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 1v02_1_B DATA FIRST_RESID 13 DATA SEQUENCE RLSPWEIPRR DWFPPSFLFG AATSAYQIEG AWNEDGKGPS TWDHFCHNFP DATA SEQUENCE EWIVDRSNGD VAADSYHMYA EDVRLLKEMG MDAYRFSISW PRILPKGTLA DATA SEQUENCE GGINEKRVEY YNKLIDLLLE NGIEPYITIF HWDTPQALVD AYGGFLDERI DATA SEQUENCE IKDYTDFAKV CFEKFGKTVK NWLTFNEPET FCSVSYGTGV LAPGRcSPGV DATA SEQUENCE ScAVPTGNSL SEPYIVAHNL LRAHAETVDI YNKYHKGADG RIGLALNVFG DATA SEQUENCE RVPYTNTFLD QQAQERSMDK CLGWFLEPVV RGDYPFSMRV SARDRVPYFK DATA SEQUENCE EKEQEKLVGS YDMIGINYYT STFSKHIDLS PNNSPVLNTD DAYASQETKG DATA SEQUENCE PDGNAIGPPT GNAWINMYPK GLHDILMTMK NKYGNPPMYI TENGMGDIDK DATA SEQUENCE GDLPKPVALE DHTRLDYIQR HLSVLKQSID LGADVRGYFA WSLLDNFEWS DATA SEQUENCE SGYTERFGIV YVDRENGCER TMKRSARWLQ EFNG 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.222 176.300 -0.130 0.000 0.893 13 R CA 0.000 56.046 56.100 -0.090 0.000 0.921 13 R CB 0.000 30.271 30.300 -0.049 0.000 0.687 14 L N 2.371 123.496 121.223 -0.163 0.000 2.483 14 L HA 0.125 4.465 4.340 -0.000 0.000 0.276 14 L C 0.349 177.039 176.870 -0.301 0.000 1.213 14 L CA 0.351 55.059 54.840 -0.220 0.000 0.843 14 L CB 1.047 42.977 42.059 -0.215 0.000 1.107 14 L HN 0.138 nan 8.230 nan 0.000 0.487 15 S N 2.931 118.338 115.700 -0.487 0.000 2.579 15 S HA 0.072 4.542 4.470 -0.000 0.000 0.275 15 S C -1.474 172.727 174.600 -0.666 0.000 1.345 15 S CA -0.949 56.799 58.200 -0.753 0.000 1.031 15 S CB 1.007 63.268 63.200 -1.565 0.000 0.892 15 S HN 0.479 nan 8.310 nan 0.000 0.529 16 P HA -0.097 nan 4.420 nan 0.000 0.217 16 P C 0.883 178.202 177.300 0.033 0.000 1.148 16 P CA 1.103 64.160 63.100 -0.071 0.000 0.828 16 P CB -0.021 31.748 31.700 0.115 0.000 0.783 17 W N -0.486 120.857 121.300 0.071 0.000 3.047 17 W HA 0.230 4.890 4.660 -0.000 0.000 0.250 17 W C 1.032 177.649 176.519 0.163 0.000 1.314 17 W CA 0.089 57.497 57.345 0.105 0.000 1.540 17 W CB -1.074 28.435 29.460 0.081 0.000 1.127 17 W HN -0.045 nan 8.180 nan 0.000 0.679 18 E N 0.987 121.058 120.200 -0.215 0.000 2.474 18 E HA 0.045 4.395 4.350 -0.000 0.000 0.195 18 E C 0.586 177.230 176.600 0.074 0.000 1.039 18 E CA -0.217 56.165 56.400 -0.029 0.000 0.881 18 E CB 0.246 29.794 29.700 -0.253 0.000 0.970 18 E HN 0.135 nan 8.360 nan 0.000 0.486 19 I N 3.087 123.648 120.570 -0.014 0.000 2.496 19 I HA 0.114 4.283 4.170 -0.000 0.000 0.285 19 I C -2.149 173.805 176.117 -0.272 0.000 1.080 19 I CA -2.438 58.806 61.300 -0.093 0.000 1.404 19 I CB -0.209 37.775 38.000 -0.027 0.000 1.403 19 I HN -0.271 nan 8.210 nan 0.000 0.539 20 P HA 0.193 nan 4.420 nan 0.000 0.267 20 P C -0.604 176.335 177.300 -0.601 0.000 1.200 20 P CA -0.019 62.335 63.100 -1.245 0.000 0.772 20 P CB 0.575 32.066 31.700 -0.347 0.000 0.855 21 R N 1.453 121.254 120.500 -1.166 0.000 2.832 21 R HA 0.426 4.766 4.340 -0.000 0.000 0.271 21 R C 1.178 177.188 176.300 -0.484 0.000 0.996 21 R CA -0.840 54.948 56.100 -0.521 0.000 0.977 21 R CB 0.947 31.047 30.300 -0.332 0.000 1.168 21 R HN 0.187 nan 8.270 nan 0.000 0.482 22 R N 1.522 121.449 120.500 -0.955 0.000 2.127 22 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 22 R C 0.759 176.982 176.300 -0.127 0.000 1.134 22 R CA 2.337 57.863 56.100 -0.956 0.000 0.975 22 R CB -0.450 29.195 30.300 -1.093 0.000 0.865 22 R HN 0.781 nan 8.270 nan 0.000 0.447 23 D N -1.736 118.624 120.400 -0.067 0.000 2.378 23 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 23 D C 0.909 177.344 176.300 0.224 0.000 1.012 23 D CA 0.258 54.313 54.000 0.092 0.000 0.905 23 D CB -0.525 40.310 40.800 0.059 0.000 0.895 23 D HN 0.226 nan 8.370 nan 0.000 0.532 24 W N 0.307 121.557 121.300 -0.083 0.000 2.392 24 W HA 0.145 4.805 4.660 0.000 0.000 0.279 24 W C 0.092 176.297 176.519 -0.523 0.000 1.225 24 W CA -0.120 57.035 57.345 -0.316 0.000 1.233 24 W CB -0.741 28.437 29.460 -0.470 0.000 1.122 24 W HN -0.093 nan 8.180 nan 0.000 0.561 25 F N 0.230 120.276 119.950 0.160 0.000 2.507 25 F HA 0.415 4.942 4.527 -0.000 0.000 0.327 25 F C -1.639 174.198 175.800 0.062 0.000 1.068 25 F CA -3.154 54.833 58.000 -0.022 0.000 0.965 25 F CB -0.101 38.758 39.000 -0.235 0.000 1.192 25 F HN -0.500 nan 8.300 nan 0.000 0.476 26 P HA 0.039 nan 4.420 nan 0.000 0.267 26 P C -2.048 175.414 177.300 0.271 0.000 1.200 26 P CA -0.758 62.481 63.100 0.232 0.000 0.772 26 P CB 0.148 31.999 31.700 0.251 0.000 0.855 27 P HA -0.193 nan 4.420 nan 0.000 0.217 27 P C 1.202 178.618 177.300 0.193 0.000 1.148 27 P CA 1.707 64.907 63.100 0.168 0.000 0.828 27 P CB -0.291 31.477 31.700 0.112 0.000 0.783 28 S N -2.598 113.221 115.700 0.199 0.000 2.562 28 S HA 0.005 4.475 4.470 -0.000 0.000 0.221 28 S C 0.517 175.238 174.600 0.202 0.000 0.975 28 S CA -0.472 57.834 58.200 0.177 0.000 0.918 28 S CB -1.273 62.014 63.200 0.145 0.000 0.772 28 S HN -0.033 nan 8.310 nan 0.000 0.531 29 F N 2.436 122.447 119.950 0.101 0.000 2.518 29 F HA 0.414 4.940 4.527 -0.000 0.000 0.359 29 F C 0.001 175.763 175.800 -0.062 0.000 1.118 29 F CA -0.579 57.432 58.000 0.020 0.000 1.287 29 F CB 0.449 39.491 39.000 0.071 0.000 1.132 29 F HN 0.056 nan 8.300 nan 0.000 0.587 30 L N 6.373 127.288 121.223 -0.513 0.000 2.295 30 L HA 0.360 4.700 4.340 -0.000 0.000 0.285 30 L C -1.023 175.457 176.870 -0.651 0.000 1.035 30 L CA -0.630 53.976 54.840 -0.390 0.000 0.806 30 L CB 1.003 42.833 42.059 -0.382 0.000 1.214 30 L HN 0.474 nan 8.230 nan 0.000 0.426 31 F N 1.049 120.926 119.950 -0.123 0.000 2.458 31 F HA 0.752 5.279 4.527 -0.000 0.000 0.336 31 F C 0.723 176.374 175.800 -0.248 0.000 1.114 31 F CA -0.343 57.594 58.000 -0.105 0.000 0.987 31 F CB 2.106 41.160 39.000 0.090 0.000 1.130 31 F HN 0.463 nan 8.300 nan 0.000 0.458 32 G N 0.546 109.193 108.800 -0.255 0.000 2.827 32 G HA2 0.817 4.777 3.960 -0.000 0.000 0.296 32 G HA3 0.817 4.777 3.960 -0.000 0.000 0.296 32 G C -2.035 172.920 174.900 0.092 0.000 1.362 32 G CA -0.608 44.386 45.100 -0.177 0.000 0.809 32 G HN 0.848 nan 8.290 nan 0.000 0.522 33 A N -1.628 121.386 122.820 0.324 0.000 2.485 33 A HA 1.027 5.347 4.320 -0.000 0.000 0.292 33 A C -0.448 177.418 177.584 0.471 0.000 1.147 33 A CA -0.023 52.213 52.037 0.331 0.000 0.750 33 A CB 1.538 20.654 19.000 0.193 0.000 1.331 33 A HN 2.280 nan 8.150 nan 0.000 0.419 34 A N -0.180 122.793 122.820 0.255 0.000 2.435 34 A HA 0.952 5.272 4.320 -0.000 0.000 0.304 34 A C -0.155 177.338 177.584 -0.152 0.000 1.064 34 A CA 0.121 52.244 52.037 0.143 0.000 0.727 34 A CB 1.376 20.542 19.000 0.277 0.000 1.284 34 A HN 2.097 nan 8.150 nan 0.000 0.415 35 T N -1.585 112.905 114.554 -0.105 0.000 2.778 35 T HA 0.858 5.208 4.350 -0.000 0.000 0.293 35 T C -0.201 174.509 174.700 0.017 0.000 1.144 35 T CA -0.034 61.912 62.100 -0.258 0.000 1.010 35 T CB 1.235 70.058 68.868 -0.075 0.000 1.325 35 T HN 1.956 nan 8.240 nan 0.000 0.515 36 S N -0.719 114.954 115.700 -0.046 0.000 2.595 36 S HA 0.757 5.227 4.470 -0.000 0.000 0.281 36 S C 1.357 175.909 174.600 -0.081 0.000 1.117 36 S CA -0.360 57.713 58.200 -0.213 0.000 0.873 36 S CB 1.361 64.021 63.200 -0.900 0.000 1.108 36 S HN 1.370 nan 8.310 nan 0.000 0.477 37 A N 1.236 124.074 122.820 0.030 0.000 1.865 37 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 37 A C 1.865 179.499 177.584 0.085 0.000 1.191 37 A CA 1.874 54.003 52.037 0.154 0.000 0.623 37 A CB -1.635 17.534 19.000 0.281 0.000 0.826 37 A HN 1.102 nan 8.150 nan 0.000 0.444 38 Y N 0.728 121.028 120.300 0.000 0.000 2.274 38 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 38 Y C 2.483 178.256 175.900 -0.212 0.000 1.145 38 Y CA 2.199 60.271 58.100 -0.046 0.000 1.203 38 Y CB -0.233 38.259 38.460 0.053 0.000 0.984 38 Y HN 0.476 nan 8.280 nan 0.000 0.533 39 Q N -0.572 119.027 119.800 -0.335 0.000 2.311 39 Q HA -0.021 4.319 4.340 -0.000 0.000 0.203 39 Q C 1.857 177.719 176.000 -0.230 0.000 0.954 39 Q CA 1.654 57.219 55.803 -0.396 0.000 0.885 39 Q CB 0.093 28.545 28.738 -0.475 0.000 0.963 39 Q HN 0.777 nan 8.270 nan 0.000 0.471 40 I N -4.507 115.968 120.570 -0.159 0.000 4.471 40 I HA 0.173 4.343 4.170 -0.000 0.000 0.326 40 I C 1.499 177.591 176.117 -0.042 0.000 1.300 40 I CA -0.010 61.244 61.300 -0.076 0.000 1.237 40 I CB 0.264 38.243 38.000 -0.034 0.000 1.195 40 I HN -0.131 nan 8.210 nan 0.000 0.427 41 E N 2.394 122.566 120.200 -0.047 0.000 2.072 41 E HA 0.142 4.492 4.350 -0.000 0.000 0.190 41 E C 1.598 178.170 176.600 -0.047 0.000 0.982 41 E CA 1.032 57.427 56.400 -0.008 0.000 0.803 41 E CB -0.204 29.500 29.700 0.007 0.000 0.755 41 E HN 0.655 nan 8.360 nan 0.000 0.453 42 G N 0.812 109.551 108.800 -0.101 0.000 2.552 42 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.265 42 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.265 42 G C 0.485 175.340 174.900 -0.076 0.000 1.234 42 G CA 0.412 45.479 45.100 -0.055 0.000 0.944 42 G HN 1.012 nan 8.290 nan 0.000 0.568 43 A N -1.361 121.431 122.820 -0.047 0.000 2.596 43 A HA -0.179 4.141 4.320 -0.000 0.000 0.300 43 A C 1.377 178.818 177.584 -0.238 0.000 1.495 43 A CA 2.049 53.945 52.037 -0.234 0.000 0.769 43 A CB -2.129 16.435 19.000 -0.727 0.000 1.047 43 A HN 2.375 nan 8.150 nan 0.000 0.436 44 W N 0.577 121.799 121.300 -0.131 0.000 2.465 44 W HA -0.097 4.563 4.660 -0.000 0.000 0.268 44 W C 0.638 177.147 176.519 -0.016 0.000 1.242 44 W CA 1.313 58.634 57.345 -0.040 0.000 1.248 44 W CB -0.620 28.881 29.460 0.067 0.000 1.118 44 W HN 1.007 nan 8.180 nan 0.000 0.587 45 N N -0.161 117.937 118.700 -1.003 0.000 2.377 45 N HA 0.103 4.842 4.740 -0.000 0.000 0.259 45 N C -0.748 174.435 175.510 -0.545 0.000 1.332 45 N CA -0.242 52.230 53.050 -0.963 0.000 0.877 45 N CB -0.588 36.911 38.487 -1.646 0.000 1.299 45 N HN 0.146 nan 8.380 nan 0.000 0.501 46 E N 0.569 120.505 120.200 -0.439 0.000 2.277 46 E HA 0.182 4.532 4.350 -0.000 0.000 0.274 46 E C -0.557 175.896 176.600 -0.245 0.000 1.022 46 E CA -0.472 55.745 56.400 -0.306 0.000 0.853 46 E CB 0.590 30.103 29.700 -0.312 0.000 1.086 46 E HN 0.065 nan 8.360 nan 0.000 0.397 47 D N 1.761 122.092 120.400 -0.115 0.000 2.751 47 D HA -0.210 4.429 4.640 -0.000 0.000 0.233 47 D C 0.647 176.921 176.300 -0.043 0.000 1.149 47 D CA 1.490 55.469 54.000 -0.036 0.000 0.682 47 D CB -1.343 39.487 40.800 0.050 0.000 1.068 47 D HN 0.889 nan 8.370 nan 0.000 0.429 48 G N -0.244 108.511 108.800 -0.076 0.000 2.176 48 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.253 48 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.253 48 G C 0.363 175.232 174.900 -0.051 0.000 0.979 48 G CA 0.563 45.633 45.100 -0.050 0.000 0.641 48 G HN 0.643 nan 8.290 nan 0.000 0.530 49 K N 1.093 121.437 120.400 -0.093 0.000 2.484 49 K HA 0.431 4.751 4.320 -0.000 0.000 0.280 49 K C 1.176 177.747 176.600 -0.047 0.000 1.013 49 K CA 0.391 56.641 56.287 -0.062 0.000 1.029 49 K CB -0.024 32.407 32.500 -0.116 0.000 0.902 49 K HN 0.368 nan 8.250 nan 0.000 0.481 50 G N 4.298 113.106 108.800 0.013 0.000 2.537 50 G HA2 0.305 4.265 3.960 -0.000 0.000 0.273 50 G HA3 0.305 4.265 3.960 -0.000 0.000 0.273 50 G C -2.482 172.482 174.900 0.105 0.000 1.189 50 G CA -1.319 43.800 45.100 0.032 0.000 0.881 50 G HN 0.560 nan 8.290 nan 0.000 0.535 51 P HA 0.188 nan 4.420 nan 0.000 0.275 51 P C -0.003 177.408 177.300 0.185 0.000 1.228 51 P CA -0.209 63.059 63.100 0.280 0.000 0.786 51 P CB 1.538 33.435 31.700 0.329 0.000 0.927 52 S N 0.307 116.143 115.700 0.226 0.000 2.745 52 S HA 0.296 4.766 4.470 -0.000 0.000 0.292 52 S C 1.535 176.218 174.600 0.138 0.000 1.133 52 S CA 0.079 58.379 58.200 0.167 0.000 0.998 52 S CB -0.035 63.307 63.200 0.238 0.000 1.087 52 S HN 0.543 nan 8.310 nan 0.000 0.551 53 T N -2.050 112.560 114.554 0.094 0.000 2.803 53 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 53 T C 1.188 175.842 174.700 -0.076 0.000 1.052 53 T CA 1.293 63.391 62.100 -0.003 0.000 1.136 53 T CB -0.791 68.038 68.868 -0.065 0.000 0.864 53 T HN 0.716 nan 8.240 nan 0.000 0.467 54 W N 1.942 123.199 121.300 -0.072 0.000 2.418 54 W HA 0.065 4.725 4.660 -0.000 0.000 0.292 54 W C 2.256 178.599 176.519 -0.293 0.000 1.213 54 W CA 0.628 57.809 57.345 -0.272 0.000 1.283 54 W CB -0.146 28.822 29.460 -0.820 0.000 1.119 54 W HN 0.202 nan 8.180 nan 0.000 0.542 55 D N -1.258 119.131 120.400 -0.018 0.000 2.104 55 D HA -0.261 4.379 4.640 -0.000 0.000 0.194 55 D C 1.666 177.784 176.300 -0.303 0.000 0.994 55 D CA 1.982 55.863 54.000 -0.198 0.000 0.830 55 D CB -0.779 40.096 40.800 0.126 0.000 0.959 55 D HN 0.290 nan 8.370 nan 0.000 0.452 56 H N -0.593 118.441 119.070 -0.061 0.000 2.353 56 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 56 H C 1.944 177.307 175.328 0.059 0.000 1.090 56 H CA 1.541 57.601 56.048 0.021 0.000 1.327 56 H CB -0.319 29.478 29.762 0.058 0.000 1.383 56 H HN 0.047 nan 8.280 nan 0.000 0.508 57 F N 0.264 120.222 119.950 0.013 0.000 2.075 57 F HA -0.200 4.326 4.527 -0.000 0.000 0.297 57 F C 2.379 178.235 175.800 0.093 0.000 1.113 57 F CA 1.537 59.570 58.000 0.055 0.000 1.218 57 F CB -0.930 37.891 39.000 -0.299 0.000 0.984 57 F HN 0.291 nan 8.300 nan 0.000 0.472 58 C N -0.228 119.111 119.300 0.065 0.000 2.425 58 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 58 C C 2.614 177.577 174.990 -0.045 0.000 1.280 58 C CA 1.455 60.490 59.018 0.027 0.000 1.744 58 C CB -1.857 25.935 27.740 0.086 0.000 1.989 58 C HN 0.544 nan 8.230 nan 0.000 0.491 59 H N -0.365 118.618 119.070 -0.146 0.000 2.470 59 H HA -0.001 4.555 4.556 -0.000 0.000 0.289 59 H C 1.887 177.038 175.328 -0.294 0.000 1.033 59 H CA 0.715 56.625 56.048 -0.230 0.000 1.331 59 H CB 0.078 29.671 29.762 -0.281 0.000 1.414 59 H HN 0.539 nan 8.280 nan 0.000 0.545 60 N N -0.096 118.421 118.700 -0.304 0.000 2.368 60 N HA 0.011 4.750 4.740 -0.000 0.000 0.178 60 N C -0.484 174.542 175.510 -0.808 0.000 1.076 60 N CA 0.459 53.137 53.050 -0.620 0.000 0.889 60 N CB 0.773 38.717 38.487 -0.905 0.000 1.040 60 N HN 0.183 nan 8.380 nan 0.000 0.463 61 F N 0.975 120.792 119.950 -0.222 0.000 2.623 61 F HA 0.352 4.879 4.527 -0.000 0.000 0.361 61 F C -1.682 174.034 175.800 -0.141 0.000 1.469 61 F CA -1.506 56.388 58.000 -0.177 0.000 1.126 61 F CB 1.423 40.191 39.000 -0.387 0.000 1.221 61 F HN -0.128 nan 8.300 nan 0.000 0.536 62 P HA -0.238 nan 4.420 nan 0.000 0.218 62 P C 1.364 178.698 177.300 0.057 0.000 1.148 62 P CA 1.550 64.681 63.100 0.052 0.000 0.822 62 P CB 0.206 31.923 31.700 0.029 0.000 0.784 63 E N -0.456 119.755 120.200 0.018 0.000 2.409 63 E HA -0.179 4.171 4.350 -0.000 0.000 0.198 63 E C 0.977 177.441 176.600 -0.227 0.000 1.024 63 E CA 0.840 57.168 56.400 -0.119 0.000 0.861 63 E CB -1.031 28.553 29.700 -0.193 0.000 0.788 