 nan 0.000 0.458 340 R N 0.228 120.730 120.500 0.004 0.000 2.090 340 R HA -0.018 4.323 4.340 0.001 0.000 0.228 340 R C 2.452 178.761 176.300 0.015 0.000 1.110 340 R CA 0.637 56.732 56.100 -0.009 0.000 0.973 340 R CB -0.263 30.020 30.300 -0.027 0.000 0.869 340 R HN 0.164 nan 8.270 nan 0.000 0.440 341 L N 0.825 122.072 121.223 0.041 0.000 2.042 341 L HA -0.213 4.128 4.340 0.001 0.000 0.210 341 L C 2.382 179.314 176.870 0.104 0.000 1.076 341 L CA 1.361 56.258 54.840 0.095 0.000 0.749 341 L CB -0.400 41.727 42.059 0.113 0.000 0.893 341 L HN 0.204 nan 8.230 nan 0.000 0.432 342 L N -0.918 120.350 121.223 0.075 0.000 2.027 342 L HA -0.114 4.226 4.340 0.001 0.000 0.206 342 L C 2.701 179.616 176.870 0.075 0.000 1.074 342 L CA 1.328 56.213 54.840 0.074 0.000 0.745 342 L CB -1.200 40.890 42.059 0.052 0.000 0.898 342 L HN 0.306 nan 8.230 nan 0.000 0.433 343 G N 0.386 109.218 108.800 0.052 0.000 2.476 343 G HA2 -0.320 3.641 3.960 0.001 0.000 0.218 343 G HA3 -0.320 3.641 3.960 0.001 0.000 0.218 343 G C 1.564 176.515 174.900 0.084 0.000 1.164 343 G CA 1.014 46.146 45.100 0.052 0.000 0.768 343 G HN 0.217 nan 8.290 nan 0.000 0.560 344 L N 1.695 122.949 121.223 0.052 0.000 2.046 344 L HA 0.124 4.465 4.340 0.001 0.000 0.208 344 L C 2.838 179.800 176.870 0.154 0.000 1.077 344 L CA 2.397 57.268 54.840 0.052 0.000 0.747 344 L CB -1.114 40.906 42.059 -0.065 0.000 0.896 344 L HN 0.181 nan 8.230 nan 0.000 0.432 345 G N -1.270 107.627 108.800 0.161 0.000 2.440 345 G HA2 -0.314 3.647 3.960 0.001 0.000 0.218 345 G HA3 -0.314 3.647 3.960 0.001 0.000 0.218 345 G C 1.482 176.476 174.900 0.158 0.000 1.154 345 G CA 0.900 46.112 45.100 0.187 0.000 0.767 345 G HN 0.500 nan 8.290 nan 0.000 0.552 346 E N -0.778 119.505 120.200 0.138 0.000 2.038 346 E HA -0.191 4.160 4.350 0.001 0.000 0.195 346 E C 2.001 178.680 176.600 0.132 0.000 1.000 346 E CA 1.266 57.733 56.400 0.113 0.000 0.803 346 E CB -0.280 29.487 29.700 0.112 0.000 0.750 346 E HN 0.624 nan 8.360 nan 0.000 0.448 347 W N 0.831 122.163 121.300 0.053 0.000 2.358 347 W HA -0.163 4.498 4.660 0.001 0.000 0.303 347 W C 1.735 178.324 176.519 0.118 0.000 1.208 347 W CA 1.316 58.729 57.345 0.113 0.000 1.274 347 W CB -0.197 29.291 29.460 0.047 0.000 1.138 347 W HN 0.040 nan 8.180 nan 0.000 0.515 348 L N 0.276 121.610 121.223 0.185 0.000 2.201 348 L HA -0.173 4.168 4.340 0.001 0.000 0.212 348 L C 2.771 179.631 176.870 -0.017 0.000 1.105 348 L CA 1.396 56.260 54.840 0.039 0.000 0.775 348 L CB -0.744 41.427 42.059 0.186 0.000 0.913 348 L HN -0.022 nan 8.230 nan 0.000 0.440 349 R N 0.398 120.898 120.500 -0.000 0.000 2.092 349 R HA -0.170 4.170 4.340 0.001 0.000 0.231 349 R C 2.138 178.355 176.300 -0.137 0.000 1.119 349 R CA 1.420 57.509 56.100 -0.018 0.000 0.970 349 R CB 0.099 30.395 30.300 -0.007 0.000 0.864 349 R HN 0.317 nan 8.270 nan 0.000 0.440 350 K N -1.039 119.182 120.400 -0.298 0.000 2.044 350 K HA -0.080 4.241 4.320 0.001 0.000 0.204 350 K C 1.507 177.750 176.600 -0.595 0.000 1.045 350 K CA 1.290 57.263 56.287 -0.523 0.000 0.951 350 K CB 0.001 32.027 32.500 -0.791 0.000 0.738 350 K HN 0.197 nan 8.250 nan 0.000 0.443 351 Y N 0.189 120.147 120.300 -0.570 0.000 2.457 351 Y HA 0.193 4.744 4.550 0.001 0.000 0.263 351 Y C 2.040 177.577 175.900 -0.605 0.000 1.164 351 Y CA -0.102 57.576 58.100 -0.703 0.000 1.274 351 Y CB -0.193 37.397 38.460 -1.449 0.000 1.097 351 Y HN 0.124 nan 8.280 nan 0.000 0.523 352 G N 0.327 108.962 108.800 -0.276 0.000 2.517 352 G HA2 -0.383 3.578 3.960 0.001 0.000 0.222 352 G HA3 -0.383 3.578 3.960 0.001 0.000 0.222 352 G C 1.310 176.156 174.900 -0.089 0.000 1.109 352 G CA 1.603 46.592 45.100 -0.186 0.000 0.746 352 G HN 0.396 nan 8.290 nan 0.000 0.576 353 D N 0.278 120.672 120.400 -0.009 0.000 2.312 353 D HA 0.160 4.800 4.640 0.001 0.000 0.211 353 D C 2.306 178.330 176.300 -0.460 0.000 0.964 353 D CA 0.972 54.971 54.000 -0.003 0.000 0.877 353 D CB -0.205 40.726 40.800 0.218 0.000 0.924 353 D HN 0.261 nan 8.370 nan 0.000 0.515 354 A N -0.484 121.806 122.820 -0.884 0.000 2.345 354 A HA 0.234 4.554 4.320 0.001 0.000 0.225 354 A C 1.382 178.523 177.584 -0.738 0.000 1.243 354 A CA -0.055 51.002 52.037 -1.634 0.000 0.875 354 A CB -0.009 18.073 19.000 -1.530 0.000 0.929 354 A HN 0.222 nan 8.150 nan 0.000 0.502 355 I N -2.326 117.964 120.570 -0.466 0.000 3.674 355 I HA 0.147 4.318 4.170 0.001 0.000 0.248 355 I C 0.221 176.221 176.117 -0.194 0.000 1.134 355 I CA 0.091 61.198 61.300 -0.322 0.000 1.519 355 I CB -1.218 36.546 38.000 -0.393 0.000 1.598 355 I HN 0.264 nan 8.210 nan 0.000 0.442 356 Y N 2.000 122.273 120.300 -0.045 0.000 2.610 356 Y HA 0.312 4.863 4.550 0.001 0.000 0.332 356 Y C 1.670 177.573 175.900 0.005 0.000 1.201 356 Y CA 0.892 58.994 58.100 0.003 0.000 1.465 356 Y CB 0.009 38.488 38.460 0.031 0.000 1.283 356 Y HN 0.523 nan 8.280 nan 0.000 0.563 357 G N 1.137 110.053 108.800 0.193 0.000 2.189 357 G HA2 -0.333 3.628 3.960 0.001 0.000 0.267 357 G HA3 -0.333 3.628 3.960 0.001 0.000 0.267 357 G C 0.254 175.224 174.900 0.116 0.000 0.975 357 G CA 0.417 45.599 45.100 0.137 0.000 0.644 357 G HN 0.925 nan 8.290 nan 0.000 0.537 358 T N -1.898 112.711 114.554 0.092 0.000 2.824 358 T HA 0.736 5.087 4.350 0.001 0.000 0.277 358 T C 0.311 175.071 174.700 0.100 0.000 0.975 358 T CA 0.394 62.562 62.100 0.114 0.000 0.966 358 T CB 2.067 70.993 68.868 0.097 0.000 1.054 358 T HN 0.524 nan 8.240 nan 0.000 0.533 359 S N -0.253 115.524 115.700 0.128 0.000 2.634 359 S HA 0.669 5.140 4.470 0.001 0.000 0.296 359 S C 0.204 174.895 174.600 0.152 0.000 1.104 359 S CA -0.714 57.557 58.200 0.120 0.000 0.920 359 S CB 1.571 64.843 63.200 0.120 0.000 1.111 359 S HN 1.020 nan 8.310 nan 0.000 0.493 360 V N 0.015 120.016 119.914 0.146 0.000 3.264 360 V HA 0.592 4.713 4.120 0.001 0.000 0.304 360 V C -0.164 176.087 176.094 0.261 0.000 1.086 360 V CA -0.270 62.141 62.300 0.184 0.000 1.090 360 V CB 0.439 32.344 31.823 0.138 0.000 1.112 360 V HN 0.900 nan 8.190 nan 0.000 0.472 361 W N 0.355 121.684 121.300 0.048 0.000 3.139 361 W HA 0.507 5.168 4.660 0.001 0.000 0.399 361 W C 1.533 178.031 176.519 -0.035 0.000 1.484 361 W CA -0.415 56.927 57.345 -0.005 0.000 1.287 361 W CB 1.220 30.663 29.460 -0.029 0.000 1.948 361 W HN 0.710 nan 8.180 nan 0.000 0.668 362 E N 0.836 120.549 120.200 -0.811 0.000 2.153 362 E HA -0.123 4.227 4.350 0.001 0.000 0.194 362 E C 0.145 176.491 176.600 -0.423 0.000 0.988 362 E CA 1.105 57.087 56.400 -0.697 0.000 0.811 362 E CB -0.003 29.066 29.700 -1.053 0.000 0.746 362 E HN 0.328 nan 8.360 nan 0.000 0.466 363 R N -0.352 119.941 120.500 -0.346 0.000 2.698 363 R HA 0.370 4.710 4.340 0.001 0.000 0.275 363 R C 0.912 177.369 176.300 0.261 0.000 1.001 363 R CA -0.329 55.736 56.100 -0.060 0.000 0.896 363 R CB 0.672 30.908 30.300 -0.106 0.000 1.218 363 R HN 0.036 nan 8.270 nan 0.000 0.462 364 C N -1.532 117.926 119.300 0.263 0.000 2.512 364 C HA 0.456 4.917 4.460 0.001 0.000 0.276 364 C C 0.507 175.713 174.990 0.361 0.000 1.368 364 C CA -0.156 59.055 59.018 0.321 0.000 1.755 364 C CB -0.824 27.013 27.740 0.162 0.000 2.008 364 C HN 0.640 nan 8.230 nan 0.000 0.511 365 C N 0.963 120.470 119.300 0.344 0.000 2.898 365 C HA 0.938 5.398 4.460 0.001 0.000 0.304 365 C C 0.265 175.414 174.990 0.263 0.000 1.237 365 C CA 0.293 59.421 59.018 0.183 0.000 1.529 365 C CB 0.927 28.709 27.740 0.070 0.000 2.021 365 C HN 0.911 nan 8.230 nan 0.000 0.474 366 A N 1.470 124.318 122.820 0.045 0.000 2.515 366 A HA 1.016 5.337 4.320 0.001 0.000 0.299 366 A C -1.714 175.822 177.584 -0.079 0.000 1.179 366 A CA -0.610 51.464 52.037 0.061 0.000 0.656 366 A CB 1.530 20.662 19.000 0.220 0.000 1.306 366 A HN 1.077 nan 8.150 nan 0.000 0.459 367 K N -0.630 119.739 120.400 -0.051 0.000 2.568 367 K HA 0.631 4.951 4.320 0.001 0.000 0.273 367 K C -0.743 175.846 176.600 -0.019 0.000 0.951 367 K CA -0.081 56.165 56.287 -0.069 0.000 0.854 367 K CB 1.450 33.923 32.500 -0.044 0.000 1.424 367 K HN 1.034 nan 8.250 nan 0.000 0.427 368 T N -1.443 113.114 114.554 0.006 0.000 2.904 368 T HA 0.100 4.451 4.350 0.001 0.000 0.290 368 T C 1.091 175.819 174.700 0.047 0.000 1.018 368 T CA -0.327 61.813 62.100 0.067 0.000 1.075 368 T CB 1.429 70.377 68.868 0.134 0.000 0.986 368 T HN 0.847 nan 8.240 nan 0.000 0.523 369 E N 0.813 121.045 120.200 0.053 0.000 2.301 369 E HA -0.232 4.118 4.350 0.001 0.000 0.202 369 E C 1.109 177.727 176.600 0.031 0.000 1.017 369 E CA 1.749 58.173 56.400 0.040 0.000 0.831 369 E CB -0.065 29.662 29.700 0.044 0.000 0.742 369 E HN 0.833 nan 8.360 nan 0.000 0.491 370 D N -2.390 118.031 120.400 0.034 0.000 2.368 370 D HA 0.085 4.725 4.640 0.001 0.000 0.218 370 D C 1.114 177.423 176.300 0.015 0.000 1.112 370 D CA 0.574 54.588 54.000 0.024 0.000 0.834 370 D CB 0.934 41.750 40.800 0.026 0.000 0.953 370 D HN 0.295 nan 8.370 nan 0.000 0.505 371 G N 0.942 109.749 108.800 0.011 0.000 2.176 371 G HA2 -0.255 3.706 3.960 0.001 0.000 0.232 371 G HA3 -0.255 3.706 3.960 0.001 0.000 0.232 371 G C 0.436 175.325 174.900 -0.019 0.000 0.986 371 G CA 0.129 45.226 45.100 -0.005 0.000 0.643 371 G HN 0.363 nan 8.290 nan 0.000 0.522 372 T N 2.539 117.094 114.554 0.001 0.000 2.870 372 T HA 0.436 4.787 4.350 0.001 0.000 0.300 372 T C 0.244 174.903 174.700 -0.068 0.000 0.989 372 T CA 0.041 62.133 62.100 -0.012 0.000 1.139 372 T CB 1.429 70.350 68.868 0.089 0.000 0.920 372 T HN 0.264 nan 8.240 nan 0.000 0.537 373 E N 2.453 122.567 120.200 -0.143 0.000 2.331 373 E HA 0.399 4.750 4.350 0.001 0.000 0.272 373 E C -0.068 176.347 176.600 -0.308 0.000 1.036 373 E CA -0.189 56.090 56.400 -0.200 0.000 0.864 373 E CB 1.375 30.954 29.700 -0.202 0.000 1.035 373 E HN 0.517 nan 8.360 nan 0.000 0.408 374 I N 2.300 122.636 120.570 -0.391 0.000 2.689 374 I HA 0.402 4.573 4.170 0.001 0.000 0.299 374 I C 0.034 175.775 176.117 -0.626 0.000 1.059 374 I CA -0.961 59.959 61.300 -0.634 0.000 1.055 374 I CB 1.655 39.126 38.000 -0.882 0.000 1.243 374 I HN 0.064 nan 8.210 nan 0.000 0.425 375 R N 3.763 123.850 120.500 -0.688 0.000 2.795 375 R HA 0.671 5.011 4.340 0.001 0.000 0.275 375 R C -1.562 174.341 176.300 -0.661 0.000 0.981 375 R CA -0.884 54.901 56.100 -0.524 0.000 0.917 375 R CB 2.044 32.195 30.300 -0.247 0.000 1.202 375 R HN 0.357 nan 8.270 nan 0.000 0.469 376 F N -0.516 119.430 119.950 -0.007 0.000 2.561 376 F HA 0.629 5.156 4.527 0.001 0.000 0.321 376 F C 0.777 176.608 175.800 0.051 0.000 1.065 376 F CA -0.675 57.316 58.000 -0.016 0.000 0.934 376 F CB 2.241 41.239 39.000 -0.005 0.000 1.215 376 F HN 0.489 nan 8.300 nan 0.000 0.471 377 T N -0.802 113.904 114.554 0.254 0.000 2.865 377 T HA 0.816 5.166 4.350 0.001 0.000 0.294 377 T C -1.098 173.769 174.700 0.278 0.000 1.119 377 T CA -1.064 61.184 62.100 0.248 0.000 1.007 377 T CB 2.668 71.637 68.868 0.168 0.000 1.225 377 T HN 0.932 nan 8.240 nan 0.000 0.515 378 R N -0.151 120.513 120.500 0.274 0.000 2.740 378 R HA 0.716 5.057 4.340 0.001 0.000 0.273 378 R C -1.809 174.640 176.300 0.249 0.000 0.998 378 R CA -0.931 55.279 56.100 0.183 0.000 0.900 378 R CB 1.798 32.187 30.300 0.147 0.000 1.223 378 R HN 0.711 nan 8.270 nan 0.000 0.466 379 K N 3.314 123.819 120.400 0.176 0.000 2.740 379 K HA 0.304 4.624 4.320 0.001 0.000 0.246 379 K C -0.691 175.957 176.600 0.079 0.000 1.021 379 K CA -0.537 55.864 56.287 0.189 0.000 1.021 379 K CB 0.865 33.568 32.500 0.339 0.000 1.233 379 K HN 0.873 nan 8.250 nan 0.000 0.497 380 C N 1.138 120.484 119.300 0.077 0.000 0.385 380 C HA -0.342 4.119 4.460 0.001 0.000 0.026 380 C C 1.751 176.755 174.990 0.024 0.000 0.223 