63 E HN 0.389 nan 8.360 nan 0.000 0.521 64 W N 0.942 122.241 121.300 -0.002 0.000 3.316 64 W HA 0.315 4.975 4.660 -0.000 0.000 0.327 64 W C 0.175 176.754 176.519 0.100 0.000 1.232 64 W CA -0.555 56.797 57.345 0.011 0.000 1.805 64 W CB 0.547 29.960 29.460 -0.078 0.000 1.090 64 W HN -0.143 nan 8.180 nan 0.000 0.654 65 I N 0.423 121.143 120.570 0.250 0.000 2.377 65 I HA 0.088 4.258 4.170 -0.000 0.000 0.293 65 I C 1.320 177.532 176.117 0.158 0.000 0.987 65 I CA -0.722 60.738 61.300 0.267 0.000 1.185 65 I CB 1.237 39.432 38.000 0.325 0.000 1.341 65 I HN -0.265 nan 8.210 nan 0.000 0.455 66 V N 4.445 124.441 119.914 0.136 0.000 2.278 66 V HA -0.272 3.848 4.120 -0.000 0.000 0.251 66 V C 1.545 177.687 176.094 0.081 0.000 1.062 66 V CA 2.497 64.851 62.300 0.090 0.000 1.038 66 V CB -0.650 31.225 31.823 0.086 0.000 0.646 66 V HN 0.927 nan 8.190 nan 0.000 0.447 67 D N -0.558 119.908 120.400 0.109 0.000 2.424 67 D HA 0.211 4.851 4.640 -0.000 0.000 0.220 67 D C 1.041 177.426 176.300 0.140 0.000 1.150 67 D CA 0.524 54.596 54.000 0.119 0.000 0.831 67 D CB -0.442 40.446 40.800 0.147 0.000 0.981 67 D HN 0.454 nan 8.370 nan 0.000 0.500 68 R N -0.149 120.437 120.500 0.143 0.000 3.651 68 R HA -0.157 4.183 4.340 -0.000 0.000 0.292 68 R C 0.621 177.034 176.300 0.188 0.000 1.161 68 R CA 1.138 57.321 56.100 0.138 0.000 0.787 68 R CB -3.451 nan 30.300 nan 0.000 1.249 68 R HN 0.810 nan 8.270 nan 0.000 0.476 69 S N -0.580 115.293 115.700 0.289 0.000 2.745 69 S HA 0.799 5.269 4.470 -0.000 0.000 0.292 69 S C 0.197 175.041 174.600 0.406 0.000 1.127 69 S CA -0.091 58.334 58.200 0.375 0.000 1.007 69 S CB 1.645 65.185 63.200 0.566 0.000 1.165 69 S HN 1.710 nan 8.310 nan 0.000 0.544 70 N N -2.120 116.740 118.700 0.265 0.000 2.853 70 N HA 0.529 5.269 4.740 -0.000 0.000 0.258 70 N C -0.197 174.982 175.510 -0.551 0.000 1.444 70 N CA -0.697 52.263 53.050 -0.151 0.000 0.837 70 N CB 0.509 38.969 38.487 -0.046 0.000 1.489 70 N HN 0.741 nan 8.380 nan 0.000 0.529 71 G N -1.127 107.121 108.800 -0.920 0.000 3.591 71 G HA2 0.078 4.037 3.960 -0.000 0.000 0.282 71 G HA3 0.078 4.037 3.960 -0.000 0.000 0.282 71 G C -0.242 174.372 174.900 -0.477 0.000 1.238 71 G CA -0.265 44.268 45.100 -0.945 0.000 0.993 71 G HN 0.562 nan 8.290 nan 0.000 0.542 72 D N 0.188 120.451 120.400 -0.229 0.000 2.149 72 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 72 D C 2.381 178.738 176.300 0.095 0.000 0.990 72 D CA 1.006 54.983 54.000 -0.038 0.000 0.839 72 D CB 0.365 41.150 40.800 -0.024 0.000 0.948 72 D HN 0.295 nan 8.370 nan 0.000 0.460 73 V N -0.701 119.220 119.914 0.012 0.000 3.013 73 V HA 0.368 4.488 4.120 -0.000 0.000 0.238 73 V C 1.319 177.402 176.094 -0.019 0.000 1.161 73 V CA 0.595 62.909 62.300 0.023 0.000 1.170 73 V CB -0.050 31.782 31.823 0.016 0.000 0.917 73 V HN 0.313 nan 8.190 nan 0.000 0.478 74 A N 1.188 124.003 122.820 -0.007 0.000 5.382 74 A HA -0.307 4.013 4.320 -0.000 0.000 0.307 74 A C 1.576 179.169 177.584 0.016 0.000 1.937 74 A CA 1.878 53.952 52.037 0.061 0.000 0.715 74 A CB -1.997 16.947 19.000 -0.093 0.000 1.293 74 A HN 1.551 nan 8.150 nan 0.000 0.374 75 A N -0.903 121.918 122.820 0.002 0.000 2.379 75 A HA 0.439 4.759 4.320 -0.000 0.000 0.236 75 A C 0.722 178.308 177.584 0.005 0.000 1.272 75 A CA 1.809 53.837 52.037 -0.016 0.000 0.886 75 A CB -0.440 18.545 19.000 -0.024 0.000 0.962 75 A HN 2.020 nan 8.150 nan 0.000 0.504 76 D N -1.262 119.154 120.400 0.026 0.000 2.811 76 D HA -0.152 4.488 4.640 -0.000 0.000 0.231 76 D C 0.979 177.342 176.300 0.106 0.000 1.157 76 D CA 1.107 55.162 54.000 0.091 0.000 0.716 76 D CB -1.539 39.328 40.800 0.112 0.000 1.077 76 D HN 0.301 nan 8.370 nan 0.000 0.428 77 S N -1.364 114.385 115.700 0.081 0.000 2.474 77 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 77 S C 1.370 176.085 174.600 0.193 0.000 0.997 77 S CA 0.600 58.880 58.200 0.132 0.000 0.949 77 S CB -0.196 63.084 63.200 0.134 0.000 0.766 77 S HN 0.581 nan 8.310 nan 0.000 0.517 78 Y N 1.958 122.165 120.300 -0.154 0.000 2.207 78 Y HA -0.210 4.340 4.550 -0.000 0.000 0.287 78 Y C 2.247 177.983 175.900 -0.274 0.000 1.156 78 Y CA 1.787 59.558 58.100 -0.548 0.000 1.182 78 Y CB -0.147 37.833 38.460 -0.800 0.000 0.979 78 Y HN 0.425 nan 8.280 nan 0.000 0.521 79 H N -1.989 117.155 119.070 0.124 0.000 2.553 79 H HA 0.202 4.758 4.556 -0.000 0.000 0.276 79 H C 1.289 176.644 175.328 0.044 0.000 0.979 79 H CA 1.010 57.107 56.048 0.081 0.000 1.268 79 H CB 0.052 29.851 29.762 0.061 0.000 1.450 79 H HN 0.381 nan 8.280 nan 0.000 0.527 80 M N 1.443 121.127 119.600 0.141 0.000 2.560 80 M HA 0.071 4.551 4.480 -0.000 0.000 0.297 80 M C 1.098 177.345 176.300 -0.088 0.000 1.201 80 M CA -0.310 54.982 55.300 -0.013 0.000 0.973 80 M CB 0.081 32.687 32.600 0.010 0.000 1.401 80 M HN 0.184 nan 8.290 nan 0.000 0.497 81 Y N -0.520 119.777 120.300 -0.004 0.000 2.333 81 Y HA -0.002 4.548 4.550 -0.000 0.000 0.290 81 Y C 2.102 177.940 175.900 -0.103 0.000 1.144 81 Y CA 1.253 59.320 58.100 -0.055 0.000 1.228 81 Y CB -0.979 37.432 38.460 -0.082 0.000 0.985 81 Y HN 0.206 nan 8.280 nan 0.000 0.542 82 A N 1.102 123.365 122.820 -0.927 0.000 1.930 82 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 82 A C 2.173 179.590 177.584 -0.278 0.000 1.175 82 A CA 1.577 53.278 52.037 -0.561 0.000 0.627 82 A CB -0.537 18.121 19.000 -0.570 0.000 0.815 82 A HN 0.529 nan 8.150 nan 0.000 0.443 83 E N 0.433 120.490 120.200 -0.238 0.000 2.077 83 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 83 E C 1.474 177.990 176.600 -0.141 0.000 0.989 83 E CA 1.456 57.765 56.400 -0.151 0.000 0.800 83 E CB -0.368 29.263 29.700 -0.115 0.000 0.746 83 E HN 0.574 nan 8.360 nan 0.000 0.452 84 D N 0.416 120.729 120.400 -0.146 0.000 2.104 84 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 84 D C 2.153 178.304 176.300 -0.249 0.000 0.994 84 D CA 0.800 54.689 54.000 -0.184 0.000 0.830 84 D CB -0.356 40.343 40.800 -0.169 0.000 0.959 84 D HN 0.019 nan 8.370 nan 0.000 0.452 85 V N 0.891 120.678 119.914 -0.212 0.000 2.343 85 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 85 V C 2.536 178.546 176.094 -0.141 0.000 1.051 85 V CA 1.610 63.799 62.300 -0.186 0.000 1.036 85 V CB -0.487 31.269 31.823 -0.111 0.000 0.654 85 V HN 0.160 nan 8.190 nan 0.000 0.451 86 R N 0.020 120.445 120.500 -0.126 0.000 2.091 86 R HA -0.157 4.182 4.340 -0.000 0.000 0.238 86 R C 2.284 178.531 176.300 -0.089 0.000 1.136 86 R CA 1.714 57.756 56.100 -0.096 0.000 0.959 86 R CB -0.326 29.919 30.300 -0.092 0.000 0.856 86 R HN 0.453 nan 8.270 nan 0.000 0.437 87 L N 0.676 121.836 121.223 -0.104 0.000 2.046 87 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 87 L C 2.509 179.327 176.870 -0.088 0.000 1.077 87 L CA 1.184 55.971 54.840 -0.088 0.000 0.747 87 L CB -0.387 41.617 42.059 -0.091 0.000 0.896 87 L HN 0.241 nan 8.230 nan 0.000 0.432 88 L N -0.291 120.854 121.223 -0.130 0.000 2.046 88 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 88 L C 2.692 179.526 176.870 -0.059 0.000 1.077 88 L CA 1.197 55.969 54.840 -0.112 0.000 0.747 88 L CB -0.430 41.515 42.059 -0.191 0.000 0.896 88 L HN 0.184 nan 8.230 nan 0.000 0.432 89 K N 0.609 120.972 120.400 -0.062 0.000 2.026 89 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 89 K C 1.901 178.481 176.600 -0.034 0.000 1.048 89 K CA 1.551 57.816 56.287 -0.038 0.000 0.929 89 K CB -0.139 32.338 32.500 -0.039 0.000 0.713 89 K HN 0.271 nan 8.250 nan 0.000 0.439 90 E N -0.373 119.803 120.200 -0.041 0.000 2.153 90 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 90 E C 1.791 178.371 176.600 -0.033 0.000 0.988 90 E CA 1.262 57.640 56.400 -0.036 0.000 0.811 90 E CB -0.098 29.580 29.700 -0.037 0.000 0.746 90 E HN 0.371 nan 8.360 nan 0.000 0.466 91 M N -0.675 118.907 119.600 -0.031 0.000 2.619 91 M HA 0.041 4.521 4.480 -0.000 0.000 0.251 91 M C 1.048 177.334 176.300 -0.024 0.000 1.106 91 M CA 0.647 55.932 55.300 -0.026 0.000 1.086 91 M CB 0.459 33.052 32.600 -0.012 0.000 1.465 91 M HN 0.263 nan 8.290 nan 0.000 0.506 92 G N 1.137 109.925 108.800 -0.020 0.000 2.160 92 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.251 92 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.251 92 G C 0.126 175.040 174.900 0.024 0.000 1.008 92 G CA -0.156 44.938 45.100 -0.010 0.000 0.724 92 G HN 0.307 nan 8.290 nan 0.000 0.514 93 M N 0.434 120.053 119.600 0.033 0.000 2.248 93 M HA 0.198 4.678 4.480 -0.000 0.000 0.337 93 M C 1.076 177.417 176.300 0.069 0.000 1.121 93 M CA 0.189 55.531 55.300 0.069 0.000 1.155 93 M CB 0.311 32.946 32.600 0.060 0.000 1.514 93 M HN 0.099 nan 8.290 nan 0.000 0.452 94 D N 0.841 121.289 120.400 0.080 0.000 2.327 94 D HA 0.285 4.924 4.640 -0.000 0.000 0.205 94 D C 0.226 176.571 176.300 0.075 0.000 0.989 94 D CA 0.551 54.593 54.000 0.071 0.000 0.873 94 D CB 0.648 41.487 40.800 0.066 0.000 0.955 94 D HN 0.620 nan 8.370 nan 0.000 0.515 95 A N -0.033 122.828 122.820 0.068 0.000 2.610 95 A HA 0.520 4.840 4.320 -0.000 0.000 0.291 95 A C -2.111 175.692 177.584 0.365 0.000 1.086 95 A CA -0.626 51.516 52.037 0.175 0.000 0.677 95 A CB 1.913 20.927 19.000 0.025 0.000 1.278 95 A HN 0.015 nan 8.150 nan 0.000 0.414 96 Y N 0.694 121.197 120.300 0.338 0.000 2.396 96 Y HA 0.639 5.189 4.550 -0.000 0.000 0.332 96 Y C -0.457 175.640 175.900 0.327 0.000 1.034 96 Y CA -0.882 57.427 58.100 0.348 0.000 1.057 96 Y CB 1.544 40.156 38.460 0.253 0.000 1.220 96 Y HN 0.832 nan 8.280 nan 0.000 0.440 97 R N 7.153 127.615 120.500 -0.064 0.000 2.255 97 R HA 0.629 4.969 4.340 -0.000 0.000 0.326 97 R C -1.697 174.274 176.300 -0.548 0.000 0.986 97 R CA -0.336 55.495 56.100 -0.448 0.000 0.847 97 R CB 0.436 30.310 30.300 -0.710 0.000 1.111 97 R HN 0.585 nan 8.270 nan 0.000 0.452 98 F N 0.666 120.245 119.950 -0.619 0.000 2.664 98 F HA 0.643 5.170 4.527 -0.000 0.000 0.317 98 F C -1.032 174.611 175.800 -0.263 0.000 1.108 98 F CA -1.118 56.584 58.000 -0.496 0.000 0.957 98 F CB 1.397 40.029 39.000 -0.612 0.000 1.365 98 F HN 0.417 nan 8.300 nan 0.000 0.475 99 S N 0.972 116.677 115.700 0.007 0.000 2.607 99 S HA 0.787 5.257 4.470 -0.000 0.000 0.303 99 S C -1.022 173.627 174.600 0.082 0.000 1.086 99 S CA -0.758 57.415 58.200 -0.045 0.000 0.995 99 S CB 1.592 64.809 63.200 0.028 0.000 1.084 99 S HN 0.726 nan 8.310 nan 0.000 0.507 100 I N 2.131 122.676 120.570 -0.041 0.000 2.359 100 I HA 0.294 4.464 4.170 -0.000 0.000 0.294 100 I C 0.404 176.662 176.117 0.234 0.000 0.987 100 I CA -0.522 60.680 61.300 -0.164 0.000 1.225 100 I CB 1.911 39.722 38.000 -0.315 0.000 1.366 100 I HN 0.759 nan 8.210 nan 0.000 0.466 101 S N 6.460 122.378 115.700 0.363 0.000 2.430 101 S HA -0.015 4.455 4.470 -0.000 0.000 0.282 101 S C 0.864 175.659 174.600 0.325 0.000 1.186 101 S CA -0.344 58.090 58.200 0.390 0.000 1.060 101 S CB 0.160 63.603 63.200 0.405 0.000 0.966 101 S HN 0.680 nan 8.310 nan 0.000 0.501 102 W N 7.635 128.878 121.300 -0.096 0.000 2.301 102 W HA -0.068 4.592 4.660 -0.000 0.000 0.325 102 W C -1.297 175.022 176.519 -0.334 0.000 1.250 102 W CA 1.588 58.457 57.345 -0.792 0.000 1.261 102 W CB -1.745 27.284 29.460 -0.717 0.000 1.157 102 W HN 0.627 nan 8.180 nan 0.000 0.473 103 P HA -0.119 nan 4.420 nan 0.000 0.237 103 P C 1.554 178.927 177.300 0.122 0.000 1.178 103 P CA 1.405 64.537 63.100 0.053 0.000 0.766 103 P CB -0.344 31.374 31.700 0.031 0.000 0.876 104 R N -0.213 120.403 120.500 0.194 0.000 2.153 104 R HA 0.008 4.348 4.340 -0.000 0.000 0.218 104 R C 1.910 178.369 176.300 0.265 0.000 1.072 104 R CA 0.736 56.965 56.100 0.214 0.000 0.990 104 R CB -0.160 30.313 30.300 0.289 0.000 0.889 104 R HN 0.048 nan 8.270 nan 0.000 0.452 105 I N 0.514 121.267 120.570 0.305 0.000 2.494 105 I HA -0.021 4.149 4.170 -0.000 0.000 0.250 105 I C 0.722 176.972 176.117 0.223 0.000 1.112 105 I CA 0.948 62.438 61.300 0.317 0.000 1.438 105 I CB -0.194 38.067 38.000 0.435 0.000 1.111 105 I HN 0.069 nan 8.210 nan 0.000 0.431 106 L N 1.752 123.094 121.223 0.200 0.000 2.417 106 L HA 0.270 4.610 4.340 -0.000 0.000 0.259 106 L C -1.767 175.159 176.870 0.092 0.000 1.023 106 L CA -1.276 53.664 54.840 0.166 0.000 0.901 106 L CB 1.456 43.660 42.059 0.242 0.000 1.227 106 L HN -0.135 nan 8.230 nan 0.000 0.454 107 P HA -0.151 nan 4.420 nan 0.000 0.219 107 P C 0.782 178.078 177.300 -0.006 0.000 1.146 107 P CA 1.362 64.480 63.100 0.029 0.000 0.808 107 P CB 0.216 31.932 31.700 0.028 0.000 0.779 108 K N -2.082 118.317 120.400 -0.001 0.000 2.372 108 K HA 0.309 4.629 4.320 -0.000 0.000 0.200 108 K C 1.258 177.820 176.600 -0.064 0.000 1.022 108 K CA 0.550 56.821 56.287 -0.027 0.000 1.125 108 K CB -0.052 32.449 32.500 0.001 0.000 0.855 108 K HN 0.078 nan 8.250 nan 0.000 0.524 109 G N 1.698 110.453 108.800 -0.075 0.000 2.253 109 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.251 109 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.251 109 G C 0.399 175.417 174.900 0.195 0.000 0.998 109 G CA 0.830 45.846 45.100 -0.140 0.000 0.621 109 G HN 0.434 nan 8.290 nan 0.000 0.524 110 T N -1.958 112.684 114.554 0.147 0.000 2.932 110 T HA 0.730 5.080 4.350 -0.000 0.000 0.289 110 T C 1.294 176.079 174.700 0.141 0.000 1.039 110 T CA -0.263 61.940 62.100 0.171 0.000 1.024 110 T CB 2.007 70.948 68.868 0.120 0.000 1.090 110 T HN 0.151 nan 8.240 nan 0.000 0.496 111 L N 1.064 122.360 121.223 0.122 0.000 2.042 111 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 111 L C 2.936 179.845 176.870 0.065 0.000 1.076 111 L CA 2.406 57.296 54.840 0.083 0.000 0.749 111 L CB -1.354 40.739 42.059 0.057 0.000 0.893 111 L HN 1.018 nan 8.230 nan 0.000 0.432 112 A N -0.375 122.482 122.820 0.063 0.000 1.978 112 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 112 A C 2.202 179.813 177.584 0.045 0.000 1.170 112 A CA 1.566 53.632 52.037 0.049 0.000 0.636 112 A CB -0.948 18.080 19.000 0.048 0.000 0.810 112 A HN 0.500 nan 8.150 nan 0.000 0.448 113 G N -1.386 107.446 108.800 0.053 0.000 2.744 113 G HA2 0.422 4.381 3.960 -0.000 0.000 0.211 113 G HA3 0.422 4.381 3.960 -0.000 0.000 0.211 113 G C 0.889 175.817 174.900 0.046 0.000 1.143 113 G CA 0.664 45.791 45.100 0.044 0.000 0.788 113 G HN 1.708 nan 8.290 nan 0.000 0.534 114 G N -0.725 108.107 108.800 0.053 0.000 2.675 114 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.686 114 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.686 114 G C -0.470 174.471 174.900 0.068 0.000 1.215 114 G CA -0.653 44.478 45.100 0.052 0.000 0.777 114 G HN 0.418 nan 8.290 nan 0.000 0.638 115 I N 1.251 121.861 120.570 0.067 0.000 2.371 115 I HA 0.158 4.328 4.170 -0.000 