380 C CA 1.675 60.724 59.018 0.052 0.000 0.515 380 C CB -1.420 26.348 27.740 0.047 0.000 3.212 380 C HN 1.041 nan 8.230 nan 0.000 1.116 381 N N 1.448 120.146 118.700 -0.003 0.000 2.422 381 N HA 0.107 4.848 4.740 0.001 0.000 0.181 381 N C 0.263 175.708 175.510 -0.108 0.000 1.080 381 N CA 0.550 53.584 53.050 -0.027 0.000 0.893 381 N CB -0.186 38.293 38.487 -0.013 0.000 0.973 381 N HN 0.654 nan 8.380 nan 0.000 0.456 382 R N 0.738 121.137 120.500 -0.168 0.000 2.298 382 R HA 0.371 4.711 4.340 0.001 0.000 0.310 382 R C -0.481 175.486 176.300 -0.554 0.000 1.068 382 R CA -0.230 55.645 56.100 -0.376 0.000 0.957 382 R CB 0.947 30.985 30.300 -0.437 0.000 1.003 382 R HN 0.143 nan 8.270 nan 0.000 0.454 383 I N 4.192 124.383 120.570 -0.632 0.000 2.362 383 I HA 0.270 4.440 4.170 0.001 0.000 0.289 383 I C -0.550 175.184 176.117 -0.638 0.000 0.994 383 I CA -0.607 60.292 61.300 -0.668 0.000 1.158 383 I CB 0.965 38.475 38.000 -0.818 0.000 1.315 383 I HN 0.359 nan 8.210 nan 0.000 0.451 384 F N 5.456 125.303 119.950 -0.171 0.000 2.394 384 F HA 0.439 4.966 4.527 0.001 0.000 0.340 384 F C 0.234 175.961 175.800 -0.121 0.000 1.105 384 F CA -0.828 57.090 58.000 -0.136 0.000 1.124 384 F CB 1.286 40.186 39.000 -0.165 0.000 1.145 384 F HN 0.023 nan 8.300 nan 0.000 0.505 385 V N 5.317 125.258 119.914 0.044 0.000 2.293 385 V HA 0.345 4.465 4.120 0.001 0.000 0.275 385 V C -0.106 175.928 176.094 -0.100 0.000 1.021 385 V CA -0.577 61.667 62.300 -0.092 0.000 0.815 385 V CB 0.774 32.581 31.823 -0.026 0.000 1.025 385 V HN 0.549 nan 8.190 nan 0.000 0.448 386 I N 5.234 125.661 120.570 -0.238 0.000 2.328 386 I HA 0.422 4.593 4.170 0.001 0.000 0.287 386 I C -0.491 175.490 176.117 -0.228 0.000 1.012 386 I CA -0.246 60.966 61.300 -0.147 0.000 1.195 386 I CB 0.989 38.903 38.000 -0.143 0.000 1.350 386 I HN 0.348 nan 8.210 nan 0.000 0.464 387 F N 5.932 125.760 119.950 -0.204 0.000 2.412 387 F HA 0.296 4.824 4.527 0.001 0.000 0.348 387 F C 0.581 176.221 175.800 -0.266 0.000 1.102 387 F CA -0.478 57.393 58.000 -0.214 0.000 1.196 387 F CB 0.844 39.761 39.000 -0.138 0.000 1.144 387 F HN 0.246 nan 8.300 nan 0.000 0.541 388 L N 4.479 125.553 121.223 -0.247 0.000 2.399 388 L HA 0.513 4.853 4.340 0.001 0.000 0.257 388 L C 0.559 177.068 176.870 -0.602 0.000 1.236 388 L CA -0.227 54.207 54.840 -0.676 0.000 1.144 388 L CB -1.102 40.396 42.059 -0.936 0.000 1.379 388 L HN 0.902 nan 8.230 nan 0.000 0.414 389 G N 2.434 111.135 108.800 -0.165 0.000 2.334 389 G HA2 0.050 4.010 3.960 0.001 0.000 0.315 389 G HA3 0.050 4.010 3.960 0.001 0.000 0.315 389 G C -1.232 173.692 174.900 0.039 0.000 1.284 389 G CA -0.986 44.129 45.100 0.024 0.000 0.985 389 G HN 0.189 nan 8.290 nan 0.000 0.504 390 I N 1.235 121.821 120.570 0.026 0.000 2.439 390 I HA 0.333 4.504 4.170 0.001 0.000 0.283 390 I C -2.354 173.734 176.117 -0.048 0.000 1.023 390 I CA -1.740 59.545 61.300 -0.025 0.000 1.100 390 I CB 1.946 39.957 38.000 0.018 0.000 1.238 390 I HN 0.198 nan 8.210 nan 0.000 0.445 391 P HA 0.105 nan 4.420 nan 0.000 0.268 391 P C 1.079 178.343 177.300 -0.059 0.000 1.205 391 P CA -0.156 62.894 63.100 -0.083 0.000 0.771 391 P CB 0.760 32.377 31.700 -0.138 0.000 0.858 392 T N -0.406 114.131 114.554 -0.028 0.000 2.770 392 T HA 0.011 4.362 4.350 0.001 0.000 0.263 392 T C 1.106 175.795 174.700 -0.020 0.000 1.039 392 T CA 0.748 62.838 62.100 -0.017 0.000 1.142 392 T CB -0.953 67.911 68.868 -0.006 0.000 0.868 392 T HN 0.472 nan 8.240 nan 0.000 0.435 393 G N 0.618 109.407 108.800 -0.017 0.000 2.444 393 G HA2 0.380 4.340 3.960 0.001 0.000 0.268 393 G HA3 0.380 4.340 3.960 0.001 0.000 0.268 393 G C 0.383 175.271 174.900 -0.020 0.000 1.203 393 G CA -0.612 44.481 45.100 -0.012 0.000 0.835 393 G HN 0.469 nan 8.290 nan 0.000 0.543 394 E N 0.363 120.555 120.200 -0.013 0.000 2.338 394 E HA -0.067 4.284 4.350 0.001 0.000 0.197 394 E C 0.870 177.471 176.600 0.001 0.000 1.007 394 E CA 0.535 56.927 56.400 -0.013 0.000 0.849 394 E CB 0.256 29.952 29.700 -0.008 0.000 0.774 394 E HN 0.354 nan 8.360 nan 0.000 0.506 395 K N 1.646 122.052 120.400 0.010 0.000 2.253 395 K HA 0.311 4.631 4.320 0.001 0.000 0.277 395 K C -0.968 175.653 176.600 0.036 0.000 1.053 395 K CA -0.202 56.102 56.287 0.028 0.000 0.892 395 K CB 0.628 33.146 32.500 0.030 0.000 1.102 395 K HN -0.069 nan 8.250 nan 0.000 0.469 396 I N 4.568 125.173 120.570 0.057 0.000 2.378 396 I HA 0.203 4.374 4.170 0.001 0.000 0.291 396 I C -0.678 175.510 176.117 0.120 0.000 0.992 396 I CA -1.072 60.282 61.300 0.089 0.000 1.154 396 I CB 2.040 40.100 38.000 0.100 0.000 1.315 396 I HN 0.227 nan 8.210 nan 0.000 0.448 397 V N 7.730 127.712 119.914 0.114 0.000 2.334 397 V HA 0.413 4.534 4.120 0.001 0.000 0.281 397 V C 0.128 176.292 176.094 0.117 0.000 1.016 397 V CA -0.436 61.928 62.300 0.107 0.000 0.832 397 V CB 1.433 33.302 31.823 0.076 0.000 0.999 397 V HN 0.467 nan 8.190 nan 0.000 0.439 398 I N 4.313 124.958 120.570 0.127 0.000 2.331 398 I HA 0.360 4.531 4.170 0.001 0.000 0.292 398 I C 0.533 176.705 176.117 0.092 0.000 0.998 398 I CA -0.410 60.954 61.300 0.107 0.000 1.267 398 I CB 1.307 39.376 38.000 0.116 0.000 1.386 398 I HN 0.598 nan 8.210 nan 0.000 0.476 399 E N 5.184 125.427 120.200 0.071 0.000 2.354 399 E HA 0.064 4.415 4.350 0.001 0.000 0.269 399 E C -0.576 176.066 176.600 0.069 0.000 1.036 399 E CA -0.281 56.157 56.400 0.062 0.000 0.876 399 E CB 0.480 30.207 29.700 0.045 0.000 1.009 399 E HN 0.496 nan 8.360 nan 0.000 0.416 400 D N 0.970 121.404 120.400 0.058 0.000 2.772 400 D HA -0.205 4.435 4.640 0.001 0.000 0.233 400 D C -0.960 175.377 176.300 0.062 0.000 1.143 400 D CA 0.840 54.871 54.000 0.051 0.000 0.700 400 D CB -1.043 39.781 40.800 0.040 0.000 1.076 400 D HN 0.115 nan 8.370 nan 0.000 0.430 401 L N -0.182 121.090 121.223 0.081 0.000 2.455 401 L HA 0.521 4.861 4.340 0.001 0.000 0.264 401 L C -1.181 175.749 176.870 0.099 0.000 0.968 401 L CA -0.435 54.463 54.840 0.096 0.000 0.827 401 L CB 2.037 44.187 42.059 0.151 0.000 1.317 401 L HN -0.001 nan 8.230 nan 0.000 0.407 402 N N 4.223 122.979 118.700 0.094 0.000 2.229 402 N HA 0.696 5.436 4.740 0.001 0.000 0.298 402 N C -1.699 173.886 175.510 0.125 0.000 1.114 402 N CA -0.715 52.400 53.050 0.108 0.000 0.776 402 N CB 2.359 40.892 38.487 0.077 0.000 1.501 402 N HN 0.453 nan 8.380 nan 0.000 0.474 403 L N 0.599 121.916 121.223 0.157 0.000 2.323 403 L HA 0.443 4.783 4.340 0.001 0.000 0.265 403 L C 0.747 177.719 176.870 0.170 0.000 1.012 403 L CA -0.328 54.599 54.840 0.144 0.000 0.820 403 L CB 2.040 44.139 42.059 0.067 0.000 1.334 403 L HN 0.644 nan 8.230 nan 0.000 0.427 404 S N -0.867 114.915 115.700 0.137 0.000 2.730 404 S HA 0.201 4.672 4.470 0.001 0.000 0.244 404 S C 1.081 175.756 174.600 0.124 0.000 1.022 404 S CA 0.186 58.461 58.200 0.126 0.000 1.014 404 S CB 0.795 64.046 63.200 0.086 0.000 0.963 404 S HN 0.653 nan 8.310 nan 0.000 0.540 405 A N 2.139 125.029 122.820 0.117 0.000 1.858 405 A HA 0.413 4.733 4.320 0.001 0.000 0.216 405 A C 2.186 179.860 177.584 0.151 0.000 1.190 405 A CA 1.827 53.910 52.037 0.077 0.000 0.617 405 A CB -1.417 17.558 19.000 -0.041 0.000 0.827 405 A HN 1.638 nan 8.150 nan 0.000 0.443 406 G N -2.641 106.364 108.800 0.343 0.000 2.317 406 G HA2 -0.166 3.795 3.960 0.001 0.000 0.227 406 G HA3 -0.166 3.795 3.960 0.001 0.000 0.227 406 G C 0.646 175.791 174.900 0.408 0.000 1.042 406 G CA 1.198 46.500 45.100 0.337 0.000 0.623 406 G HN 1.738 nan 8.290 nan 0.000 0.509 407 T N -0.485 114.216 114.554 0.245 0.000 2.921 407 T HA 0.625 4.976 4.350 0.001 0.000 0.297 407 T C -1.302 173.370 174.700 -0.045 0.000 1.013 407 T CA 0.067 62.273 62.100 0.177 0.000 0.990 407 T CB 2.039 70.966 68.868 0.098 0.000 1.023 407 T