0.000 0.290 115 I C 0.628 176.799 176.117 0.089 0.000 1.028 115 I CA -0.712 60.639 61.300 0.086 0.000 1.345 115 I CB 1.352 39.393 38.000 0.068 0.000 1.407 115 I HN 0.510 nan 8.210 nan 0.000 0.501 116 N N 5.180 123.949 118.700 0.115 0.000 2.415 116 N HA -0.033 4.707 4.740 -0.000 0.000 0.250 116 N C 0.782 176.373 175.510 0.135 0.000 1.127 116 N CA 0.186 53.304 53.050 0.113 0.000 0.945 116 N CB 0.701 39.259 38.487 0.117 0.000 1.196 116 N HN 0.472 nan 8.380 nan 0.000 0.499 117 E N 3.196 123.459 120.200 0.105 0.000 2.204 117 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 117 E C 1.022 177.700 176.600 0.129 0.000 0.990 117 E CA 1.450 57.915 56.400 0.108 0.000 0.821 117 E CB 0.221 29.966 29.700 0.076 0.000 0.750 117 E HN 0.550 nan 8.360 nan 0.000 0.477 118 K N -0.727 119.748 120.400 0.124 0.000 2.097 118 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 118 K C 2.429 179.149 176.600 0.200 0.000 1.050 118 K CA 1.844 58.215 56.287 0.140 0.000 0.938 118 K CB -0.182 32.392 32.500 0.124 0.000 0.718 118 K HN 0.118 nan 8.250 nan 0.000 0.442 119 R N 0.699 121.336 120.500 0.228 0.000 2.083 119 R HA -0.091 4.249 4.340 -0.000 0.000 0.237 119 R C 2.303 178.864 176.300 0.434 0.000 1.137 119 R CA 2.048 58.343 56.100 0.325 0.000 0.951 119 R CB -1.673 nan 30.300 nan 0.000 0.851 119 R HN 0.067 nan 8.270 nan 0.000 0.434 120 V N 1.153 121.305 119.914 0.397 0.000 2.343 120 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 120 V C 2.567 178.902 176.094 0.401 0.000 1.051 120 V CA 2.244 64.836 62.300 0.487 0.000 1.036 120 V CB -0.465 31.518 31.823 0.268 0.000 0.654 120 V HN 0.777 nan 8.190 nan 0.000 0.451 121 E N -0.557 119.781 120.200 0.231 0.000 2.110 121 E HA -0.290 4.060 4.350 -0.000 0.000 0.193 121 E C 2.193 178.808 176.600 0.026 0.000 0.988 121 E CA 1.667 58.146 56.400 0.130 0.000 0.804 121 E CB -0.284 29.469 29.700 0.088 0.000 0.745 121 E HN 0.701 nan 8.360 nan 0.000 0.458 122 Y N 0.306 120.515 120.300 -0.152 0.000 2.097 122 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 122 Y C 1.713 177.300 175.900 -0.521 0.000 1.152 122 Y CA 2.130 59.945 58.100 -0.474 0.000 1.136 122 Y CB -0.694 37.410 38.460 -0.592 0.000 0.975 122 Y HN 0.112 nan 8.280 nan 0.000 0.498 123 Y N 0.316 120.432 120.300 -0.307 0.000 2.293 123 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 123 Y C 2.499 178.151 175.900 -0.414 0.000 1.137 123 Y CA 1.438 59.227 58.100 -0.518 0.000 1.202 123 Y CB -0.858 37.322 38.460 -0.468 0.000 0.990 123 Y HN 0.208 nan 8.280 nan 0.000 0.537 124 N N 0.409 119.128 118.700 0.032 0.000 2.120 124 N HA -0.151 4.588 4.740 -0.000 0.000 0.188 124 N C 1.618 177.083 175.510 -0.074 0.000 1.024 124 N CA 1.264 54.372 53.050 0.097 0.000 0.852 124 N CB -0.179 38.437 38.487 0.214 0.000 1.003 124 N HN 0.400 nan 8.380 nan 0.000 0.424 125 K N 0.357 120.627 120.400 -0.217 0.000 2.097 125 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 125 K C 1.912 178.332 176.600 -0.300 0.000 1.050 125 K CA 0.602 56.742 56.287 -0.246 0.000 0.938 125 K CB -0.191 32.102 32.500 -0.343 0.000 0.718 125 K HN 0.062 nan 8.250 nan 0.000 0.442 126 L N 1.612 122.491 121.223 -0.573 0.000 2.027 126 L HA -0.101 4.238 4.340 -0.000 0.000 0.206 126 L C 1.944 178.681 176.870 -0.221 0.000 1.074 126 L CA 1.457 56.014 54.840 -0.471 0.000 0.745 126 L CB -0.335 41.233 42.059 -0.819 0.000 0.898 126 L HN 0.083 nan 8.230 nan 0.000 0.433 127 I N 0.008 120.471 120.570 -0.178 0.000 2.163 127 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 127 I C 2.108 178.227 176.117 0.003 0.000 1.085 127 I CA 1.569 62.852 61.300 -0.027 0.000 1.347 127 I CB -0.614 37.388 38.000 0.004 0.000 1.044 127 I HN 0.307 nan 8.210 nan 0.000 0.408 128 D N 0.537 120.934 120.400 -0.005 0.000 2.123 128 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 128 D C 2.017 178.330 176.300 0.021 0.000 0.992 128 D CA 1.217 55.229 54.000 0.020 0.000 0.833 128 D CB -0.314 40.499 40.800 0.021 0.000 0.954 128 D HN 0.177 nan 8.370 nan 0.000 0.455 129 L N 0.484 121.717 121.223 0.016 0.000 2.093 129 L HA -0.045 4.294 4.340 -0.000 0.000 0.208 129 L C 2.192 179.073 176.870 0.017 0.000 1.085 129 L CA 1.094 55.949 54.840 0.026 0.000 0.755 129 L CB -0.430 41.664 42.059 0.059 0.000 0.904 129 L HN 0.001 nan 8.230 nan 0.000 0.435 130 L N -1.246 119.989 121.223 0.019 0.000 1.990 130 L HA -0.295 4.045 4.340 -0.000 0.000 0.213 130 L C 2.510 179.411 176.870 0.052 0.000 1.072 130 L CA 1.660 56.527 54.840 0.045 0.000 0.755 130 L CB -0.705 41.414 42.059 0.099 0.000 0.889 130 L HN 0.274 nan 8.230 nan 0.000 0.432 131 L N -0.503 120.751 121.223 0.052 0.000 2.046 131 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 131 L C 2.636 179.530 176.870 0.039 0.000 1.077 131 L CA 1.420 56.290 54.840 0.050 0.000 0.747 131 L CB -0.569 41.520 42.059 0.050 0.000 0.896 131 L HN 0.391 nan 8.230 nan 0.000 0.432 132 E N 0.693 120.911 120.200 0.031 0.000 2.209 132 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 132 E C 1.185 177.797 176.600 0.019 0.000 0.993 132 E CA 1.428 57.842 56.400 0.023 0.000 0.819 132 E CB 0.063 29.774 29.700 0.018 0.000 0.745 132 E HN 0.516 nan 8.360 nan 0.000 0.477 133 N N -1.080 117.631 118.700 0.019 0.000 2.270 133 N HA 0.137 4.877 4.740 -0.000 0.000 0.198 133 N C 0.367 175.892 175.510 0.024 0.000 1.117 133 N CA 0.530 53.588 53.050 0.013 0.000 0.845 133 N CB 1.252 39.739 38.487 -0.001 0.000 0.980 133 N HN 0.256 nan 8.380 nan 0.000 0.486 134 G N 0.705 109.527 108.800 0.036 0.000 2.153 134 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 134 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 134 G C -0.078 174.860 174.900 0.063 0.000 0.994 134 G CA -0.058 45.070 45.100 0.046 0.000 0.698 134 G HN 0.291 nan 8.290 nan 0.000 0.521 135 I N 0.461 121.075 120.570 0.072 0.000 2.336 135 I HA 0.416 4.585 4.170 -0.000 0.000 0.292 135 I C 0.344 176.548 176.117 0.144 0.000 0.991 135 I CA -0.863 60.500 61.300 0.105 0.000 1.227 135 I CB 1.571 39.629 38.000 0.097 0.000 1.366 135 I HN 0.091 nan 8.210 nan 0.000 0.466 136 E N 9.085 129.391 120.200 0.177 0.000 2.194 136 E HA 0.304 4.654 4.350 -0.000 0.000 0.284 136 E C -2.444 174.324 176.600 0.280 0.000 1.035 136 E CA -1.956 54.565 56.400 0.201 0.000 0.836 136 E CB 0.822 30.666 29.700 0.239 0.000 1.070 136 E HN 0.161 nan 8.360 nan 0.000 0.401 137 P HA 0.105 nan 4.420 nan 0.000 0.282 137 P C -1.321 175.925 177.300 -0.090 0.000 1.262 137 P CA -0.122 63.060 63.100 0.136 0.000 0.773 137 P CB 0.284 32.037 31.700 0.088 0.000 0.879 138 Y N 3.002 123.093 120.300 -0.349 0.000 2.402 138 Y HA 0.409 4.959 4.550 -0.000 0.000 0.332 138 Y C 0.494 175.922 175.900 -0.786 0.000 0.960 138 Y CA -0.476 57.303 58.100 -0.536 0.000 1.228 138 Y CB 0.788 38.942 38.460 -0.511 0.000 1.120 138 Y HN 0.223 nan 8.280 nan 0.000 0.491 139 I N 3.419 123.478 120.570 -0.852 0.000 2.336 139 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 139 I C -0.054 175.754 176.117 -0.516 0.000 0.991 139 I CA -0.529 60.195 61.300 -0.959 0.000 1.227 139 I CB 1.507 38.787 38.000 -1.200 0.000 1.366 139 I HN 0.461 nan 8.210 nan 0.000 0.466 140 T N 6.959 121.264 114.554 -0.414 0.000 2.729 140 T HA 0.333 4.683 4.350 -0.000 0.000 0.296 140 T C 1.487 176.121 174.700 -0.111 0.000 0.928 140 T CA -0.233 61.756 62.100 -0.186 0.000 1.045 140 T CB 0.967 69.772 68.868 -0.106 0.000 0.902 140 T HN 0.382 nan 8.240 nan 0.000 0.500 141 I N 1.848 122.382 120.570 -0.060 0.000 2.252 141 I HA 0.030 4.200 4.170 -0.000 0.000 0.245 141 I C 0.538 176.767 176.117 0.187 0.000 1.102 141 I CA 1.202 62.445 61.300 -0.096 0.000 1.385 141 I CB 0.107 37.903 38.000 -0.340 0.000 1.064 141 I HN 0.471 nan 8.210 nan 0.000 0.414 142 F N -0.044 119.912 119.950 0.011 0.000 2.536 142 F HA 0.377 4.904 4.527 -0.000 0.000 0.322 142 F C -0.242 175.632 175.800 0.123 0.000 1.144 142 F CA -0.808 57.304 58.000 0.187 0.000 0.924 142 F CB 0.875 40.001 39.000 0.209 0.000 1.181 142 F HN -0.089 nan 8.300 nan 0.000 0.438 143 H N 6.550 125.254 119.070 -0.611 0.000 2.535 143 H HA 0.236 4.792 4.556 -0.000 0.000 0.232 143 H C -0.842 174.015 175.328 -0.786 0.000 1.405 143 H CA -0.204 55.432 56.048 -0.686 0.000 1.224 143 H CB 0.049 29.574 29.762 -0.396 0.000 1.763 143 H HN 0.754 nan 8.280 nan 0.000 0.529 144 W N 0.206 120.620 121.300 -1.476 0.000 1.619 144 W HA -0.221 4.439 4.660 -0.000 0.000 0.250 144 W C -0.445 175.987 176.519 -0.145 0.000 1.014 144 W CA 0.779 57.629 57.345 -0.825 0.000 0.427 144 W CB -2.239 27.041 29.460 -0.301 0.000 2.027 144 W HN 0.588 nan 8.180 nan 0.000 1.216 145 D N 0.494 120.890 120.400 -0.006 0.000 2.943 145 D HA 0.305 4.944 4.640 -0.000 0.000 0.249 145 D C 0.301 176.893 176.300 0.487 0.000 1.231 145 D CA -0.136 54.083 54.000 0.365 0.000 0.979 145 D CB -0.404 40.602 40.800 0.342 0.000 1.053 145 D HN -0.122 nan 8.370 nan 0.000 0.504 146 T N 1.963 116.890 114.554 0.622 0.000 2.902 146 T HA 0.157 4.507 4.350 -0.000 0.000 0.301 146 T C -2.292 172.412 174.700 0.007 0.000 1.012 146 T CA -0.809 61.547 62.100 0.427 0.000 1.151 146 T CB 0.664 69.842 68.868 0.516 0.000 0.946 146 T HN 0.149 nan 8.240 nan 0.000 0.542 147 P HA 0.058 nan 4.420 nan 0.000 0.263 147 P C 0.550 177.714 177.300 -0.225 0.000 1.195 147 P CA 0.023 62.922 63.100 -0.336 0.000 0.762 147 P CB 0.494 31.820 31.700 -0.623 0.000 0.799 148 Q N 5.174 124.912 119.800 -0.103 0.000 2.226 148 Q HA -0.181 4.158 4.340 -0.000 0.000 0.204 148 Q C 1.878 177.784 176.000 -0.157 0.000 0.975 148 Q CA 2.111 57.850 55.803 -0.106 0.000 0.866 148 Q CB -0.979 27.748 28.738 -0.018 0.000 0.915 148 Q HN 0.490 nan 8.270 nan 0.000 0.440 149 A N -0.001 122.729 122.820 -0.150 0.000 1.978 149 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 149 A C 1.954 179.382 177.584 -0.260 0.000 1.170 149 A CA 1.398 53.341 52.037 -0.157 0.000 0.636 149 A CB -0.599 18.332 19.000 -0.114 0.000 0.810 149 A HN 0.470 nan 8.150 nan 0.000 0.448 150 L N -0.934 120.065 121.223 -0.372 0.000 2.179 150 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 150 L C 2.381 178.832 176.870 -0.697 0.000 1.096 150 L CA 0.487 54.940 54.840 -0.646 0.000 0.779 150 L CB -0.476 41.202 42.059 -0.636 0.000 0.922 150 L HN 0.211 nan 8.230 nan 0.000 0.443 151 V N -0.070 119.613 119.914 -0.385 0.000 2.358 151 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 151 V C 2.117 178.074 176.094 -0.228 0.000 1.047 151 V CA 1.821 63.966 62.300 -0.259 0.000 1.035 151 V CB -0.462 31.251 31.823 -0.183 0.000 0.658 151 V HN 0.409 nan 8.190 nan 0.000 0.452 152 D N 0.555 120.828 120.400 -0.212 0.000 2.123 152 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 152 D C 2.217 178.440 176.300 -0.127 0.000 0.992 152 D CA 1.764 55.681 54.000 -0.140 0.000 0.833 152 D CB -0.339 40.398 40.800 -0.106 0.000 0.954 152 D HN 0.449 nan 8.370 nan 0.000 0.455 153 A N 0.081 122.781 122.820 -0.201 0.000 1.873 153 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 153 A C 1.308 178.888 177.584 -0.007 0.000 1.186 153 A CA 1.749 53.714 52.037 -0.120 0.000 0.616 153 A CB -0.452 18.463 19.000 -0.142 0.000 0.823 153 A HN 0.483 nan 8.150 nan 0.000 0.442 154 Y N -5.257 115.028 120.300 -0.025 0.000 2.957 154 Y HA 0.472 5.022 4.550 -0.000 0.000 0.274 154 Y C 0.728 176.618 175.900 -0.015 0.000 1.065 154 Y CA -0.464 57.625 58.100 -0.018 0.000 1.273 154 Y CB -0.499 37.951 38.460 -0.017 0.000 1.358 154 Y HN 0.753 nan 8.280 nan 0.000 0.585 155 G N 0.393 109.174 108.800 -0.031 0.000 2.143 155 G HA2 0.093 4.053 3.960 -0.000 0.000 0.249 155 G HA3 0.093 4.053 3.960 -0.000 0.000 0.249 155 G C 1.388 176.325 174.900 0.061 0.000 0.981 155 G CA 0.582 45.697 45.100 0.025 0.000 0.665 155 G HN 1.679 nan 8.290 nan 0.000 0.528 156 G N -0.327 108.430 108.800 -0.072 0.000 2.591 156 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.298 156 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.298 156 G C 0.848 175.858 174.900 0.183 0.000 1.195 156 G CA 0.830 45.933 45.100 0.006 0.000 0.989 156 G HN 1.018 nan 8.290 nan 0.000 0.551 157 F N 1.260 121.305 119.950 0.158 0.000 2.583 157 F HA 0.166 4.693 4.527 -0.000 0.000 0.297 157 F C 2.626 178.408 175.800 -0.029 0.000 1.131 157 F CA 1.124 59.176 58.000 0.087 0.000 1.467 157 F CB -0.142 38.905 39.000 0.078 0.000 1.097 157 F HN 0.190 nan 8.300 nan 0.000 0.586 158 L N -1.116 120.174 121.223 0.112 0.000 2.551 158 L HA -0.059 4.281 4.340 -0.000 0.000 0.228 158 L C 0.491 177.394 176.870 0.056 0.000 1.153 158 L CA 0.719 55.575 54.840 0.026 0.000 0.851 158 L CB -0.261 41.815 42.059 0.028 0.000 0.959 158 L HN 0.017 nan 8.230 nan 0.000 0.451 159 D N -0.294 120.163 120.400 0.094 0.000 2.619 159 D HA 0.044 4.684 4.640 -0.000 0.000 0.241 159 D C 0.532 176.802 176.300 -0.049 0.000 1.087 159 D CA -0.253 53.764 54.000 0.028 0.000 0.851 159 D CB 1.974 42.805 40.800 0.051 0.000 1.474 159 D HN 0.207 nan 8.370 nan 0.000 0.478 160 E N 2.369 122.532 120.200 -0.062 0.000 2.333 160 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 160 E C 1.094 177.605 176.600 -0.149 0.000 1.007 160 E CA 0.756 57.121 56.400 -0.058 0.000 0.845 160 E CB 0.040 29.734 29.700 -0.010 0.000 0.766 160 E HN 0.323 nan 8.360 nan 0.000 0.507 161 R N 0.104 120.401 120.500 -0.338 0.000 2.200 161 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 161 R C 2.153 178.215 176.300 -0.397 0.000 1.127 161 R CA 1.147 56.921 56.100 -0.543 0.000 0.989 161 R CB -0.431 29.187 30.300 -1.137 0.000 0.869 161 R HN 0.239 nan 8.270 nan 0.000 0.459 162 I N 0.843 121.277 120.570 -0.225 0.000 2.530 162 I HA -0.235 3.935 4.170 -0.000 0.000 0.257 162 I C 1.641 177.789 176.117 0.052 0.000 1.179 162 I CA 1.310 62.612 61.300 0.004 0.000 1.440 162 I CB 0.063 37.906 38.000 -0.261 0.000 1.087 162 I HN 0.118 nan 8.210 nan 0.000 0.440 163 I N -0.027 120.553 120.570 0.016 0.000 2.163 163 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 163 I C 2.446 178.645 176.117 0.135 0.000 1.081 163 I CA 1.239 62.592 61.300 0.088 0.000 1.353 163 I CB -0.505 37.532 38.000 0.061 0.000 1.054 163 I HN 0.101 nan 8.210 nan 0.000 0.407 164 K N 1.274 121.723 120.400 0.081 0.000 2.063 164 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 164 K C 1.631 178.310 176.600 0.131 0.000 1.048 164 K CA 1.849 58.185 56.287 0.083 0.000 0.928 164 K CB -0.420 32.106 32.500 0.043 0.000 0.713 164 K HN 0.244 nan 8.250 nan 0.000 0.442 165 D N -0.968 119.557 120.400 0.208 0.000 2.117 165 D HA -0.162 4.478 4.640 -0.000 0.000 0.198 165 D C 1.831 178.340 176.300 0.348 0.000 0.982 165 D CA 1.083 55.286 54.000 0.339 0.000 0.828 165 D CB -0.382 40.702 40.800 0.473 0.000 0.967 165 D HN 0.285 nan 8.370 nan 0.000 0.464 166 Y N 2.016 122.424 120.300 0.179 0.000 2.128 166 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 166 Y C 2.542 178.317 175.900 -0.208 0.000 1.154 166 Y CA 2.662 60.636 58.100 -0.210 0.000 1.149 166 Y CB -0.569 37.840 38.460 -0.084 0.000 0.976 166 Y HN 0.031 nan 8.280 nan 0.000 0.505 167 T N -2.586 111.977 114.554 0.015 0.000 2.833 167 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 167 T C 1.527 176.089 174.700 -0.231 0.000 1.054 167 T CA 1.493 63.526 62.100 -0.112 0.000 1.135 167 T CB -0.475 68.423 68.868 0.049 0.000 0.869 167 T HN 0.298 nan 8.240 nan 0.000 0.466 168 D N 0.547 120.873 120.400 -0.123 0.000 2.144 168 D HA 0.011 4.651 4.640 -0.000 0.000 0.200 168 D C 1.571 177.762 176.300 -0.181 0.000 0.978 168 D CA 0.581 54.522 54.000 -0.100 0.000 0.833 168 D CB -0.508 40.302 40.800 0.016 0.000 0.961 168 D HN 0.407 nan 8.370 nan 0.000 0.470 169 F N 1.968 121.643 119.950 -0.458 0.000 2.102 169 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 169 F C 2.118 177.457 175.800 -0.769 0.000 1.105 169 F CA 1.508 59.125 58.000 -0.639 0.000 1.239 169 F CB -0.686 37.597 39.000 -1.196 0.000 0.991 169 F HN -0.060 nan 8.300 nan 0.000 0.474 170 A N 0.448 122.499 122.820 -1.281 0.000 1.933 170 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 170 A C 2.347 179.009 177.584 -1.537 0.000 1.175 170 A CA 1.700 52.760 52.037 -1.628 0.000 0.628 170 A CB -0.745 17.408 19.000 -1.412 0.000 0.814 170 A HN 0.459 nan 8.150 nan 0.000 0.444 171 K N -0.420 119.475 120.400 -0.842 0.000 2.057 171 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 171 K C 1.926 178.252 176.600 -0.457 0.000 1.049 171 K CA 1.494 57.492 56.287 -0.482 0.000 0.931 171 K CB -0.403 31.975 32.500 -0.204 0.000 0.714 171 K HN 0.326 nan 8.250 nan 0.000 0.440 172 V N 1.181 120.849 119.914 -0.410 0.000 2.287 172 V HA -0.358 3.762 4.120 -0.000 0.000 0.248 172 V C 2.482 178.320 176.094 -0.425 0.000 1.053 172 V CA 1.734 63.851 62.300 -0.305 0.000 1.027 172 V CB -0.580 31.159 31.823 -0.141 0.000 0.646 172 V HN 0.439 nan 8.190 nan 0.000 0.447 173 C N -0.348 118.595 119.300 -0.594 0.000 2.413 173 C HA -0.156 4.303 4.460 -0.000 0.000 0.276 173 C C 2.522 177.278 174.990 -0.390 0.000 1.236 173 C CA 0.738 59.494 59.018 -0.436 0.000 1.735 173 C CB -1.345 26.023 27.740 -0.621 0.000 2.031 173 C HN 0.530 nan 8.230 nan 0.000 0.474 174 F N 1.388 120.931 119.950 -0.679 0.000 2.134 174 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 174 F C 2.366 177.900 175.800 -0.443 0.000 1.097 174 F CA 1.296 58.839 58.000 -0.761 0.000 1.264 174 F CB -1.401 36.810 39.000 -1.315 0.000 1.001 174 F HN 0.370 nan 8.300 nan 0.000 0.479 175 E N 0.060 120.140 120.200 -0.200 0.000 2.077 175 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 175 E C 2.174 178.695 176.600 -0.131 0.000 0.989 175 E CA 1.083 57.445 56.400 -0.064 0.000 0.800 175 E CB -0.040 29.619 29.700 -0.069 0.000 0.746 175 E HN 0.164 nan 8.360 nan 0.000 0.452 176 K N -0.075 120.112 120.400 -0.355 0.000 2.076 176 K HA -0.043 4.276 4.320 -0.000 0.000 0.204 176 K C 1.611 177.969 176.600 -0.404 0.000 1.051 176 K CA 1.071 57.018 56.287 -0.567 0.000 0.949 176 K CB -0.011 31.785 32.500 -1.173 0.000 0.726 176 K HN 0.166 nan 8.250 nan 0.000 0.443 177 F N -0.824 119.238 119.950 0.187 0.000 2.724 177 F HA 0.293 4.820 4.527 -0.000 0.000 0.306 177 F C 2.004 178.005 175.800 0.336 0.000 1.100 177 F CA -0.215 57.937 58.000 0.254 0.000 1.255 177 F CB -0.742 38.444 39.000 0.310 0.000 1.072 177 F HN -0.020 nan 8.300 nan 0.000 0.589 178 G N 0.483 109.572 108.800 0.481 0.000 2.448 178 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 178 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 178 G C 1.738 176.835 174.900 0.328 0.000 1.127 178 G CA 0.984 46.382 45.100 0.497 0.000 0.766 178 G HN 0.258 nan 8.290 nan 0.000 0.552 179 K N 0.171 120.712 120.400 0.234 0.000 2.211 179 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 179 K C 2.170 178.860 176.600 0.150 0.000 1.050 179 K CA 1.763 58.147 56.287 0.160 0.000 0.945 179 K CB -0.264 32.308 32.500 0.120 0.000 0.732 179 K HN 0.225 nan 8.250 nan 0.000 0.451 180 T N -0.788 113.875 114.554 0.180 0.000 3.023 180 T HA 0.199 4.549 4.350 -0.000 0.000 0.249 180 T C -0.311 174.441 174.700 0.086 0.000 1.050 180 T CA 0.092 62.270 62.100 0.131 0.000 1.088 180 T CB 0.542 69.496 68.868 0.145 0.000 0.946 180 T HN -0.133 nan 8.240 nan 0.000 0.480 181 V N 2.411 122.389 119.914 0.108 0.000 2.417 181 V HA 0.383 4.503 4.120 -0.000 0.000 0.291 181 V C 0.185 176.262 176.094 -0.029 0.000 1.024 181 V CA -0.633 61.605 62.300 -0.102 0.000 0.861 181 V CB 1.764 33.358 31.823 -0.381 0.000 0.985 181 V HN 0.207 nan 8.190 nan 0.000 0.436 182 K N 2.920 123.229 120.400 -0.153 0.000 2.438 182 K HA 0.362 4.682 4.320 -0.000 0.000 0.205 182 K C -0.185 176.301 176.600 -0.190 0.000 1.033 182 K CA -0.129 56.146 56.287 -0.020 0.000 1.089 182 K CB 0.419 32.917 32.500 -0.003 0.000 0.857 182 K HN 0.530 nan 8.250 nan 0.000 0.522 183 N N 0.408 118.754 118.700 -0.589 0.000 2.533 183 N HA 0.186 4.926 4.740 -0.000 0.000 0.289 183 N C -1.664 173.328 175.510 -0.863 0.000 1.103 183 N CA -0.340 52.252 53.050 -0.764 0.000 0.877 183 N CB 1.085 38.687 38.487 -1.475 0.000 1.419 183 N HN 0.008 nan 8.380 nan 0.000 0.517 184 W N 2.144 123.187 121.300 -0.429 0.000 2.761 184 W HA 0.620 5.280 4.660 -0.000 0.000 0.340 184 W C -0.352 176.006 176.519 -0.268 0.000 1.072 184 W CA -0.613 56.518 57.345 -0.355 0.000 1.215 184 W CB 1.585 30.811 29.460 -0.390 0.000 1.420 184 W HN 0.137 nan 8.180 nan 0.000 0.519 185 L N 2.510 123.749 121.223 0.026 0.000 2.376 185 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 185 L C 1.248 178.131 176.870 0.022 0.000 0.987 185 L CA -0.564 54.283 54.840 0.013 0.000 0.828 185 L CB 2.076 44.100 42.059 -0.058 0.000 1.249 185 L HN 0.684 nan 8.230 nan 0.000 0.409 186 T N -0.425 114.171 114.554 0.070 0.000 2.737 186 T HA 0.036 4.386 4.350 -0.000 0.000 0.265 186 T C 0.375 174.840 174.700 -0.393 0.000 1.038 186 T CA 1.149 63.206 62.100 -0.072 0.000 1.144 186 T CB -0.092 68.883 68.868 0.178 0.000 0.866 186 T HN 0.158 nan 8.240 nan 0.000 0.434 187 F N 1.136 121.147 119.950 0.102 0.000 2.578 187 F HA 0.549 5.076 4.527 -0.000 0.000 0.311 187 F C -0.296 175.455 175.800 -0.082 0.000 1.094 187 F CA -1.514 56.511 58.000 0.043 0.000 0.923 187 F CB 1.844 40.797 39.000 -0.077 0.000 1.230 187 F HN -0.001 nan 8.300 nan 0.000 0.450 188 N N 1.462 120.174 118.700 0.020 0.000 2.419 188 N HA 0.240 4.980 4.740 -0.000 0.000 0.277 188 N C -0.964 174.482 175.510 -0.107 0.000 1.006 188 N CA -0.198 52.724 53.050 -0.213 0.000 0.923 188 N CB 0.671 38.738 38.487 -0.700 0.000 1.140 188 N HN 0.646 nan 8.380 nan 0.000 0.488 189 E N 1.758 121.888 120.200 -0.117 0.000 2.197 189 E HA -0.177 4.173 4.350 -0.000 0.000 0.184 189 E C -1.708 174.800 176.600 -0.153 0.000 1.439 189 E CA 0.018 56.376 56.400 -0.070 0.000 0.688 189 E CB -0.587 29.174 29.700 0.101 0.000 1.090 189 E HN 0.668 nan 8.360 nan 0.000 0.341 190 P HA -0.229 nan 4.420 nan 0.000 0.218 190 P C 1.339 178.117 177.300 -0.869 0.000 1.148 190 P CA 1.146 63.736 63.100 -0.850 0.000 0.822 190 P CB 0.194 30.860 31.700 -1.724 0.000 0.784 191 E N -0.083 119.704 120.200 -0.690 0.000 2.072 191 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 191 E C 1.787 178.314 176.600 -0.121 0.000 0.985 191 E CA 1.563 57.859 56.400 -0.174 0.000 0.801 191 E CB -0.694 29.131 29.700 0.209 0.000 0.750 191 E HN 0.124 nan 8.360 nan 0.000 0.452 192 T N 1.067 115.532 114.554 -0.148 0.000 2.737 192 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 192 T C 1.534 175.953 174.700 -0.467 0.000 1.038 192 T CA 1.255 63.220 62.100 -0.225 0.000 1.144 192 T CB -0.555 68.215 68.868 -0.164 0.000 0.866 192 T HN 0.198 nan 8.240 nan 0.000 0.434 193 F N 1.658 121.152 119.950 -0.759 0.000 2.091 193 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 193 F C 2.414 177.916 175.800 -0.497 0.000 1.103 193 F CA 0.836 58.279 58.000 -0.929 0.000 1.228 193 F CB -0.891 37.643 39.000 -0.776 0.000 0.984 193 F HN 0.203 nan 8.300 nan 0.000 0.477 194 C N -0.735 118.297 119.300 -0.446 0.000 2.489 194 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 194 C C 3.007 177.883 174.990 -0.190 0.000 1.266 194 C CA 1.371 60.174 59.018 -0.358 0.000 1.707 194 C CB -1.299 26.255 27.740 -0.309 0.000 2.059 194 C HN 0.529 nan 8.230 nan 0.000 0.481 195 S N 0.737 116.373 115.700 -0.108 0.000 2.383 195 S HA -0.095 4.375 4.470 -0.000 0.000 0.227 195 S C 1.724 176.209 174.600 -0.191 0.000 1.026 195 S CA 1.440 59.600 58.200 -0.067 0.000 0.981 195 S CB -0.178 63.038 63.200 0.026 0.000 0.818 195 S HN 0.497 nan 8.310 nan 0.000 0.472 196 V N 0.683 120.419 119.914 -0.298 0.000 3.307 196 V HA 0.107 4.227 4.120 -0.000 0.000 0.253 196 V C 1.846 177.652 176.094 -0.479 0.000 1.149 196 V CA 0.915 63.003 62.300 -0.353 0.000 1.112 196 V CB 0.017 31.623 31.823 -0.362 0.000 0.777 196 V HN 0.356 nan 8.190 nan 0.000 0.464 197 S N -0.961 114.368 115.700 -0.617 0.000 2.458 197 S HA 0.076 4.546 4.470 -0.000 0.000 0.223 197 S C 1.338 175.348 174.600 -0.982 0.000 1.019 197 S CA 0.734 58.409 58.200 -0.874 0.000 0.937 197 S CB -0.097 62.434 63.200 -1.115 0.000 0.788 197 S HN 0.675 nan 8.310 nan 0.000 0.511 198 Y N 0.179 120.190 120.300 -0.481 0.000 2.563 198 Y HA 0.423 4.973 4.550 -0.000 0.000 0.250 198 Y C 1.878 177.613 175.900 -0.275 0.000 1.126 198 Y CA -0.237 57.642 58.100 -0.368 0.000 1.231 198 Y CB 0.401 38.649 38.460 -0.354 0.000 1.288 198 Y HN 0.272 nan 8.280 nan 0.000 0.537 199 G N -0.349 108.351 108.800 -0.166 0.000 2.710 199 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.215 199 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.215 199 G C 1.555 176.352 174.900 -0.171 0.000 1.345 199 G CA 0.805 45.819 45.100 -0.143 0.000 0.812 199 G HN 0.224 nan 8.290 nan 0.000 0.606 200 T N -1.581 112.858 114.554 -0.192 0.000 3.055 200 T HA 0.309 4.659 4.350 -0.000 0.000 0.265 200 T C 1.978 176.535 174.700 -0.239 0.000 1.111 200 T CA 1.202 63.191 62.100 -0.185 0.000 1.118 200 T CB -0.151 68.619 68.868 -0.163 0.000 0.909 200 T HN 1.577 nan 8.240 nan 0.000 0.501 201 G N 0.587 109.191 108.800 -0.325 0.000 2.179 201 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.257 201 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.257 201 G C 0.835 175.483 174.900 -0.420 0.000 1.010 201 G CA 0.332 45.171 45.100 -0.436 0.000 0.736 201 G HN 0.556 nan 8.290 nan 0.000 0.513 202 V N -0.345 119.387 119.914 -0.303 0.000 2.427 202 V HA 0.123 4.243 4.120 -0.000 0.000 0.248 202 V C 1.772 177.739 176.094 -0.212 0.000 1.051 202 V CA 1.796 64.001 62.300 -0.158 0.000 1.048 202 V CB -0.199 31.576 31.823 -0.079 0.000 0.666 202 V HN 0.456 nan 8.190 nan 0.000 0.456 203 L N -0.165 120.798 121.223 -0.433 0.000 2.344 203 L HA 0.655 4.995 4.340 -0.000 0.000 0.272 203 L C 0.504 176.625 176.870 -1.248 0.000 1.035 203 L CA -0.673 53.831 54.840 -0.560 0.000 0.807 203 L CB 1.079 42.904 42.059 -0.391 0.000 1.237 203 L HN 0.120 nan 8.230 nan 0.000 0.442 204 A N 3.070 124.671 122.820 -2.031 0.000 2.565 204 A HA 0.170 4.490 4.320 -0.000 0.000 0.237 204 A C -1.596 175.278 177.584 -1.183 0.000 1.053 204 A CA -0.605 50.207 52.037 -2.042 0.000 0.755 204 A CB -0.356 17.235 19.000 -2.349 0.000 0.980 204 A HN 0.632 nan 8.150 nan 0.000 0.506 205 P HA 0.114 nan 4.420 nan 0.000 0.249 205 P C 0.736 177.568 177.300 -0.780 0.000 1.229 205 P CA 0.969 63.610 63.100 -0.764 0.000 0.788 205 P CB 0.077 31.490 31.700 -0.479 0.000 1.072 206 G N 0.685 108.898 108.800 -0.979 0.000 2.204 206 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 206 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 206 G C -0.148 174.376 174.900 -0.626 0.000 1.062 206 G CA -0.527 44.103 45.100 -0.784 0.000 0.798 206 G HN 0.354 nan 8.290 nan 0.000 0.496 207 R N -0.662 119.480 120.500 -0.596 0.000 2.486 207 R HA 0.796 5.136 4.340 -0.000 0.000 0.286 207 R C 0.596 176.702 176.300 -0.322 0.000 0.999 207 R CA 0.121 55.977 56.100 -0.408 0.000 0.993 207 R CB 1.431 31.546 30.300 -0.310 0.000 1.084 207 R HN 0.897 nan 8.270 nan 0.000 0.487 208 c N -1.533 116.926 118.600 -0.235 0.000 3.306 208 c HA 0.481 5.051 4.570 -0.000 0.000 0.335 208 c C -0.077 173.937 174.090 -0.128 0.000 1.382 208 c CA -1.165 55.057 56.329 -0.179 0.000 1.254 208 c CB 1.285 43.674 42.510 -0.201 0.000 1.555 208 c HN 0.749 nan 8.230 nan 0.000 0.463 209 S N 2.374 118.015 115.700 -0.099 0.000 2.573 209 S HA 0.399 4.869 4.470 -0.000 0.000 0.277 209 S C -2.454 172.103 174.600 -0.071 0.000 1.346 209 S CA 0.092 58.247 58.200 -0.075 0.000 1.034 209 S CB -0.022 63.139 63.200 -0.065 0.000 0.879 209 S HN 0.752 nan 8.310 nan 0.000 0.528 210 P HA 0.150 nan 4.420 nan 0.000 0.264 210 P C 0.957 178.234 177.300 -0.038 0.000 1.183 210 P CA 1.052 64.126 63.100 -0.043 0.000 0.763 210 P CB 0.122 31.803 31.700 -0.032 0.000 0.807 211 G N 0.974 109.757 108.800 -0.029 0.000 2.234 211 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 211 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 211 G C 0.047 174.933 174.900 -0.025 0.000 0.997 211 G CA -0.111 44.976 45.100 -0.022 0.000 0.623 211 G HN 0.540 nan 8.290 nan 0.000 0.514 212 V N 1.300 121.189 119.914 -0.042 0.000 2.644 212 V HA 0.664 4.784 4.120 -0.000 0.000 0.295 212 V C 0.960 177.032 176.094 -0.037 0.000 1.053 212 V CA 0.347 62.619 62.300 -0.048 0.000 0.987 212 V CB 1.761 33.536 31.823 -0.079 0.000 1.006 212 V HN 0.478 nan 8.190 nan 0.000 0.472 213 S N 3.876 119.578 115.700 0.003 0.000 2.411 213 S HA 0.440 4.910 4.470 -0.000 0.000 0.304 213 S C -0.306 174.293 174.600 -0.002 0.000 1.098 213 S CA -0.430 57.825 58.200 0.090 0.000 1.068 213 S CB -0.782 62.521 63.200 0.172 0.000 1.032 213 S HN 1.041 nan 8.310 nan 0.000 0.511 214 c N 2.587 121.024 118.600 -0.272 0.000 3.320 214 c HA 0.861 5.431 4.570 -0.000 0.000 0.335 214 c C 1.688 174.982 174.090 -1.327 0.000 1.430 214 c CA -0.216 55.576 56.329 -0.896 0.000 1.271 214 c CB 0.798 42.962 42.510 -0.577 0.000 1.609 214 c HN 0.696 nan 8.230 nan 0.000 0.457 215 A N 0.231 121.951 122.820 -1.834 0.000 1.933 215 A HA 0.201 4.520 4.320 -0.000 0.000 0.218 215 A C 0.898 177.971 177.584 -0.851 0.000 1.175 215 A CA 2.241 53.302 52.037 -1.627 0.000 0.628 215 A CB -0.601 17.243 19.000 -1.926 0.000 0.814 215 A HN 1.474 nan 8.150 nan 0.000 0.444 216 V N 1.093 120.616 119.914 -0.653 0.000 2.313 216 V HA 0.230 4.350 4.120 -0.000 0.000 0.262 216 V C -2.517 173.419 176.094 -0.263 0.000 1.011 216 V CA -0.948 61.132 62.300 -0.367 0.000 0.858 216 V CB 1.215 32.846 31.823 -0.320 0.000 1.104 216 V HN 0.310 nan 8.190 nan 0.000 0.456 217 P HA 0.135 nan 4.420 nan 0.000 0.226 217 P C 0.719 177.964 177.300 -0.091 0.000 1.758 217 P CA 0.169 63.184 63.100 -0.142 0.000 0.896 217 P CB -0.310 31.329 31.700 -0.102 0.000 1.784 218 T N -4.554 109.946 114.554 -0.090 0.000 3.252 218 T HA 0.424 4.774 4.350 -0.000 0.000 0.286 218 T C 0.899 175.566 174.700 -0.055 0.000 1.013 218 T CA -0.300 61.766 62.100 -0.057 0.000 0.914 218 T CB 0.339 69.185 68.868 -0.037 0.000 1.131 218 T HN 0.065 nan 8.240 nan 0.000 0.529 219 G N 1.218 109.974 108.800 -0.072 0.000 2.882 219 G HA2 0.525 4.485 3.960 -0.000 0.000 0.164 219 G HA3 0.525 4.485 3.960 -0.000 0.000 0.164 219 G C -0.708 174.164 174.900 -0.046 0.000 1.429 219 G CA -0.664 44.405 45.100 -0.052 0.000 1.059 219 G HN 0.395 nan 8.290 nan 0.000 0.581 220 N N -1.098 117.579 118.700 -0.039 0.000 2.699 220 N HA 0.134 4.874 4.740 -0.000 0.000 0.271 220 N C 0.366 175.854 175.510 -0.036 0.000 1.216 220 N CA -0.352 52.675 53.050 -0.038 0.000 0.844 220 N CB 1.556 40.026 38.487 -0.028 0.000 1.462 220 N HN 0.113 nan 8.380 nan 0.000 0.555 221 S N 1.988 117.656 115.700 -0.054 0.000 2.507 221 S HA -0.025 4.445 4.470 -0.000 0.000 0.235 221 S C 1.568 176.141 174.600 -0.046 0.000 0.988 221 S CA 0.312 58.474 58.200 -0.064 0.000 0.944 221 S CB 0.231 63.379 63.200 -0.087 0.000 0.762 221 S HN 0.458 nan 8.310 nan 0.000 0.526 222 L N 1.262 122.471 121.223 -0.024 0.000 2.249 222 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 222 L C 2.282 179.212 176.870 0.100 0.000 1.090 222 L CA 1.285 56.134 54.840 0.015 0.000 0.802 222 L CB -0.577 41.468 42.059 -0.023 0.000 0.947 222 L HN 0.405 nan 8.230 nan 0.000 0.453 223 S N -2.952 112.782 115.700 0.056 0.000 2.599 223 S HA 0.068 4.538 4.470 -0.000 0.000 0.236 223 S C 1.624 176.270 174.600 0.076 0.000 1.077 223 S CA -0.194 58.051 58.200 0.075 0.000 0.906 223 S CB -0.180 63.016 63.200 -0.007 0.000 0.804 223 S HN 0.309 nan 8.310 nan 0.000 0.497 224 E N 2.432 122.639 120.200 0.012 0.000 2.077 224 E HA -0.056 4.293 4.350 -0.000 0.000 0.193 224 E C -0.824 175.708 176.600 -0.113 0.000 0.989 224 E CA 1.486 57.855 56.400 -0.051 0.000 0.800 224 E CB -1.142 28.547 29.700 -0.018 0.000 0.746 224 E HN 0.485 nan 8.360 nan 0.000 0.452 225 P HA -0.165 nan 4.420 nan 0.000 0.218 225 P C 0.707 178.016 177.300 0.013 0.000 1.148 225 P CA 1.234 64.286 63.100 -0.080 0.000 0.822 225 P CB -0.079 31.583 31.700 -0.063 0.000 0.784 226 Y N -1.280 119.083 120.300 0.104 0.000 2.263 226 Y HA -0.099 4.451 4.550 -0.000 0.000 0.292 226 Y C 2.302 178.228 175.900 0.043 0.000 1.130 226 Y CA 0.670 58.841 58.100 0.119 0.000 1.179 226 Y CB -0.847 37.552 38.460 -0.102 0.000 0.998 226 Y HN -0.120 nan 8.280 nan 0.000 0.532 227 I N -0.955 119.681 120.570 0.111 0.000 2.202 227 I HA -0.229 3.940 4.170 -0.000 0.000 0.242 227 I C 2.275 178.410 176.117 0.031 0.000 1.091 227 I CA 1.151 62.477 61.300 0.042 0.000 1.368 227 I CB -1.310 36.675 38.000 -0.025 0.000 1.058 227 I HN 0.056 nan 8.210 nan 0.000 0.410 228 V N 1.441 121.286 119.914 -0.116 0.000 2.295 228 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 228 V C 2.851 178.924 176.094 -0.035 0.000 1.049 228 V CA 1.834 64.032 62.300 -0.171 0.000 1.024 228 V CB -1.178 30.267 31.823 -0.631 0.000 0.648 228 V HN 0.457 nan 8.190 nan 0.000 0.447 229 A N -0.675 122.132 122.820 -0.023 0.000 1.908 229 A HA -0.326 3.993 4.320 -0.000 0.000 0.218 229 A C 2.108 179.801 177.584 0.182 0.000 1.181 229 A CA 2.491 54.554 52.037 0.044 0.000 0.627 229 A CB -0.861 18.063 19.000 -0.126 0.000 0.818 229 A HN 0.721 nan 8.150 nan 0.000 0.445 230 H N 0.112 119.267 119.070 0.142 0.000 2.357 230 H HA -0.049 4.507 4.556 -0.000 0.000 0.301 230 H C 2.035 177.455 175.328 0.154 0.000 1.082 230 H CA 1.876 58.027 56.048 0.171 0.000 1.342 230 H CB -0.030 29.761 29.762 0.047 0.000 1.389 230 H HN 0.412 nan 8.280 nan 0.000 0.511 231 N N 0.267 119.068 118.700 0.167 0.000 2.188 231 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 231 N C 2.165 177.715 175.510 0.067 0.000 1.018 231 N CA 1.038 54.157 53.050 0.116 0.000 0.858 231 N CB -0.403 38.174 38.487 0.150 0.000 0.989 231 N HN 0.417 nan 8.380 nan 0.000 0.426 232 L N 0.654 121.887 121.223 0.017 0.000 2.046 232 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 232 L C 2.004 178.671 176.870 -0.340 0.000 1.077 232 L CA 1.048 55.678 54.840 -0.350 0.000 0.747 232 L CB -0.188 41.492 42.059 -0.632 0.000 0.896 232 L HN 0.082 nan 8.230 nan 0.000 0.432 233 L N -0.567 120.604 121.223 -0.087 0.000 2.093 233 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 233 L C 2.831 179.745 176.870 0.073 0.000 1.085 233 L CA 1.086 55.942 54.840 0.027 0.000 0.755 233 L CB -0.404 41.741 42.059 0.143 0.000 0.904 233 L HN 0.224 nan 8.230 nan 0.000 0.435 234 R N -0.173 120.374 120.500 0.078 0.000 2.091 234 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 234 R C 2.417 178.773 176.300 0.094 0.000 1.136 234 R CA 1.414 57.564 56.100 0.082 0.000 0.959 234 R CB -0.516 29.826 30.300 0.069 0.000 0.856 234 R HN 0.359 nan 8.270 nan 0.000 0.437 235 A N 0.374 123.250 122.820 0.094 0.000 1.902 235 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 235 A C 1.940 179.667 177.584 0.238 0.000 1.181 235 A CA 1.843 53.971 52.037 0.152 0.000 0.623 235 A CB -0.771 18.270 19.000 0.068 0.000 0.818 235 A HN 0.476 nan 8.150 nan 0.000 0.443 236 H N 0.051 119.237 119.070 0.193 0.000 2.319 236 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 236 H C 2.148 177.564 175.328 0.147 0.000 1.092 236 H CA 2.339 58.541 56.048 0.256 0.000 1.302 236 H CB -0.273 29.611 29.762 0.204 0.000 1.373 236 H HN 0.387 nan 8.280 nan 0.000 0.497 237 A N 0.284 123.148 122.820 0.072 0.000 1.877 237 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 237 A C 2.349 179.919 177.584 -0.023 0.000 1.186 237 A CA 1.878 53.906 52.037 -0.016 0.000 0.620 237 A CB -0.610 18.381 19.000 -0.015 0.000 0.822 237 A HN 0.544 nan 8.150 nan 0.000 0.443 238 E N -0.499 119.724 120.200 0.038 0.000 2.077 238 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 238 E C 2.109 178.752 176.600 0.071 0.000 0.989 238 E CA 1.823 58.258 56.400 0.060 0.000 0.800 238 E CB -0.487 29.266 29.700 0.090 0.000 0.746 238 E HN 0.557 nan 8.360 nan 0.000 0.452 239 T N -0.469 114.139 114.554 0.091 0.000 2.777 239 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 239 T C 1.866 176.617 174.700 0.084 0.000 1.040 239 T CA 1.250 63.426 62.100 0.126 0.000 1.141 239 T CB -0.229 68.753 68.868 0.190 0.000 0.868 239 T HN -0.004 nan 8.240 nan 0.000 0.444 240 V N 1.676 121.548 119.914 -0.070 0.000 2.515 240 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 240 V C 2.320 178.408 176.094 -0.010 0.000 1.058 240 V CA 1.785 64.037 62.300 -0.079 0.000 1.064 240 V CB -0.576 31.123 31.823 -0.207 0.000 0.675 240 V HN 0.468 nan 8.190 nan 0.000 0.461 241 D N 0.202 120.594 120.400 -0.014 0.000 2.097 241 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 241 D C 1.981 178.276 176.300 -0.009 0.000 0.989 241 D CA 1.437 55.425 54.000 -0.020 0.000 0.827 241 D CB -0.137 40.657 40.800 -0.009 0.000 0.966 241 D HN 0.417 nan 8.370 nan 0.000 0.456 242 I N -0.389 120.232 120.570 0.085 0.000 2.163 242 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 242 I C 2.016 178.228 176.117 0.159 0.000 1.085 242 I CA 0.992 62.413 61.300 0.202 0.000 1.347 242 I CB -0.383 37.788 38.000 0.286 0.000 1.044 242 I HN 0.144 nan 8.210 nan 0.000 0.408 243 Y N 1.918 122.157 120.300 -0.101 0.000 2.128 243 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 243 Y C 2.259 178.008 175.900 -0.251 0.000 1.154 243 Y CA 2.032 59.897 58.100 -0.392 0.000 1.149 243 Y CB -0.603 37.447 38.460 -0.684 0.000 0.976 243 Y HN 0.207 nan 8.280 nan 0.000 0.505 244 N N -0.439 118.159 118.700 -0.170 0.000 2.166 244 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 244 N C 1.681 176.989 175.510 -0.336 0.000 1.019 244 N CA 1.304 54.216 53.050 -0.231 0.000 0.856 244 N CB -0.134 38.276 38.487 -0.129 0.000 0.993 244 N HN 0.346 nan 8.380 nan 0.000 0.426 245 K N -0.304 119.857 120.400 -0.398 0.000 2.103 245 K HA -0.067 4.253 4.320 -0.000 0.000 0.204 245 K C 0.712 176.810 176.600 -0.836 0.000 1.052 245 K CA 1.108 56.989 56.287 -0.675 0.000 0.945 245 K CB 0.136 32.066 32.500 -0.951 0.000 0.722 245 K HN 0.344 nan 8.250 nan 0.000 0.443 246 Y N -2.348 117.748 120.300 -0.341 0.000 2.432 246 Y HA 0.182 4.732 4.550 -0.000 0.000 0.252 246 Y C 1.522 176.913 175.900 -0.848 0.000 1.097 246 Y CA -0.223 57.544 58.100 -0.555 0.000 1.250 246 Y CB 0.823 38.910 38.460 -0.621 0.000 1.245 246 Y HN 0.086 nan 8.280 nan 0.000 0.522 247 H N -1.462 117.363 119.070 -0.409 0.000 3.583 247 H HA 0.159 4.715 4.556 -0.000 0.000 0.251 247 H C 1.551 176.408 175.328 -0.784 0.000 1.060 247 H CA 0.105 55.812 56.048 -0.569 0.000 1.159 247 H CB 0.622 29.957 29.762 -0.711 0.000 1.496 247 H HN 0.155 nan 8.280 nan 0.000 0.540 248 K N 1.785 121.652 120.400 -0.887 0.000 2.057 248 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 248 K C 1.262 177.700 176.600 -0.269 0.000 1.050 248 K CA 1.357 57.229 56.287 -0.692 0.000 0.935 248 K CB 0.054 32.267 32.500 -0.479 0.000 0.715 248 K HN 0.300 nan 8.250 nan 0.000 0.439 249 G N -0.371 108.291 108.800 -0.230 0.000 2.614 249 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.303 249 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.303 249 G C 0.836 175.686 174.900 -0.082 0.000 1.270 249 G CA 0.830 45.852 45.100 -0.129 0.000 0.988 249 G HN 0.581 nan 8.290 nan 0.000 0.551 250 A N -0.745 122.048 122.820 -0.044 0.000 2.081 250 A HA 0.383 4.703 4.320 -0.000 0.000 0.214 250 A C 1.705 179.288 177.584 -0.001 0.000 1.158 250 A CA 2.140 54.164 52.037 -0.022 0.000 0.724 250 A CB -0.065 18.928 19.000 -0.011 0.000 0.826 250 A HN 1.123 nan 8.150 nan 0.000 0.463 251 D N -1.874 118.533 120.400 0.011 0.000 2.510 251 D HA 0.192 4.832 4.640 -0.000 0.000 0.234 251 D C 0.893 177.231 176.300 0.063 0.000 1.178 251 D CA 0.439 54.460 54.000 0.036 0.000 0.816 251 D CB -0.890 39.932 40.800 0.037 0.000 1.143 251 D HN 0.216 nan 8.370 nan 0.000 0.526 252 G N 0.231 109.082 108.800 0.084 0.000 2.527 252 G HA2 0.538 4.498 3.960 -0.000 0.000 0.248 252 G HA3 0.538 4.498 3.960 -0.000 0.000 0.248 252 G C -0.281 174.770 174.900 0.253 0.000 1.231 252 G CA -0.557 44.674 45.100 0.218 0.000 0.838 252 G HN 0.045 nan 8.290 nan 0.000 0.570 253 R N -0.035 120.612 120.500 0.246 0.000 2.626 253 R HA 0.554 4.894 4.340 -0.000 0.000 0.274 253 R C -1.385 174.910 176.300 -0.008 0.000 1.031 253 R CA -0.755 55.426 56.100 0.134 0.000 0.898 253 R CB 2.587 32.924 30.300 0.063 0.000 1.222 253 R HN 0.512 nan 8.270 nan 0.000 0.455 254 I N 0.796 121.347 120.570 -0.032 0.000 2.686 254 I HA 0.754 4.924 4.170 -0.000 0.000 0.295 254 I C -0.663 175.495 176.117 0.067 0.000 1.114 254 I CA -0.259 60.973 61.300 -0.114 0.000 1.038 254 I CB 2.224 39.977 38.000 -0.411 0.000 1.238 254 I HN 0.786 nan 8.210 nan 0.000 0.420 255 G N 6.092 114.961 108.800 0.116 0.000 2.772 255 G HA2 0.647 4.607 3.960 -0.000 0.000 0.284 255 G HA3 0.647 4.607 3.960 -0.000 0.000 0.284 255 G C -1.751 173.277 174.900 0.215 0.000 1.217 255 G CA -0.517 44.718 45.100 0.224 0.000 0.831 255 G HN 0.868 nan 8.290 nan 0.000 0.523 256 L N -3.267 118.035 121.223 0.132 0.000 2.568 256 L HA 0.961 5.301 4.340 -0.000 0.000 0.257 256 L C -0.854 176.020 176.870 0.005 0.000 1.024 256 L CA -1.321 53.560 54.840 0.069 0.000 0.854 256 L CB 1.975 44.051 42.059 0.028 0.000 1.460 256 L HN 1.086 nan 8.230 nan 0.000 0.409 257 A N 2.454 125.258 122.820 -0.027 0.000 2.273 257 A HA 0.784 5.104 4.320 -0.000 0.000 0.315 257 A C -0.832 176.706 177.584 -0.077 0.000 1.256 257 A CA -0.483 51.525 52.037 -0.049 0.000 0.851 257 A CB 0.820 19.773 19.000 -0.078 0.000 1.172 257 A HN 0.665 nan 8.150 nan 0.000 0.508 258 L N 3.976 125.166 121.223 -0.056 0.000 2.296 258 L HA 0.353 4.692 4.340 -0.000 0.000 0.286 258 L C 0.137 176.992 176.870 -0.026 0.000 1.023 258 L CA -0.972 53.831 54.840 -0.061 0.000 0.812 258 L CB 1.416 43.458 42.059 -0.028 0.000 1.223 258 L HN 0.869 nan 8.230 nan 0.000 0.421 259 N N 3.083 121.758 118.700 -0.042 0.000 2.513 259 N HA 0.250 4.990 4.740 -0.000 0.000 0.268 259 N C -0.980 174.520 175.510 -0.018 0.000 1.180 259 N CA -0.336 52.688 53.050 -0.044 0.000 0.948 259 N CB 2.053 40.480 38.487 -0.099 0.000 1.083 259 N HN 0.263 nan 8.380 nan 0.000 0.455 260 V N 2.190 122.100 119.914 -0.007 0.000 2.524 260 V HA 0.330 4.450 4.120 -0.000 0.000 0.297 260 V C -0.649 175.510 176.094 0.108 0.000 1.035 260 V CA -0.784 61.582 62.300 0.110 0.000 0.867 260 V CB 0.613 32.553 31.823 0.195 0.000 1.004 260 V HN 0.498 nan 8.190 nan 0.000 0.426 261 F N 2.431 122.548 119.950 0.278 0.000 2.427 261 F HA 0.578 5.105 4.527 -0.000 0.000 0.352 261 F C 1.405 177.406 175.800 0.334 0.000 1.100 261 F CA 0.178 58.354 58.000 0.293 0.000 1.191 261 F CB 1.031 40.159 39.000 0.214 0.000 1.128 261 F HN 0.611 nan 8.300 nan 0.000 0.533 262 G N 3.343 112.514 108.800 0.618 0.000 2.491 262 G HA2 0.403 4.363 3.960 -0.000 0.000 0.242 262 G HA3 0.403 4.363 3.960 -0.000 0.000 0.242 262 G C -0.437 174.664 174.900 0.336 0.000 1.266 262 G CA -0.735 44.646 45.100 0.469 0.000 0.844 262 G HN 0.447 nan 8.290 nan 0.000 0.571 263 R N 0.845 121.496 120.500 0.251 0.000 2.532 263 R HA 0.417 4.757 4.340 -0.000 0.000 0.297 263 R C -1.248 175.146 176.300 0.156 0.000 0.984 263 R CA -0.719 55.490 56.100 0.181 0.000 0.884 263 R CB 1.878 32.294 30.300 0.193 0.000 1.182 263 R HN 0.307 nan 8.270 nan 0.000 0.442 264 V N 4.578 124.553 119.914 0.102 0.000 2.495 264 V HA 0.372 4.492 4.120 -0.000 0.000 0.298 264 V C -2.180 174.091 176.094 0.295 0.000 1.031 264 V CA -2.388 60.005 62.300 0.155 0.000 0.871 264 V CB 2.171 33.992 31.823 -0.004 0.000 0.988 264 V HN 0.511 nan 8.190 nan 0.000 0.432 265 P HA 0.013 nan 4.420 nan 0.000 0.264 265 P C 0.178 177.676 177.300 0.330 0.000 1.193 265 P CA 0.222 63.480 63.100 0.264 0.000 0.763 265 P CB 0.324 32.135 31.700 0.186 0.000 0.810 266 Y N 3.881 124.285 120.300 0.173 0.000 2.151 266 Y HA -0.200 4.349 4.550 -0.000 0.000 0.284 266 Y C 1.102 176.960 175.900 -0.070 0.000 1.166 266 Y CA 2.163 60.279 58.100 0.027 0.000 1.163 266 Y CB -0.104 38.357 38.460 0.002 0.000 0.974 266 Y HN 0.378 nan 8.280 nan 0.000 0.511 267 T N -2.891 111.702 114.554 0.065 0.000 2.887 267 T HA 0.341 4.691 4.350 -0.000 