HN 0.899 nan 8.240 nan 0.000 0.447 408 V N 6.299 126.169 119.914 -0.072 0.000 2.447 408 V HA 0.557 4.678 4.120 0.001 0.000 0.292 408 V C -0.050 176.037 176.094 -0.011 0.000 1.021 408 V CA -0.863 61.325 62.300 -0.187 0.000 0.850 408 V CB 1.607 33.162 31.823 -0.447 0.000 1.005 408 V HN 0.886 nan 8.190 nan 0.000 0.426 409 R N 2.119 122.629 120.500 0.016 0.000 2.674 409 R HA 0.519 4.860 4.340 0.001 0.000 0.266 409 R C -0.242 176.144 176.300 0.144 0.000 1.016 409 R CA -0.879 55.269 56.100 0.081 0.000 1.062 409 R CB 1.346 31.684 30.300 0.063 0.000 1.142 409 R HN 0.766 nan 8.270 nan 0.000 0.517 410 H N 3.162 122.277 119.070 0.075 0.000 2.705 410 H HA -0.001 4.556 4.556 0.001 0.000 0.291 410 H C 0.458 175.872 175.328 0.144 0.000 1.085 410 H CA -0.208 55.908 56.048 0.113 0.000 1.357 410 H CB 0.403 30.211 29.762 0.075 0.000 1.419 410 H HN 0.669 nan 8.280 nan 0.000 0.462 411 F N 4.916 124.739 119.950 -0.212 0.000 2.054 411 F HA -0.398 4.129 4.527 0.001 0.000 0.294 411 F C 1.676 177.417 175.800 -0.098 0.000 1.126 411 F CA 2.154 60.093 58.000 -0.101 0.000 1.226 411 F CB -0.252 38.745 39.000 -0.005 0.000 0.947 411 F HN 0.572 nan 8.300 nan 0.000 0.509 412 L N -0.452 120.610 121.223 -0.268 0.000 2.042 412 L HA -0.243 4.097 4.340 0.001 0.000 0.210 412 L C 2.499 179.294 176.870 -0.124 0.000 1.076 412 L CA 2.153 56.840 54.840 -0.256 0.000 0.749 412 L CB -0.965 41.087 42.059 -0.012 0.000 0.893 412 L HN 0.510 nan 8.230 nan 0.000 0.432 413 T N -4.867 109.771 114.554 0.141 0.000 3.057 413 T HA 0.195 4.545 4.350 0.001 0.000 0.254 413 T C 1.502 176.225 174.700 0.039 0.000 1.094 413 T CA 0.552 62.715 62.100 0.103 0.000 1.088 413 T CB 0.659 69.617 68.868 0.151 0.000 0.934 413 T HN 0.465 nan 8.240 nan 0.000 0.497 414 G N 1.536 110.358 108.800 0.037 0.000 2.179 414 G HA2 -0.254 3.706 3.960 0.001 0.000 0.260 414 G HA3 -0.254 3.706 3.960 0.001 0.000 0.260 414 G C -0.147 174.784 174.900 0.053 0.000 0.977 414 G CA 0.105 45.207 45.100 0.004 0.000 0.641 414 G HN 0.657 nan 8.290 nan 0.000 0.533 415 E N 0.986 121.242 120.200 0.092 0.000 2.406 415 E HA 0.232 4.582 4.350 0.001 0.000 0.258 415 E C 0.944 177.596 176.600 0.086 0.000 1.043 415 E CA -0.343 56.099 56.400 0.071 0.000 0.929 415 E CB 0.450 30.174 29.700 0.040 0.000 0.969 415 E HN 0.408 nan 8.360 nan 0.000 0.462 416 R N 3.131 123.671 120.500 0.066 0.000 2.566 416 R HA 0.011 4.352 4.340 0.001 0.000 0.273 416 R C -0.508 175.849 176.300 0.095 0.000 0.981 416 R CA 0.626 56.774 56.100 0.080 0.000 1.091 416 R CB 0.265 30.606 30.300 0.069 0.000 0.924 416 R HN 0.432 nan 8.270 nan 0.000 0.411 417 L N 1.722 123.022 121.223 0.129 0.000 2.333 417 L HA 0.407 4.748 4.340 0.001 0.000 0.263 417 L C -0.241 176.762 176.870 0.221 0.000 1.014 417 L CA -0.989 53.938 54.840 0.144 0.000 0.820 417 L CB 2.084 44.228 42.059 0.141 0.000 1.352 417 L HN 0.583 nan 8.230 nan 0.000 0.421 418 S N 1.441 117.251 115.700 0.183 0.000 2.489 418 S HA 0.685 5.155 4.470 0.001 0.000 0.277 418 S C -0.803 173.960 174.600 0.272 0.000 1.230 418 S CA -0.408 57.898 58.200 0.176 0.000 1.053 418 S CB 0.031 63.279 63.200 0.079 0.000 0.955 418 S HN 0.414 nan 8.310 nan 0.000 0.488 419 F N 2.075 122.048 119.950 0.039 0.000 2.686 419 F HA 0.863 5.391 4.527 0.001 0.000 0.311 419 F C -1.276 174.548 175.800 0.039 0.000 1.128 419 F CA -1.148 56.880 58.000 0.045 0.000 0.946 419 F CB 1.121 40.155 39.000 0.057 0.000 1.336 419 F HN 0.686 nan 8.300 nan 0.000 0.457 420 K N 0.822 121.212 120.400 -0.016 0.000 2.598 420 K HA 0.409 4.730 4.320 0.001 0.000 0.271 420 K C -2.184 174.467 176.600 0.085 0.000 0.947 420 K CA -0.934 55.278 56.287 -0.125 0.000 0.854 420 K CB 1.528 33.949 32.500 -0.131 0.000 1.401 420 K HN 0.629 nan 8.250 nan 0.000 0.415 421 N N 1.905 120.653 118.700 0.079 0.000 2.420 421 N HA 0.127 4.867 4.740 0.001 0.000 0.262 421 N C -0.745 174.798 175.510 0.056 0.000 1.144 421 N CA -0.325 52.785 53.050 0.100 0.000 0.952 421 N CB 1.497 40.042 38.487 0.097 0.000 1.081 421 N HN 0.356 nan 8.380 nan 0.000 0.480 422 V N 2.274 122.225 119.914 0.062 0.000 2.217 422 V HA 0.386 4.507 4.120 0.001 0.000 0.264 422 V C 1.176 177.294 176.094 0.041 0.000 1.107 422 V CA -0.103 62.223 62.300 0.043 0.000 0.913 422 V CB -0.217 31.632 31.823 0.043 0.000 1.153 422 V HN 1.007 nan 8.190 nan 0.000 0.469 423 G N 4.947 113.767 108.800 0.035 0.000 2.527 423 G HA2 -0.312 3.648 3.960 0.001 0.000 0.262 423 G HA3 -0.312 3.648 3.960 0.001 0.000 0.262 423 G C 0.807 175.729 174.900 0.036 0.000 1.153 423 G CA 0.452 45.570 45.100 0.031 0.000 0.954 423 G HN 0.847 nan 8.290 nan 0.000 0.552 424 K N 1.117 121.538 120.400 0.035 0.000 2.444 424 K HA 0.247 4.567 4.320 0.001 0.000 0.193 424 K C 0.546 177.176 176.600 0.050 0.000 1.024 424 K CA 0.806 57.115 56.287 0.036 0.000 1.077 424 K CB 0.038 32.555 32.500 0.028 0.000 0.833 424 K HN 0.360 nan 8.250 nan 0.000 0.517 425 N N 0.723 119.458 118.700 0.059 0.000 2.525 425 N HA 0.382 5.122 4.740 0.001 0.000 0.288 425 N C -1.640 173.928 175.510 0.098 0.000 1.242 425 N CA -0.844 52.252 53.050 0.076 0.000 0.905 425 N CB 1.415 39.944 38.487 0.070 0.000 1.258 425 N HN 0.079 nan 8.380 nan 0.000 0.551 426 L N -0.180 121.115 121.223 0.120 0.000 2.362 426 L HA 0.491 4.832 4.340 0.001 0.000 0.275 426 L C -0.665 176.301 176.870 0.161 0.000 0.998 426 L CA -0.262 54.674 54.840 0.160 0.000 0.820 426 L CB 1.397 43.559 42.059 0.171 0.000 1.270 426 L HN 0.473 nan 8.230 nan 0.000 0.415 427 E N 5.006 125.313 120.200 0.178 0.000 2.187 427 E HA 0.651 5.002 4.350 0.001 0.000 0.268 427 E C -1.321 175.402 176.600 0.204 0.000 0.896 427 E CA -0.485 56.009 56.400 0.157 0.000 0.766 427 E CB 1.709 31.474 29.700 0.109 0.000 1.142 427 E HN 0.573 nan 8.360 nan 0.000 0.408 428 I N 1.272 121.949 120.570 0.179 0.000 2.828 428 I HA 0.389 4.560 4.170 0.001 0.000 0.302 428 I C -0.529 175.662 176.117 0.123 0.000 1.101 428 I CA -0.863 60.551 61.300 0.190 0.000 1.031 428 I CB 2.606 40.716 38.000 0.183 0.000 1.231 428 I HN 0.322 nan 8.210 nan 0.000 0.427 429 T N 3.529 118.149 114.554 0.110 0.000 2.809 429 T HA 0.481 4.832 4.350 0.001 0.000 0.284 429 T C -0.576 174.154 174.700 0.051 0.000 0.992 429 T CA -0.450 61.688 62.100 0.064 0.000 0.957 429 T CB 1.675 70.575 68.868 0.053 0.000 0.942 429 T HN 0.232 nan 8.240 nan 0.000 0.439 430 V N 5.984 125.909 119.914 0.018 0.000 2.334 430 V HA 0.340 4.460 4.120 0.001 0.000 0.281 430 V C -2.401 173.675 176.094 -0.031 0.000 1.016 430 V CA -2.432 59.865 62.300 -0.004 0.000 0.832 430 V CB 1.107 32.914 31.823 -0.026 0.000 0.999 430 V HN 0.650 nan 8.190 nan 0.000 0.439 431 P HA 0.064 nan 4.420 nan 0.000 0.262 431 P C 0.741 178.001 177.300 -0.067 0.000 1.199 431 P CA -0.084 62.986 63.100 -0.049 0.000 0.763 431 P CB 0.616 32.283 31.700 -0.056 0.000 0.790 432 K N 5.617 125.990 120.400 -0.045 0.000 2.242 432 K HA -0.252 4.069 4.320 0.001 0.000 0.206 432 K C 1.604 178.176 176.600 -0.047 0.000 1.045 432 K CA 2.014 58.277 56.287 -0.041 0.000 0.930 432 K CB -0.186 32.298 32.500 -0.025 0.000 0.726 432 K HN 0.416 nan 8.250 nan 0.000 0.462 433 K N -0.101 120.264 120.400 -0.057 0.000 2.097 433 K HA -0.139 4.182 4.320 0.001 0.000 0.206 433 K C 1.899 178.445 176.600 -0.090 0.000 1.049 433 K CA 1.616 57.868 56.287 -0.059 0.000 0.933 433 K CB -0.344 32.121 32.500 -0.057 0.000 0.717 433 K HN 0.133 nan 8.250 nan 0.000 0.442 434 L N 0.972 122.096 121.223 -0.166 0.000 2.095 434 L HA -0.048 4.293 4.340 0.001 0.000 0.204 434 L C 2.598 179.369 176.870 -0.166 0.000 1.080 434 L CA 0.740 55.377 54.840 -0.338 0.000 0.759 434 L CB -0.495 41.164 42.059 -0.667 0.000 0.914 434 L HN 0.161 nan 8.230 nan 0.000 0.439 435 L N -0.051 121.118 121.223 -0.089 0.000 2.043 435 L HA -0.249 4.092 4.340 