0.000 0.292 267 T C -0.430 174.292 174.700 0.037 0.000 1.087 267 T CA -0.889 61.194 62.100 -0.027 0.000 1.009 267 T CB 1.288 70.146 68.868 -0.017 0.000 1.203 267 T HN 0.222 nan 8.240 nan 0.000 0.518 268 N N 0.496 119.210 118.700 0.023 0.000 3.091 268 N HA 0.295 5.035 4.740 -0.000 0.000 0.301 268 N C -0.692 174.844 175.510 0.044 0.000 1.325 268 N CA -0.202 52.878 53.050 0.051 0.000 1.143 268 N CB 0.371 38.889 38.487 0.053 0.000 1.450 268 N HN 0.458 nan 8.380 nan 0.000 0.542 269 T N -0.316 114.250 114.554 0.020 0.000 2.885 269 T HA 0.182 4.532 4.350 -0.000 0.000 0.285 269 T C 1.116 175.794 174.700 -0.037 0.000 1.019 269 T CA -0.781 61.292 62.100 -0.044 0.000 1.010 269 T CB 0.678 69.468 68.868 -0.131 0.000 1.022 269 T HN 0.303 nan 8.240 nan 0.000 0.466 270 F N 2.106 122.060 119.950 0.006 0.000 2.202 270 F HA -0.010 4.517 4.527 0.000 0.000 0.301 270 F C 1.659 177.447 175.800 -0.020 0.000 1.082 270 F CA 1.164 59.164 58.000 -0.001 0.000 1.313 270 F CB -0.949 38.044 39.000 -0.012 0.000 1.024 270 F HN 0.395 nan 8.300 nan 0.000 0.495 271 L N 0.483 121.367 121.223 -0.566 0.000 2.046 271 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 271 L C 2.121 178.927 176.870 -0.106 0.000 1.077 271 L CA 1.504 56.088 54.840 -0.426 0.000 0.747 271 L CB -0.759 40.866 42.059 -0.723 0.000 0.896 271 L HN 0.127 nan 8.230 nan 0.000 0.432 272 D N -0.709 119.666 120.400 -0.042 0.000 2.234 272 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 272 D C 2.279 178.656 176.300 0.128 0.000 0.962 272 D CA 0.704 54.763 54.000 0.099 0.000 0.855 272 D CB 0.025 40.910 40.800 0.141 0.000 0.951 272 D HN 0.388 nan 8.370 nan 0.000 0.500 273 Q N 0.416 120.281 119.800 0.108 0.000 2.079 273 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 273 Q C 2.153 178.236 176.000 0.139 0.000 0.974 273 Q CA 1.025 56.907 55.803 0.131 0.000 0.840 273 Q CB -0.025 28.793 28.738 0.132 0.000 0.898 273 Q HN 0.355 nan 8.270 nan 0.000 0.430 274 Q N -0.003 119.883 119.800 0.143 0.000 2.084 274 Q HA -0.137 4.202 4.340 -0.000 0.000 0.202 274 Q C 2.119 178.217 176.000 0.164 0.000 0.978 274 Q CA 1.296 57.189 55.803 0.151 0.000 0.844 274 Q CB -0.182 28.653 28.738 0.162 0.000 0.898 274 Q HN 0.391 nan 8.270 nan 0.000 0.426 275 A N 0.805 123.733 122.820 0.180 0.000 1.933 275 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 275 A C 2.073 179.752 177.584 0.158 0.000 1.175 275 A CA 1.322 53.470 52.037 0.186 0.000 0.628 275 A CB -0.519 18.602 19.000 0.200 0.000 0.814 275 A HN 0.286 nan 8.150 nan 0.000 0.444 276 Q N -0.240 119.656 119.800 0.161 0.000 2.084 276 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 276 Q C 1.789 177.882 176.000 0.155 0.000 0.978 276 Q CA 1.795 57.695 55.803 0.161 0.000 0.844 276 Q CB -0.238 28.600 28.738 0.167 0.000 0.898 276 Q HN 0.685 nan 8.270 nan 0.000 0.426 277 E N 0.273 120.561 120.200 0.148 0.000 2.072 277 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 277 E C 2.149 178.838 176.600 0.148 0.000 0.985 277 E CA 0.699 57.185 56.400 0.144 0.000 0.801 277 E CB -0.150 29.627 29.700 0.129 0.000 0.750 277 E HN 0.374 nan 8.360 nan 0.000 0.452 278 R N 0.506 121.092 120.500 0.143 0.000 2.105 278 R HA -0.071 4.269 4.340 -0.000 0.000 0.239 278 R C 2.546 178.917 176.300 0.118 0.000 1.135 278 R CA 1.396 57.575 56.100 0.131 0.000 0.967 278 R CB -0.218 30.163 30.300 0.135 0.000 0.861 278 R HN 0.019 nan 8.270 nan 0.000 0.442 279 S N 0.530 116.304 115.700 0.124 0.000 2.368 279 S HA -0.080 4.390 4.470 -0.000 0.000 0.224 279 S C 1.962 176.656 174.600 0.158 0.000 1.029 279 S CA 1.032 59.303 58.200 0.119 0.000 0.988 279 S CB -0.043 63.227 63.200 0.117 0.000 0.838 279 S HN 0.181 nan 8.310 nan 0.000 0.462 280 M N 1.740 121.448 119.600 0.179 0.000 2.117 280 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 280 M C 1.521 177.951 176.300 0.217 0.000 1.065 280 M CA 1.326 56.754 55.300 0.212 0.000 1.114 280 M CB -1.498 31.230 32.600 0.214 0.000 1.361 280 M HN 0.171 nan 8.290 nan 0.000 0.408 281 D N 0.188 120.703 120.400 0.193 0.000 2.123 281 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 281 D C 1.951 178.347 176.300 0.160 0.000 0.992 281 D CA 1.238 55.351 54.000 0.188 0.000 0.833 281 D CB -0.200 40.695 40.800 0.158 0.000 0.954 281 D HN 0.141 nan 8.370 nan 0.000 0.455 282 K N 0.060 120.527 120.400 0.112 0.000 2.366 282 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 282 K C 1.704 178.433 176.600 0.214 0.000 1.044 282 K CA 0.450 56.757 56.287 0.034 0.000 0.973 282 K CB -0.447 32.021 32.500 -0.053 0.000 0.767 282 K HN 0.198 nan 8.250 nan 0.000 0.475 283 C N -1.256 118.215 119.300 0.285 0.000 2.742 283 C HA 0.266 4.725 4.460 -0.000 0.000 0.284 283 C C 2.212 177.435 174.990 0.389 0.000 1.481 283 C CA -0.002 59.249 59.018 0.388 0.000 1.809 283 C CB -0.945 27.025 27.740 0.383 0.000 1.991 283 C HN 0.519 nan 8.230 nan 0.000 0.660 284 L N 2.035 123.434 121.223 0.295 0.000 2.005 284 L HA 0.233 4.573 4.340 -0.000 0.000 0.207 284 L C 2.388 179.372 176.870 0.189 0.000 1.072 284 L CA 2.826 57.797 54.840 0.219 0.000 0.744 284 L CB -1.303 40.862 42.059 0.176 0.000 0.895 284 L HN 0.484 nan 8.230 nan 0.000 0.433 285 G N -1.461 107.464 108.800 0.208 0.000 2.432 285 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.219 285 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.219 285 G C 1.337 176.371 174.900 0.224 0.000 1.135 285 G CA 0.588 45.797 45.100 0.181 0.000 0.767 285 G HN 0.575 nan 8.290 nan 0.000 0.550 286 W N 1.152 122.453 121.300 0.003 0.000 2.325 286 W HA -0.018 4.642 4.660 -0.000 0.000 0.299 286 W C 1.624 177.877 176.519 -0.442 0.000 1.215 286 W CA 1.013 58.241 57.345 -0.195 0.000 1.244 286 W CB -0.527 28.719 29.460 -0.356 0.000 1.140 286 W HN 0.241 nan 8.180 nan 0.000 0.523 287 F N -1.741 118.315 119.950 0.176 0.000 2.602 287 F HA 0.076 4.603 4.527 -0.000 0.000 0.284 287 F C 1.929 177.664 175.800 -0.108 0.000 1.111 287 F CA 0.314 58.285 58.000 -0.048 0.000 1.405 287 F CB -1.211 37.675 39.000 -0.191 0.000 1.121 287 F HN -0.259 nan 8.300 nan 0.000 0.603 288 L N 0.565 121.797 121.223 0.015 0.000 2.072 288 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 288 L C 2.098 178.852 176.870 -0.192 0.000 1.079 288 L CA 1.912 56.638 54.840 -0.190 0.000 0.752 288 L CB -0.583 41.254 42.059 -0.370 0.000 0.906 288 L HN 0.068 nan 8.230 nan 0.000 0.436 289 E N -0.327 119.823 120.200 -0.084 0.000 2.077 289 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 289 E C -0.434 176.160 176.600 -0.009 0.000 0.989 289 E CA 1.382 57.792 56.400 0.017 0.000 0.800 289 E CB -0.976 28.815 29.700 0.152 0.000 0.746 289 E HN 0.463 nan 8.360 nan 0.000 0.452 290 P HA -0.193 nan 4.420 nan 0.000 0.215 290 P C 1.751 178.964 177.300 -0.144 0.000 1.157 290 P CA 1.649 64.628 63.100 -0.201 0.000 0.874 290 P CB -0.102 31.419 31.700 -0.298 0.000 0.790 291 V N -3.877 115.986 119.914 -0.085 0.000 2.871 291 V HA -0.082 4.038 4.120 -0.000 0.000 0.256 291 V C 1.937 178.141 176.094 0.183 0.000 1.082 291 V CA 1.458 63.782 62.300 0.041 0.000 1.105 291 V CB -1.327 30.512 31.823 0.028 0.000 0.713 291 V HN -0.069 nan 8.190 nan 0.000 0.473 292 V N 1.638 121.605 119.914 0.088 0.000 2.446 292 V HA 0.029 4.149 4.120 -0.000 0.000 0.244 292 V C 2.679 178.874 176.094 0.169 0.000 1.039 292 V CA 2.285 64.706 62.300 0.201 0.000 1.045 292 V CB -0.345 31.545 31.823 0.112 0.000 0.681 292 V HN 0.797 nan 8.190 nan 0.000 0.459 293 R N -0.677 119.885 120.500 0.103 0.000 2.521 293 R HA 0.407 4.747 4.340 -0.000 0.000 0.289 293 R C 1.331 177.658 176.300 0.046 0.000 0.936 293 R CA 0.916 57.072 56.100 0.093 0.000 1.089 293 R CB 0.879 31.253 30.300 0.123 0.000 1.348 293 R HN 0.340 nan 8.270 nan 0.000 0.536 294 G N 0.457 109.247 108.800 -0.016 0.000 2.179 294 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 294 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 294 G C -0.565 174.287 174.900 -0.081 0.000 0.990 294 G CA 0.212 45.259 45.100 -0.089 0.000 0.646 294 G HN 0.504 nan 8.290 nan 0.000 0.517 295 D N -1.741 118.647 120.400 -0.020 0.000 2.615 295 D HA 0.562 5.202 4.640 -0.000 0.000 0.267 295 D C -0.243 176.072 176.300 0.024 0.000 1.236 295 D CA -0.645 53.382 54.000 0.046 0.000 0.839 295 D CB 0.648 41.552 40.800 0.174 0.000 1.380 295 D HN -0.015 nan 8.370 nan 0.000 0.433 296 Y N 0.320 120.750 120.300 0.217 0.000 2.426 296 Y HA 0.295 4.845 4.550 -0.000 0.000 0.344 296 Y C -1.488 174.486 175.900 0.124 0.000 1.256 296 Y CA -1.242 56.948 58.100 0.150 0.000 1.451 296 Y CB -0.263 38.248 38.460 0.085 0.000 1.342 296 Y HN 0.134 nan 8.280 nan 0.000 0.600 297 P HA -0.074 nan 4.420 nan 0.000 0.266 297 P C 0.465 177.896 177.300 0.218 0.000 1.195 297 P CA 0.225 63.474 63.100 0.247 0.000 0.768 297 P CB 0.324 32.154 31.700 0.216 0.000 0.838 298 F N 3.285 123.299 119.950 0.107 0.000 2.120 298 F HA -0.298 4.229 4.527 0.000 0.000 0.300 298 F C 2.234 178.060 175.800 0.043 0.000 1.095 298 F CA 2.538 60.582 58.000 0.074 0.000 1.249 298 F CB -0.530 38.510 39.000 0.067 0.000 0.995 298 F HN 0.332 nan 8.300 nan 0.000 0.480 299 S N 0.201 116.041 115.700 0.233 0.000 2.399 299 S HA -0.278 4.192 4.470 -0.000 0.000 0.231 299 S C 2.017 176.588 174.600 -0.048 0.000 1.022 299 S CA 1.530 59.801 58.200 0.118 0.000 0.983 299 S CB -0.777 62.517 63.200 0.158 0.000 0.803 299 S HN 0.553 nan 8.310 nan 0.000 0.480 300 M N 0.869 120.431 119.600 -0.063 0.000 2.132 300 M HA 0.016 4.496 4.480 -0.000 0.000 0.263 300 M C 2.775 178.917 176.300 -0.264 0.000 1.065 300 M CA 1.286 56.489 55.300 -0.161 0.000 1.122 300 M CB -0.310 32.181 32.600 -0.182 0.000 1.365 300 M HN 0.313 nan 8.290 nan 0.000 0.411 301 R N -0.447 119.883 120.500 -0.282 0.000 2.066 301 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 301 R C 2.216 178.293 176.300 -0.373 0.000 1.131 301 R CA 1.275 57.165 56.100 -0.350 0.000 0.955 301 R CB -0.750 29.358 30.300 -0.319 0.000 0.851 301 R HN 0.230 nan 8.270 nan 0.000 0.432 302 V N 0.552 120.164 119.914 -0.502 0.000 2.594 302 V HA -0.239 3.881 4.120 -0.000 0.000 0.253 302 V C 2.330 178.289 176.094 -0.223 0.000 1.069 302 V CA 2.130 64.183 62.300 -0.412 0.000 1.082 302 V CB 0.014 31.531 31.823 -0.509 0.000 0.680 302 V HN 0.325 nan 8.190 nan 0.000 0.469 303 S N -0.499 115.091 115.700 -0.185 0.000 2.336 303 S HA 0.031 4.501 4.470 -0.000 0.000 0.216 303 S C 1.915 176.440 174.600 -0.125 0.000 1.032 303 S CA 1.301 59.445 58.200 -0.094 0.000 0.973 303 S CB -0.224 62.972 63.200 -0.007 0.000 0.888 303 S HN 0.735 nan 8.310 nan 0.000 0.455 304 A N 1.127 123.808 122.820 -0.232 0.000 2.195 304 A HA 0.361 4.681 4.320 -0.000 0.000 0.210 304 A C 1.144 178.514 177.584 -0.355 0.000 1.165 304 A CA 0.089 51.925 52.037 -0.335 0.000 0.806 304 A CB -0.238 18.410 19.000 -0.587 0.000 0.847 304 A HN 0.451 nan 8.150 nan 0.000 0.482 305 R N 0.226 120.545 120.500 -0.301 0.000 3.812 305 R HA -0.226 4.114 4.340 -0.000 0.000 0.448 305 R C 0.443 176.591 176.300 -0.254 0.000 0.241 305 R CA 1.888 57.849 56.100 -0.232 0.000 1.418 305 R CB -1.918 28.288 30.300 -0.157 0.000 0.951 305 R HN 0.445 nan 8.270 nan 0.000 0.584 306 D N 1.433 121.720 120.400 -0.188 0.000 2.350 306 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 306 D C 1.831 177.984 176.300 -0.246 0.000 0.968 306 D CA 0.854 54.755 54.000 -0.165 0.000 0.894 306 D CB -0.232 40.503 40.800 -0.108 0.000 0.909 306 D HN 0.306 nan 8.370 nan 0.000 0.520 307 R N 0.018 120.310 120.500 -0.346 0.000 2.280 307 R HA 0.038 4.378 4.340 -0.000 0.000 0.207 307 R C 0.181 176.097 176.300 -0.640 0.000 1.043 307 R CA 0.228 56.059 56.100 -0.448 0.000 1.006 307 R CB 0.426 30.424 30.300 -0.503 0.000 0.885 307 R HN 0.003 nan 8.270 nan 0.000 0.467 308 V N 3.364 122.881 119.914 -0.661 0.000 2.333 308 V HA 0.217 4.337 4.120 -0.000 0.000 0.274 308 V C -2.117 173.629 176.094 -0.580 0.000 1.028 308 V CA -2.140 59.741 62.300 -0.698 0.000 0.851 308 V CB 1.120 32.491 31.823 -0.753 0.000 1.000 308 V HN -0.025 nan 8.190 nan 0.000 0.456 309 P HA 0.247 nan 4.420 nan 0.000 0.272 309 P C -1.087 175.805 177.300 -0.680 0.000 1.230 309 P CA -0.145 62.560 63.100 -0.659 0.000 0.788 309 P CB 0.409 31.445 31.700 -1.107 0.000 0.949 310 Y N -0.163 119.934 120.300 -0.340 0.000 2.361 310 Y HA 0.399 4.948 4.550 -0.000 0.000 0.332 310 Y C 0.471 176.348 175.900 -0.038 0.000 1.101 310 Y CA -0.207 57.821 58.100 -0.119 0.000 1.137 310 Y CB 0.649 39.096 38.460 -0.023 0.000 1.207 310 Y HN 0.224 nan 8.280 nan 0.000 0.463 311 F N 2.493 122.692 119.950 0.414 0.000 2.418 311 F HA 0.259 4.785 4.527 -0.000 0.000 0.341 311 F C 0.612 176.537 175.800 0.210 0.000 1.120 311 F CA -0.467 57.711 58.000 0.296 0.000 1.232 311 F CB 0.573 39.653 39.000 0.134 0.000 1.175 311 F HN 0.272 nan 8.300 nan 0.000 0.569 312 K N 1.590 122.197 120.400 0.344 0.000 2.219 312 K HA 0.009 4.329 4.320 -0.000 0.000 0.258 312 K C 1.218 177.924 176.600 0.178 0.000 1.008 312 K CA -0.353 56.059 56.287 0.209 0.000 0.928 312 K CB 0.716 33.310 32.500 0.156 0.000 0.983 312 K HN 0.739 nan 8.250 nan 0.000 0.484 313 E N 1.808 122.080 120.200 0.120 0.000 2.058 313 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 313 E C 1.557 178.199 176.600 0.071 0.000 0.997 313 E CA 1.728 58.183 56.400 0.090 0.000 0.801 313 E CB 0.155 29.893 29.700 0.063 0.000 0.746 313 E HN 0.381 nan 8.360 nan 0.000 0.450 314 K N 0.867 121.305 120.400 0.064 0.000 2.057 314 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 314 K C 1.891 178.516 176.600 0.041 0.000 1.050 314 K CA 1.711 58.025 56.287 0.046 0.000 0.935 314 K CB -0.021 32.504 32.500 0.042 0.000 0.715 314 K HN 0.223 nan 8.250 nan 0.000 0.439 315 E N 0.025 120.264 120.200 0.065 0.000 2.058 315 E HA -0.265 4.084 4.350 -0.000 0.000 0.194 315 E C 2.141 178.727 176.600 -0.022 0.000 0.997 315 E CA 1.343 57.772 56.400 0.048 0.000 0.801 315 E CB -0.080 29.698 29.700 0.131 0.000 0.746 315 E HN 0.428 nan 8.360 nan 0.000 0.450 316 Q N 0.778 120.583 119.800 0.009 0.000 2.096 316 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 316 Q C 1.884 177.855 176.000 -0.048 0.000 0.982 316 Q CA 1.474 57.245 55.803 -0.054 0.000 0.850 316 Q CB 0.108 28.879 28.738 0.055 0.000 0.901 316 Q HN 0.285 nan 8.270 nan 0.000 0.422 317 E N 0.044 120.239 120.200 -0.008 0.000 2.077 317 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 317 E C 1.937 178.523 176.600 -0.023 0.000 0.989 317 E CA 1.193 57.587 56.400 -0.009 0.000 0.800 317 E CB 0.073 29.775 29.700 0.002 0.000 0.746 317 E HN 0.252 nan 8.360 nan 0.000 0.452 318 K N 0.461 120.845 120.400 -0.027 0.000 2.148 318 