0.001 0.000 0.212 435 L C 2.219 179.108 176.870 0.032 0.000 1.075 435 L CA 1.467 56.304 54.840 -0.004 0.000 0.752 435 L CB -0.408 41.632 42.059 -0.032 0.000 0.891 435 L HN 0.303 nan 8.230 nan 0.000 0.432 436 E N -1.325 118.879 120.200 0.007 0.000 2.516 436 E HA -0.141 4.210 4.350 0.001 0.000 0.199 436 E C 1.861 178.492 176.600 0.050 0.000 1.069 436 E CA 0.523 56.939 56.400 0.027 0.000 0.876 436 E CB 0.190 29.895 29.700 0.009 0.000 0.843 436 E HN 0.267 nan 8.360 nan 0.000 0.530 437 T N 0.194 114.787 114.554 0.065 0.000 2.976 437 T HA -0.049 4.301 4.350 0.001 0.000 0.257 437 T C 0.443 175.248 174.700 0.175 0.000 1.051 437 T CA 0.186 62.344 62.100 0.098 0.000 1.141 437 T CB 0.109 69.027 68.868 0.083 0.000 0.881 437 T HN 0.078 nan 8.240 nan 0.000 0.461 438 D N 0.902 121.455 120.400 0.255 0.000 2.400 438 D HA 0.070 4.711 4.640 0.001 0.000 0.238 438 D C 0.914 177.390 176.300 0.294 0.000 1.157 438 D CA 0.129 54.339 54.000 0.349 0.000 0.889 438 D CB 1.473 42.474 40.800 0.335 0.000 1.199 438 D HN 0.166 nan 8.370 nan 0.000 0.436 439 S N 0.601 116.555 115.700 0.424 0.000 2.384 439 S HA 0.086 4.556 4.470 0.001 0.000 0.217 439 S C 1.617 176.389 174.600 0.286 0.000 1.041 439 S CA 0.278 58.681 58.200 0.338 0.000 0.948 439 S CB 0.178 63.612 63.200 0.390 0.000 0.872 439 S HN 0.483 nan 8.310 nan 0.000 0.512 440 I N 0.634 121.406 120.570 0.335 0.000 4.592 440 I HA 0.191 4.361 4.170 0.001 0.000 0.329 440 I C -0.345 175.886 176.117 0.191 0.000 1.309 440 I CA 0.125 61.543 61.300 0.196 0.000 1.243 440 I CB 1.407 39.435 38.000 0.046 0.000 1.241 440 I HN 0.307 nan 8.210 nan 0.000 0.434 441 T N -0.322 114.322 114.554 0.149 0.000 2.916 441 T HA 0.567 4.918 4.350 0.001 0.000 0.298 441 T C -0.915 173.767 174.700 -0.030 0.000 1.031 441 T CA -0.637 61.496 62.100 0.055 0.000 0.993 441 T CB 2.503 71.383 68.868 0.020 0.000 1.045 441 T HN -0.028 nan 8.240 nan 0.000 0.454 442 L N 3.398 124.631 121.223 0.017 0.000 2.319 442 L HA 0.734 5.074 4.340 0.001 0.000 0.280 442 L C -0.958 175.955 176.870 0.072 0.000 1.099 442 L CA -0.133 54.702 54.840 -0.008 0.000 0.828 442 L CB 0.643 42.539 42.059 -0.271 0.000 1.150 442 L HN 0.661 nan 8.230 nan 0.000 0.442 443 V N 6.309 126.253 119.914 0.050 0.000 2.680 443 V HA 0.557 4.677 4.120 0.001 0.000 0.309 443 V C 0.036 176.198 176.094 0.114 0.000 1.052 443 V CA -0.625 61.713 62.300 0.064 0.000 0.908 443 V CB 1.670 33.440 31.823 -0.088 0.000 1.001 443 V HN 0.731 nan 8.190 nan 0.000 0.431 444 L N 2.891 124.214 121.223 0.166 0.000 2.333 444 L HA 0.737 5.078 4.340 0.001 0.000 0.263 444 L C -0.524 176.426 176.870 0.133 0.000 1.014 444 L CA -0.618 54.317 54.840 0.158 0.000 0.820 444 L CB 2.447 44.608 42.059 0.170 0.000 1.352 444 L HN 0.706 nan 8.230 nan 0.000 0.421 445 E N 1.049 121.302 120.200 0.088 0.000 2.246 445 E HA 0.676 5.027 4.350 0.001 0.000 0.266 445 E C -1.624 174.898 176.600 -0.130 0.000 0.880 445 E CA -0.629 55.754 56.400 -0.028 0.000 0.762 445 E CB 2.157 31.915 29.700 0.097 0.000 1.180 445 E HN 0.693 nan 8.360 nan 0.000 0.416 446 A N 3.490 126.164 122.820 -0.244 0.000 2.317 446 A HA 0.606 4.927 4.320 0.001 0.000 0.327 446 A C -0.950 176.490 177.584 -0.241 0.000 1.178 446 A CA -0.649 51.236 52.037 -0.254 0.000 0.817 446 A CB 1.409 20.226 19.000 -0.306 0.000 1.189 446 A HN 0.381 nan 8.150 nan 0.000 0.489 447 V N 3.599 123.419 119.914 -0.157 0.000 2.376 447 V HA 0.293 4.414 4.120 0.001 0.000 0.287 447 V C 0.214 176.273 176.094 -0.060 0.000 1.015 447 V CA -0.633 61.599 62.300 -0.112 0.000 0.834 447 V CB 0.720 32.500 31.823 -0.071 0.000 1.001 447 V HN 1.085 nan 8.190 nan 0.000 0.428 448 E N 0.000 120.170 120.200 -0.049 0.000 2.725 448 E HA 0.000 4.351 4.350 0.001 0.000 0.291 448 E CA 0.000 56.400 56.400 -0.000 0.000 0.976 448 E CB 0.000 29.714 29.700 0.023 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440