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 318 K C 2.170 178.747 176.600 -0.038 0.000 1.050 318 K CA 0.549 56.818 56.287 -0.030 0.000 0.942 318 K CB 0.002 32.490 32.500 -0.021 0.000 0.724 318 K HN 0.120 nan 8.250 nan 0.000 0.446 319 L N 1.232 122.408 121.223 -0.079 0.000 2.056 319 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 319 L C 0.404 177.259 176.870 -0.025 0.000 1.078 319 L CA 0.565 55.345 54.840 -0.099 0.000 0.749 319 L CB 0.100 41.964 42.059 -0.326 0.000 0.901 319 L HN -0.064 nan 8.230 nan 0.000 0.433 320 V N 1.175 121.071 119.914 -0.030 0.000 2.493 320 V HA 0.109 4.229 4.120 -0.000 0.000 0.292 320 V C 1.234 177.348 176.094 0.032 0.000 1.016 320 V CA 0.973 63.283 62.300 0.018 0.000 1.097 320 V CB 0.026 31.855 31.823 0.010 0.000 0.947 320 V HN 0.665 nan 8.190 nan 0.000 0.479 321 G N 4.313 113.167 108.800 0.089 0.000 2.179 321 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 321 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 321 G C 0.481 175.306 174.900 -0.125 0.000 1.010 321 G CA 0.315 45.373 45.100 -0.070 0.000 0.736 321 G HN 1.328 nan 8.290 nan 0.000 0.513 322 S N -0.217 115.573 115.700 0.151 0.000 3.811 322 S HA 0.576 5.046 4.470 -0.000 0.000 0.205 322 S C 0.042 174.870 174.600 0.381 0.000 1.445 322 S CA 0.213 58.523 58.200 0.184 0.000 1.097 322 S CB -0.759 62.557 63.200 0.193 0.000 1.350 322 S HN 1.710 nan 8.310 nan 0.000 0.471 323 Y N -2.798 117.574 120.300 0.121 0.000 2.565 323 Y HA 0.552 5.102 4.550 -0.000 0.000 0.330 323 Y C -0.576 175.381 175.900 0.095 0.000 1.150 323 Y CA -1.236 56.940 58.100 0.127 0.000 1.055 323 Y CB 0.379 38.917 38.460 0.129 0.000 1.337 323 Y HN 0.014 nan 8.280 nan 0.000 0.457 324 D N 2.966 123.463 120.400 0.162 0.000 2.392 324 D HA 0.080 4.720 4.640 -0.000 0.000 0.206 324 D C 0.379 176.828 176.300 0.249 0.000 1.046 324 D CA 1.067 55.138 54.000 0.118 0.000 0.865 324 D CB 0.753 41.617 40.800 0.107 0.000 0.969 324 D HN 0.615 nan 8.370 nan 0.000 0.509 325 M N -0.149 119.662 119.600 0.350 0.000 2.603 325 M HA 0.366 4.846 4.480 -0.000 0.000 0.275 325 M C -2.314 174.165 176.300 0.298 0.000 1.226 325 M CA -0.772 54.743 55.300 0.357 0.000 0.870 325 M CB 2.256 35.108 32.600 0.419 0.000 1.716 325 M HN -0.394 nan 8.290 nan 0.000 0.482 326 I N 1.881 122.580 120.570 0.214 0.000 2.406 326 I HA 0.580 4.750 4.170 -0.000 0.000 0.290 326 I C 0.649 176.851 176.117 0.142 0.000 0.999 326 I CA -0.198 61.156 61.300 0.091 0.000 1.124 326 I CB 1.336 39.312 38.000 -0.040 0.000 1.289 326 I HN 0.940 nan 8.210 nan 0.000 0.441 327 G N 6.986 115.851 108.800 0.108 0.000 2.390 327 G HA2 0.529 4.489 3.960 -0.000 0.000 0.270 327 G HA3 0.529 4.489 3.960 -0.000 0.000 0.270 327 G C -0.342 174.594 174.900 0.059 0.000 1.211 327 G CA -0.303 44.858 45.100 0.102 0.000 0.842 327 G HN 0.385 nan 8.290 nan 0.000 0.519 328 I N 2.264 122.884 120.570 0.083 0.000 2.362 328 I HA 0.234 4.403 4.170 -0.000 0.000 0.289 328 I C -0.776 175.381 176.117 0.066 0.000 0.994 328 I CA -1.219 60.128 61.300 0.079 0.000 1.158 328 I CB 1.502 39.567 38.000 0.108 0.000 1.315 328 I HN 0.282 nan 8.210 nan 0.000 0.451 329 N N 6.324 125.046 118.700 0.036 0.000 2.457 329 N HA 0.259 4.999 4.740 -0.000 0.000 0.250 329 N C -1.047 174.458 175.510 -0.008 0.000 0.982 329 N CA -0.263 52.774 53.050 -0.022 0.000 0.941 329 N CB 1.048 39.534 38.487 -0.001 0.000 1.120 329 N HN 0.423 nan 8.380 nan 0.000 0.505 330 Y N 2.301 122.467 120.300 -0.224 0.000 2.350 330 Y HA 0.342 4.892 4.550 -0.000 0.000 0.338 330 Y C -0.601 175.112 175.900 -0.311 0.000 0.961 330 Y CA -0.569 57.460 58.100 -0.118 0.000 1.100 330 Y CB 0.708 39.187 38.460 0.032 0.000 1.179 330 Y HN 0.544 nan 8.280 nan 0.000 0.454 331 Y N 1.957 121.814 120.300 -0.738 0.000 2.701 331 Y HA 0.316 4.866 4.550 -0.000 0.000 0.275 331 Y C 0.966 176.588 175.900 -0.462 0.000 1.133 331 Y CA 0.540 58.402 58.100 -0.397 0.000 1.241 331 Y CB 1.142 39.543 38.460 -0.099 0.000 1.389 331 Y HN 0.585 nan 8.280 nan 0.000 0.486 332 T N -1.412 112.914 114.554 -0.379 0.000 2.693 332 T HA 0.612 4.962 4.350 -0.000 0.000 0.304 332 T C -1.507 173.405 174.700 0.354 0.000 1.471 332 T CA -0.536 61.633 62.100 0.116 0.000 0.993 332 T CB 1.213 70.259 68.868 0.296 0.000 1.554 332 T HN -0.070 nan 8.240 nan 0.000 0.496 333 S N 0.345 116.282 115.700 0.395 0.000 2.627 333 S HA 0.871 5.341 4.470 -0.000 0.000 0.283 333 S C -0.804 173.842 174.600 0.077 0.000 1.127 333 S CA -0.685 57.707 58.200 0.320 0.000 0.863 333 S CB 1.919 65.301 63.200 0.303 0.000 1.121 333 S HN 1.091 nan 8.310 nan 0.000 0.479 334 T N -0.976 113.578 114.554 -0.000 0.000 2.864 334 T HA 0.778 5.128 4.350 -0.000 0.000 0.289 334 T C -0.838 173.735 174.700 -0.212 0.000 1.082 334 T CA -0.736 61.297 62.100 -0.111 0.000 1.009 334 T CB 0.395 69.267 68.868 0.007 0.000 1.234 334 T HN 0.293 nan 8.240 nan 0.000 0.526 335 F N 1.064 121.050 119.950 0.060 0.000 2.389 335 F HA 0.535 5.062 4.527 -0.000 0.000 0.337 335 F C 1.061 176.937 175.800 0.127 0.000 1.112 335 F CA -0.370 57.701 58.000 0.119 0.000 1.192 335 F CB 1.233 40.364 39.000 0.219 0.000 1.185 335 F HN 0.491 nan 8.300 nan 0.000 0.552 336 S N 2.199 118.102 115.700 0.338 0.000 2.478 336 S HA 0.386 4.856 4.470 -0.000 0.000 0.312 336 S C -0.699 174.024 174.600 0.204 0.000 1.094 336 S CA -0.951 57.374 58.200 0.208 0.000 1.081 336 S CB 1.358 64.660 63.200 0.169 0.000 1.007 336 S HN 0.478 nan 8.310 nan 0.000 0.475 337 K N 2.133 122.577 120.400 0.073 0.000 2.345 337 K HA 0.302 4.622 4.320 -0.000 0.000 0.255 337 K C -0.609 175.996 176.600 0.010 0.000 0.934 337 K CA -0.699 55.569 56.287 -0.032 0.000 0.801 337 K CB 0.880 33.135 32.500 -0.408 0.000 1.137 337 K HN 0.821 nan 8.250 nan 0.000 0.424 338 H N 3.726 122.780 119.070 -0.027 0.000 2.972 338 H HA 0.121 4.677 4.556 0.000 0.000 0.343 338 H C -0.746 174.577 175.328 -0.008 0.000 1.054 338 H CA 0.612 56.661 56.048 0.003 0.000 1.412 338 H CB 0.356 30.116 29.762 -0.002 0.000 1.385 338 H HN 0.423 nan 8.280 nan 0.000 0.600 339 I N 4.831 125.046 120.570 -0.592 0.000 2.406 339 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 339 I C -0.265 175.454 176.117 -0.662 0.000 0.999 339 I CA -0.980 60.040 61.300 -0.467 0.000 1.124 339 I CB 1.579 39.465 38.000 -0.189 0.000 1.289 339 I HN 0.650 nan 8.210 nan 0.000 0.441 340 D N 5.270 125.438 120.400 -0.387 0.000 2.414 340 D HA 0.073 4.713 4.640 -0.000 0.000 0.242 340 D C -0.232 176.095 176.300 0.044 0.000 1.129 340 D CA -0.119 53.831 54.000 -0.083 0.000 0.885 340 D CB 1.526 42.370 40.800 0.074 0.000 1.198 340 D HN 0.132 nan 8.370 nan 0.000 0.437 341 L N 2.850 124.065 121.223 -0.014 0.000 2.385 341 L HA 0.192 4.532 4.340 -0.000 0.000 0.281 341 L C -0.138 176.746 176.870 0.023 0.000 1.106 341 L CA 0.292 55.107 54.840 -0.042 0.000 0.856 341 L CB -0.757 41.136 42.059 -0.277 0.000 1.186 341 L HN 0.455 nan 8.230 nan 0.000 0.453 342 S N 4.958 120.698 115.700 0.066 0.000 2.625 342 S HA 0.664 5.134 4.470 -0.000 0.000 0.271 342 S C -2.390 172.231 174.600 0.035 0.000 1.161 342 S CA -0.860 57.362 58.200 0.037 0.000 0.820 342 S CB 1.493 64.711 63.200 0.030 0.000 1.137 342 S HN 0.395 nan 8.310 nan 0.000 0.470 343 P HA 0.078 nan 4.420 nan 0.000 0.225 343 P C 0.573 177.877 177.300 0.006 0.000 1.148 343 P CA 0.872 63.978 63.100 0.010 0.000 0.779 343 P CB -0.150 31.553 31.700 0.004 0.000 0.780 344 N N -1.122 117.582 118.700 0.007 0.000 2.463 344 N HA -0.033 4.707 4.740 -0.000 0.000 0.181 344 N C 0.340 175.843 175.510 -0.011 0.000 1.078 344 N CA 0.517 53.565 53.050 -0.003 0.000 0.902 344 N CB -0.361 38.124 38.487 -0.004 0.000 0.970 344 N HN 0.209 nan 8.380 nan 0.000 0.451 345 N N 0.249 118.949 118.700 0.000 0.000 2.372 345 N HA 0.205 4.945 4.740 -0.000 0.000 0.285 345 N C -1.477 174.018 175.510 -0.026 0.000 1.008 345 N CA 0.043 53.080 53.050 -0.023 0.000 0.880 345 N CB 1.037 39.517 38.487 -0.013 0.000 1.239 345 N HN -0.236 nan 8.380 nan 0.000 0.484 346 S N 3.286 118.948 115.700 -0.065 0.000 2.707 346 S HA 0.429 4.899 4.470 -0.000 0.000 0.303 346 S C -2.538 171.995 174.600 -0.112 0.000 1.132 346 S CA -0.771 57.389 58.200 -0.066 0.000 1.046 346 S CB 1.669 64.840 63.200 -0.048 0.000 1.004 346 S HN 0.504 nan 8.310 nan 0.000 0.483 347 P HA 0.125 nan 4.420 nan 0.000 0.265 347 P C 0.175 177.403 177.300 -0.119 0.000 1.187 347 P CA -0.123 62.874 63.100 -0.172 0.000 0.766 347 P CB 0.650 32.245 31.700 -0.176 0.000 0.820 348 V N 2.200 122.042 119.914 -0.119 0.000 2.996 348 V HA 0.121 4.241 4.120 -0.000 0.000 0.235 348 V C 0.796 176.833 176.094 -0.094 0.000 1.205 348 V CA 0.607 62.851 62.300 -0.094 0.000 1.225 348 V CB -0.246 31.524 31.823 -0.088 0.000 0.995 348 V HN 0.326 nan 8.190 nan 0.000 0.484 349 L N 1.757 122.914 121.223 -0.110 0.000 2.344 349 L HA 0.414 4.754 4.340 -0.000 0.000 0.272 349 L C 1.577 178.374 176.870 -0.121 0.000 1.035 349 L CA -0.449 54.324 54.840 -0.113 0.000 0.807 349 L CB 0.895 42.881 42.059 -0.122 0.000 1.237 349 L HN 0.284 nan 8.230 nan 0.000 0.442 350 N N 0.171 118.795 118.700 -0.127 0.000 2.192 350 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 350 N C 1.246 176.629 175.510 -0.212 0.000 1.013 350 N CA 2.063 55.014 53.050 -0.164 0.000 0.863 350 N CB -0.808 37.453 38.487 -0.377 0.000 0.990 350 N HN 0.860 nan 8.380 nan 0.000 0.430 351 T N -2.236 112.203 114.554 -0.193 0.000 3.007 351 T HA -0.039 4.311 4.350 -0.000 0.000 0.270 351 T C 1.078 175.675 174.700 -0.172 0.000 1.107 351 T CA 0.921 62.916 62.100 -0.175 0.000 1.118 351 T CB -0.142 68.645 68.868 -0.136 0.000 0.889 351 T HN 0.028 nan 8.240 nan 0.000 0.506 352 D N 1.832 122.119 120.400 -0.189 0.000 2.350 352 D HA -0.049 4.591 4.640 -0.000 0.000 0.216 352 D C 1.389 177.490 176.300 -0.330 0.000 0.968 352 D CA 0.589 54.437 54.000 -0.255 0.000 0.894 352 D CB -0.268 40.379 40.800 -0.256 0.000 0.909 352 D HN 0.423 nan 8.370 nan 0.000 0.520 353 D N 0.392 120.666 120.400 -0.210 0.000 2.348 353 D HA -0.032 4.608 4.640 -0.000 0.000 0.216 353 D C 1.810 178.103 176.300 -0.011 0.000 0.970 353 D CA 0.285 54.209 54.000 -0.128 0.000 0.889 353 D CB 0.051 40.812 40.800 -0.065 0.000 0.912 353 D HN 0.135 nan 8.370 nan 0.000 0.524 354 A N -0.090 122.694 122.820 -0.060 0.000 2.168 354 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 354 A C 0.143 177.809 177.584 0.138 0.000 1.152 354 A CA 0.017 52.076 52.037 0.036 0.000 0.716 354 A CB -0.722 18.277 19.000 -0.003 0.000 0.794 354 A HN 0.259 nan 8.150 nan 0.000 0.465 355 Y N -2.350 117.908 120.300 -0.070 0.000 3.037 355 Y HA -0.141 4.409 4.550 -0.000 0.000 0.204 355 Y C 0.503 176.342 175.900 -0.102 0.000 1.275 355 Y CA 0.532 58.573 58.100 -0.098 0.000 1.066 355 Y CB -1.939 36.467 38.460 -0.090 0.000 1.305 355 Y HN 0.723 nan 8.280 nan 0.000 0.499 356 A N 0.132 122.929 122.820 -0.040 0.000 2.540 356 A HA 0.751 5.071 4.320 -0.000 0.000 0.297 356 A C -0.207 177.337 177.584 -0.066 0.000 1.056 356 A CA -0.179 51.844 52.037 -0.022 0.000 0.700 356 A CB 0.996 20.022 19.000 0.043 0.000 1.280 356 A HN 0.662 nan 8.150 nan 0.000 0.398 357 S N 2.108 117.763 115.700 -0.074 0.000 2.508 357 S HA 0.610 5.080 4.470 -0.000 0.000 0.284 357 S C -0.640 173.935 174.600 -0.041 0.000 1.192 357 S CA -0.678 57.473 58.200 -0.083 0.000 1.070 357 S CB 1.177 64.309 63.200 -0.112 0.000 1.004 357 S HN 0.581 nan 8.310 nan 0.000 0.493 358 Q N 2.546 122.322 119.800 -0.038 0.000 2.331 358 Q HA 0.403 4.743 4.340 -0.000 0.000 0.257 358 Q C -0.468 175.553 176.000 0.034 0.000 0.957 358 Q CA -0.105 55.697 55.803 -0.002 0.000 0.923 358 Q CB 0.949 29.646 28.738 -0.068 0.000 1.212 358 Q HN 0.692 nan 8.270 nan 0.000 0.443 359 E N 1.518 121.796 120.200 0.131 0.000 2.171 359 E HA 0.187 4.537 4.350 -0.000 0.000 0.271 359 E C 0.658 177.422 176.600 0.273 0.000 0.916 359 E CA -0.320 56.191 56.400 0.186 0.000 0.774 359 E CB 1.683 31.522 29.700 0.232 0.000 1.128 359 E HN 0.585 nan 8.360 nan 0.000 0.403 360 T N -0.707 113.971 114.554 0.206 0.000 3.067 360 T HA 0.100 4.450 4.350 -0.000 0.000 0.261 360 T C 0.595 175.475 174.700 0.300 0.000 1.110 360 T CA 0.491 62.713 62.100 0.203 0.000 1.113 360 T CB 0.298 69.250 68.868 0.139 0.000 0.917 360 T HN 0.088 nan 8.240 nan 0.000 0.499 361 K N 1.037 121.619 120.400 0.303 0.000 2.221 361 K HA 0.621 4.941 4.320 -0.000 0.000 0.258 361 K C 0.423 177.114 176.600 0.151 0.000 0.944 361 K CA -0.831 55.605 56.287 0.248 0.000 0.823 361 K CB 1.930 34.516 32.500 0.143 0.000 1.113 361 K HN 0.279 nan 8.250 nan 0.000 0.431 362 G N 1.643 110.324 108.800 -0.197 0.000 2.543 362 G HA2 0.173 4.133 3.960 -0.000 0.000 0.290 362 G HA3 0.173 4.133 3.960 -0.000 0.000 0.290 362 G C -1.578 172.973 174.900 -0.581 0.000 1.310 362 G CA -1.050 43.483 45.100 -0.944 0.000 1.025 362 G HN 0.365 nan 8.290 nan 0.000 0.502 363 P HA -0.040 nan 4.420 nan 0.000 0.226 363 P C 0.527 177.686 177.300 -0.235 0.000 1.153 363 P CA 1.187 63.976 63.100 -0.519 0.000 0.777 363 P CB 0.181 31.497 31.700 -0.641 0.000 0.794 364 D N -1.472 118.788 120.400 -0.233 0.000 2.328 364 D HA 0.120 4.760 4.640 -0.000 0.000 0.221 364 D C 1.428 177.690 176.300 -0.065 0.000 1.072 364 D CA 0.302 54.232 54.000 -0.117 0.000 0.850 364 D CB -0.760 39.981 40.800 -0.097 0.000 0.922 364 D HN 0.226 nan 8.370 nan 0.000 0.516 365 G N 0.001 108.763 108.800 -0.064 0.000 2.176 365 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 365 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 365 G C -0.035 174.875 174.900 0.017 0.000 0.979 365 G CA -0.170 44.925 45.100 -0.008 0.000 0.641 365 G HN 0.402 nan 8.290 nan 0.000 0.530 366 N N 1.040 119.747 118.700 0.012 0.000 2.498 366 N HA 0.653 5.393 4.740 -0.000 0.000 0.287 366 N C 0.602 176.190 175.510 0.129 0.000 1.097 366 N CA 0.503 53.591 53.050 0.064 0.000 0.973 366 N CB 1.432 39.959 38.487 0.068 0.000 1.153 366 N HN 0.704 nan 8.380 nan 0.000 0.472 367 A N 1.650 124.553 122.820 0.139 0.000 2.466 367 A HA 0.037 4.357 4.320 -0.000 0.000 0.238 367 A C 1.664 179.375 177.584 0.212 0.000 1.074 367 A CA -0.239 51.902 52.037 0.174 0.000 0.774 367 A CB -0.131 18.946 19.000 0.127 0.000 1.015 367 A HN 0.883 nan 8.150 nan 0.000 0.498 368 I N 0.637 121.318 120.570 0.186 0.000 2.361 368 I HA 0.087 4.257 4.170 -0.000 0.000 0.251 368 I C 1.006 177.141 176.117 0.030 0.000 1.133 368 I CA 1.803 63.072 61.300 -0.052 0.000 1.413 368 I CB 0.002 37.663 38.000 -0.565 0.000 1.073 368 I HN 0.795 nan 8.210 nan 0.000 0.424 369 G N -0.350 108.517 108.800 0.111 0.000 2.523 369 G HA2 0.382 4.341 3.960 -0.000 0.000 0.291 369 G HA3 0.382 4.341 3.960 -0.000 0.000 0.291 369 G C -3.099 171.886 174.900 0.142 0.000 1.450 369 G CA -0.756 44.452 45.100 0.180 0.000 0.790 369 G HN -0.131 nan 8.290 nan 0.000 0.496 370 P HA 0.332 nan 4.420 nan 0.000 0.274 370 P C -2.639 174.718 177.300 0.096 0.000 1.237 370 P CA -1.252 61.910 63.100 0.103 0.000 0.793 370 P CB 0.920 32.674 31.700 0.091 0.000 0.977 371 P HA 0.048 nan 4.420 nan 0.000 0.271 371 P C 0.694 178.006 177.300 0.021 0.000 1.218 371 P CA 0.171 63.296 63.100 0.042 0.000 0.780 371 P CB 0.262 31.982 31.700 0.034 0.000 0.901 372 T N -1.839 112.699 114.554 -0.027 0.000 3.022 372 T HA 0.393 4.743 4.350 -0.000 0.000 0.250 372 T C 1.142 175.760 174.700 -0.137 0.000 1.060 372 T CA 0.761 62.817 62.100 -0.074 0.000 1.013 372 T CB 0.003 68.795 68.868 -0.127 0.000 0.982 372 T HN 0.560 nan 8.240 nan 0.000 0.508 373 G N 2.222 110.950 108.800 -0.120 0.000 4.172 373 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.204 373 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.204 373 G C 0.031 174.877 174.900 -0.090 0.000 1.256 373 G CA -0.022 45.007 45.100 -0.118 0.000 0.886 373 G HN 0.753 nan 8.290 nan 0.000 0.344 374 N N 1.291 119.912 118.700 -0.132 0.000 2.431 374 N HA 0.646 5.386 4.740 -0.000 0.000 0.289 374 N C 1.391 176.906 175.510 0.008 0.000 1.277 374 N CA 0.584 53.603 53.050 -0.051 0.000 0.972 374 N CB 0.463 38.919 38.487 -0.052 0.000 1.143 374 N HN 0.694 nan 8.380 nan 0.000 0.578 375 A N -1.617 121.283 122.820 0.134 0.000 2.208 375 A HA 0.066 4.386 4.320 -0.000 0.000 0.209 375 A C 0.861 178.612 177.584 0.278 0.000 1.161 375 A CA 0.763 52.917 52.037 0.195 0.000 0.782 375 A CB -0.947 18.188 19.000 0.226 0.000 0.816 375 A HN 0.815 nan 8.150 nan 0.000 0.477 376 W N -2.237 119.112 121.300 0.081 0.000 2.340 376 W HA 0.388 5.047 4.660 -0.000 0.000 0.250 376 W C -0.534 176.065 176.519 0.133 0.000 0.952 376 W CA -0.245 57.159 57.345 0.099 0.000 1.219 376 W CB -0.149 29.373 29.460 0.103 0.000 0.921 376 W HN -0.009 nan 8.180 nan 0.000 0.603 377 I N 4.664 124.936 120.570 -0.496 0.000 2.278 377 I HA 0.140 4.310 4.170 -0.000 0.000 0.296 377 I C -0.346 175.728 176.117 -0.071 0.000 1.121 377 I CA 0.050 61.098 61.300 -0.421 0.000 1.267 377 I CB -0.151 37.441 38.000 -0.680 0.000 1.447 377 I HN -0.165 nan 8.210 nan 0.000 0.509 378 N N 6.155 124.908 118.700 0.088 0.000 2.473 378 N HA 0.285 5.025 4.740 -0.000 0.000 0.291 378 N C -0.363 175.295 175.510 0.247 0.000 1.083 378 N CA -0.703 52.434 53.050 0.145 0.000 0.951 378 N CB 1.776 40.347 38.487 0.141 0.000 1.164 378 N HN 0.437 nan 8.380 nan 0.000 0.480 379 M N 3.182 122.937 119.600 0.258 0.000 2.266 379 M HA 0.076 4.556 4.480 -0.000 0.000 0.340 379 M C -1.548 174.951 176.300 0.330 0.000 1.486 379 M CA 0.212 55.705 55.300 0.320 0.000 1.209 379 M CB -0.534 32.209 32.600 0.240 0.000 1.714 379 M HN 0.475 nan 8.290 nan 0.000 0.459 380 Y N 8.311 128.732 120.300 0.202 0.000 2.516 380 Y HA 0.424 4.974 4.550 -0.000 0.000 0.329 380 Y C -2.299 173.692 175.900 0.151 0.000 1.095 380 Y CA -1.840 56.346 58.100 0.144 0.000 1.213 380 Y CB 0.800 39.354 38.460 0.157 0.000 1.109 380 Y HN 0.614 nan 8.280 nan 0.000 0.630 381 P HA -0.192 nan 4.420 nan 0.000 0.220 381 P C 1.318 178.384 177.300 -0.390 0.000 1.148 381 P CA 1.330 64.099 63.100 -0.552 0.000 0.803 381 P CB 0.411 31.597 31.700 -0.857 0.000 0.782 382 K N 0.469 120.530 120.400 -0.566 0.000 2.211 382 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 382 K C 2.211 178.694 176.600 -0.195 0.000 1.047 382 K CA 1.624 57.645 56.287 -0.442 0.000 0.935 382 K CB -1.058 31.078 32.500 -0.607 0.000 0.728 382 K HN 0.062 nan 8.250 nan 0.000 0.452 383 G N 1.381 110.124 108.800 -0.095 0.000 2.432 383 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 383 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 383 G C 1.400 176.194 174.900 -0.178 0.000 1.135 383 G CA 0.608 45.823 45.100 0.191 0.000 0.767 383 G HN 0.304 nan 8.290 nan 0.000 0.550 384 L N -0.137 120.733 121.223 -0.588 0.000 2.017 384 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 384 L C 2.642 179.401 176.870 -0.185 0.000 1.073 384 L CA 2.040 56.496 54.840 -0.640 0.000 0.745 384 L CB -0.545 41.207 42.059 -0.512 0.000 0.894 384 L HN 0.431 nan 8.230 nan 0.000 0.432 385 H N 0.154 119.125 119.070 -0.165 0.000 2.319 385 H HA -0.220 4.336 4.556 -0.000 0.000 0.299 385 H C 1.650 176.962 175.328 -0.026 0.000 1.092 385 H CA 2.166 58.170 56.048 -0.073 0.000 1.302 385 H CB -0.013 29.703 29.762 -0.077 0.000 1.373 385 H HN 0.404 nan 8.280 nan 0.000 0.497 386 D N 0.766 121.136 120.400 -0.050 0.000 2.104 386 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 386 D C 2.552 178.821 176.300 -0.053 0.000 0.994 386 D CA 1.258 55.232 54.000 -0.044 0.000 0.830 386 D CB -0.422 40.451 40.800 0.122 0.000 0.959 386 D HN 0.473 nan 8.370 nan 0.000 0.452 387 I N 0.382 120.944 120.570 -0.014 0.000 2.226 387 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 387 I C 2.370 178.494 176.117 0.013 0.000 1.100 387 I CA 0.666 61.988 61.300 0.038 0.000 1.374 387 I CB -0.076 37.960 38.000 0.060 0.000 1.057 387 I HN -0.037 nan 8.210 nan 0.000 0.413 388 L N -0.618 120.577 121.223 -0.047 0.000 2.156 388 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 388 L C 2.556 179.395 176.870 -0.052 0.000 1.095 388 L CA 0.740 55.565 54.840 -0.025 0.000 0.770 388 L CB -0.408 41.642 42.059 -0.014 0.000 0.914 388 L HN 0.267 nan 8.230 nan 0.000 0.439 389 M N -0.793 118.710 119.600 -0.162 0.000 2.175 389 M HA -0.140 4.340 4.480 -0.000 0.000 0.264 389 M C 2.346 178.625 176.300 -0.035 0.000 1.063 389 M CA 1.698 56.916 55.300 -0.136 0.000 1.119 389 M CB -1.470 30.977 32.600 -0.257 0.000 1.377 389 M HN 0.178 nan 8.290 nan 0.000 0.415 390 T N 0.940 115.495 114.554 0.001 0.000 2.708 390 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 390 T C 1.944 176.721 174.700 0.128 0.000 1.037 390 T CA 1.185 63.321 62.100 0.061 0.000 1.146 390 T CB -0.043 68.897 68.868 0.120 0.000 0.865 390 T HN 0.205 nan 8.240 nan 0.000 0.435 391 M N 1.041 120.735 119.600 0.158 0.000 2.117 391 M HA -0.038 4.442 4.480 -0.000 0.000 0.262 391 M C 2.245 178.635 176.300 0.150 0.000 1.065 391 M CA 1.508 56.933 55.300 0.208 0.000 1.114 391 M CB -0.972 31.708 32.600 0.132 0.000 1.361 391 M HN 0.224 nan 8.290 nan 0.000 0.408 392 K N 0.103 120.553 120.400 0.083 0.000 2.025 392 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 392 K C 1.574 178.203 176.600 0.048 0.000 1.049 392 K CA 1.429 57.753 56.287 0.062 0.000 0.933 392 K CB 0.103 32.624 32.500 0.034 0.000 0.714 392 K HN 0.265 nan 8.250 nan 0.000 0.438 393 N N 0.268 118.981 118.700 0.022 0.000 2.409 393 N HA -0.063 4.677 4.740 -0.000 0.000 0.174 393 N C 1.405 176.890 175.510 -0.041 0.000 1.037 393 N CA 0.786 53.834 53.050 -0.003 0.000 0.898 393 N CB 0.298 38.779 38.487 -0.010 0.000 1.010 393 N HN 0.244 nan 8.380 nan 0.000 0.445 394 K N -0.594 119.751 120.400 -0.092 0.000 2.214 394 K HA 0.078 4.398 4.320 -0.000 0.000 0.201 394 K C 0.224 176.636 176.600 -0.314 0.000 1.049 394 K CA 0.482 56.602 56.287 -0.278 0.000 0.978 394 K CB 0.233 32.438 32.500 -0.492 0.000 0.842 394 K HN -0.018 nan 8.250 nan 0.000 0.474 395 Y N -0.131 120.202 120.300 0.054 0.000 2.681 395 Y HA 0.307 4.857 4.550 0.000 0.000 0.267 395 Y C 0.798 176.745 175.900 0.079 0.000 1.166 395 Y CA -0.030 58.107 58.100 0.063 0.000 1.209 395 Y CB 1.251 39.739 38.460 0.047 0.000 1.161 395 Y HN 0.355 nan 8.280 nan 0.000 0.534 396 G N 0.821 109.723 108.800 0.170 0.000 2.176 396 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.253 396 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.253 396 G C 0.359 175.342 174.900 0.138 0.000 0.979 396 G CA 0.076 45.263 45.100 0.145 0.000 0.641 396 G HN 0.438 nan 8.290 nan 0.000 0.530 397 N N -0.390 118.393 118.700 0.139 0.000 2.708 397 N HA -0.116 4.624 4.740 -0.000 0.000 0.255 397 N C -1.307 174.280 175.510 0.129 0.000 1.046 397 N CA 1.221 54.340 53.050 0.116 0.000 0.715 397 N CB -0.419 38.119 38.487 0.086 0.000 0.895 397 N HN 0.638 nan 8.380 nan 0.000 0.545 398 P HA 0.289 nan 4.420 nan 0.000 0.274 398 P C -2.653 174.735 177.300 0.147 0.000 1.246 398 P CA -1.086 62.138 63.100 0.207 0.000 0.795 398 P CB 0.080 31.962 31.700 0.303 0.000 1.006 399 P HA 0.186 nan 4.420 nan 0.000 0.264 399 P C -0.295 177.051 177.300 0.076 0.000 1.193 399 P CA 0.938 64.091 63.100 0.089 0.000 0.763 399 P CB 0.185 31.970 31.700 0.142 0.000 0.810 400 M N 3.010 122.566 119.600 -0.073 0.000 2.572 400 M HA 0.473 4.953 4.480 -0.000 0.000 0.299 400 M C -1.089 175.023 176.300 -0.313 0.000 1.205 400 M CA -0.602 54.675 55.300 -0.038 0.000 0.876 400 M CB 2.130 34.742 32.600 0.021 0.000 1.728 400 M HN 0.229 nan 8.290 nan 0.000 0.458 401 Y N 1.480 121.825 120.300 0.076 0.000 2.477 401 Y HA 0.464 5.014 4.550 -0.000 0.000 0.347 401 Y C -0.328 175.625 175.900 0.090 0.000 0.981 401 Y CA -1.039 57.099 58.100 0.063 0.000 1.033 401 Y CB 1.489 40.006 38.460 0.095 0.000 1.245 401 Y HN 0.400 nan 8.280 nan 0.000 0.455 402 I N 3.257 123.968 120.570 0.234 0.000 2.311 402 I HA 0.036 4.205 4.170 -0.000 0.000 0.297 402 I C 1.198 177.420 176.117 0.174 0.000 1.131 402 I CA 0.059 61.470 61.300 0.186 0.000 1.289 402 I CB -0.270 37.870 38.000 0.234 0.000 1.446 402 I HN 0.792 nan 8.210 nan 0.000 0.524 403 T N 2.209 116.827 114.554 0.107 0.000 3.067 403 T HA 0.160 4.509 4.350 -0.000 0.000 0.261 403 T C 0.588 175.280 174.700 -0.012 0.000 1.110 403 T CA 0.334 62.421 62.100 -0.021 0.000 1.113 403 T CB 0.221 69.012 68.868 -0.129 0.000 0.917 403 T HN 0.551 nan 8.240 nan 0.000 0.499 404 E N 0.781 120.971 120.200 -0.017 0.000 2.321 404 E HA 0.460 4.810 4.350 -0.000 0.000 0.278 404 E C -1.380 175.093 176.600 -0.211 0.000 0.902 404 E CA -0.756 55.636 56.400 -0.013 0.000 0.758 404 E CB 1.922 31.614 29.700 -0.013 0.000 1.213 404 E HN 0.216 nan 8.360 nan 0.000 0.426 405 N N 1.739 120.340 118.700 -0.164 0.000 2.493 405 N HA 0.549 5.288 4.740 -0.000 0.000 0.279 405 N C -1.198 174.386 175.510 0.123 0.000 1.082 405 N CA -0.207 52.740 53.050 -0.172 0.000 0.963 405 N CB 2.030 40.545 38.487 0.046 0.000 1.627 405 N HN 0.675 nan 8.380 nan 0.000 0.499 406 G N 1.228 110.126 108.800 0.163 0.000 2.321 406 G HA2 0.535 4.495 3.960 -0.000 0.000 0.296 406 G HA3 0.535 4.495 3.960 -0.000 0.000 0.296 406 G C -1.823 173.007 174.900 -0.116 0.000 1.287 406 G CA -0.567 44.641 45.100 0.180 0.000 0.846 406 G HN 0.648 nan 8.290 nan 0.000 0.508 407 M N -1.340 118.085 119.600 -0.292 0.000 2.833 407 M HA 0.756 5.235 4.480 -0.000 0.000 0.270 407 M C -0.274 175.268 176.300 -1.264 0.000 1.209 407 M CA -0.414 54.469 55.300 -0.695 0.000 0.826 407 M CB 1.262 33.330 32.600 -0.887 0.000 1.657 407 M HN 1.391 nan 8.290 nan 0.000 0.492 408 G N -0.227 107.686 108.800 -1.477 0.000 2.416 408 G HA2 0.689 4.649 3.960 -0.000 0.000 0.329 408 G HA3 0.689 4.649 3.960 -0.000 0.000 0.329 408 G C -1.656 172.903 174.900 -0.567 0.000 1.173 408 G CA -0.508 43.786 45.100 -1.345 0.000 0.929 408 G HN 0.667 nan 8.290 nan 0.000 0.475 409 D N 1.346 121.531 120.400 -0.359 0.000 2.225 409 D HA 0.228 4.868 4.640 -0.000 0.000 0.248 409 D C 0.568 176.807 176.300 -0.102 0.000 1.096 409 D CA -0.256 53.632 54.000 -0.188 0.000 0.863 409 D CB 2.051 42.780 40.800 -0.118 0.000 1.156 409 D HN 0.003 nan 8.370 nan 0.000 0.450 410 I N 1.932 122.463 120.570 -0.066 0.000 2.588 410 I HA 0.032 4.202 4.170 -0.000 0.000 0.283 410 I C 0.553 176.681 176.117 0.017 0.000 1.119 410 I CA 0.281 61.574 61.300 -0.011 0.000 1.419 410 I CB 0.287 38.285 38.000 -0.003 0.000 1.394 410 I HN 0.297 nan 8.210 nan 0.000 0.562 411 D N 5.704 126.130 120.400 0.044 0.000 2.358 411 D HA 0.201 4.841 4.640 -0.000 0.000 0.253 411 D C 0.181 176.521 176.300 0.066 0.000 1.288 411 D CA -0.458 53.579 54.000 0.061 0.000 0.950 411 D CB 0.797 41.647 40.800 0.082 0.000 1.197 411 D HN 0.334 nan 8.370 nan 0.000 0.550 412 K N 1.180 121.613 120.400 0.055 0.000 2.522 412 K HA 0.338 4.658 4.320 -0.000 0.000 0.194 412 K C 1.187 177.821 176.600 0.056 0.000 1.026 412 K CA 0.487 56.807 56.287 0.055 0.000 1.119 412 K CB 0.443 32.969 32.500 0.044 0.000 0.856 412 K HN 0.610 nan 8.250 nan 0.000 0.513 413 G N 0.141 108.977 108.800 0.061 0.000 2.296 413 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.188 413 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.188 413 G C 0.496 175.426 174.900 0.050 0.000 1.000 413 G CA 0.028 45.162 45.100 0.057 0.000 0.672 413 G HN 0.307 nan 8.290 nan 0.000 0.483 414 D N -0.063 120.366 120.400 0.049 0.000 2.454 414 D HA 0.211 4.851 4.640 -0.000 0.000 0.219 414 D C 1.414 177.743 176.300 0.048 0.000 1.081 414 D CA -0.297 53.729 54.000 0.042 0.000 0.867 414 D CB 0.284 41.104 40.800 0.033 0.000 1.054 414 D HN 0.339 nan 8.370 nan 0.000 0.500 415 L N 3.103 124.362 121.223 0.059 0.000 2.737 415 L HA -0.030 4.309 4.340 -0.000 0.000 0.279 415 L C -1.991 174.912 176.870 0.056 0.000 1.200 415 L CA -0.511 54.365 54.840 0.060 0.000 0.952 415 L CB 0.252 42.361 42.059 0.085 0.000 1.240 415 L HN -0.167 nan 8.230 nan 0.000 0.486 416 P HA 0.021 nan 4.420 nan 0.000 0.265 416 P C 0.227 177.494 177.300 -0.054 0.000 1.193 416 P CA -0.098 62.999 63.100 -0.005 0.000 0.765 416 P CB 0.553 32.245 31.700 -0.014 0.000 0.823 417 K N 4.344 124.681 120.400 -0.106 0.000 2.074 417 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 417 K C -0.878 175.531 176.600 -0.317 0.000 1.048 417 K CA 1.861 57.941 56.287 -0.345 0.000 0.926 417 K CB -1.715 30.579 32.500 -0.343 0.000 0.713 417 K HN 0.462 nan 8.250 nan 0.000 0.444 418 P HA -0.093 nan 4.420 nan 0.000 0.218 418 P C 1.542 178.787 177.300 -0.093 0.000 1.149 418 P CA 0.846 63.871 63.100 -0.124 0.000 0.817 418 P CB 0.055 31.711 31.700 -0.074 0.000 0.785 419 V N 0.251 120.122 119.914 -0.071 0.000 2.379 419 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 419 V C 2.519 178.593 176.094 -0.033 0.000 1.044 419 V CA 2.006 64.289 62.300 -0.029 0.000 1.036 419 V CB -1.693 30.127 31.823 -0.005 0.000 0.664 419 V HN 0.079 nan 8.190 nan 0.000 0.453 420 A N -0.147 122.633 122.820 -0.067 0.000 1.940 420 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 420 A C 2.186 179.734 177.584 -0.060 0.000 1.176 420 A CA 1.708 53.723 52.037 -0.036 0.000 0.631 420 A CB -0.540 18.474 19.000 0.022 0.000 0.814 420 A HN 0.516 nan 8.150 nan 0.000 0.446 421 L N -0.610 120.526 121.223 -0.145 0.000 2.217 421 L HA -0.045 4.295 4.340 -0.000 0.000 0.211 421 L C 0.635 177.488 176.870 -0.028 0.000 1.107 421 L CA 0.524 55.305 54.840 -0.097 0.000 0.783 421 L CB -0.278 41.697 42.059 -0.139 0.000 0.919 421 L HN 0.242 nan 8.230 nan 0.000 0.442 422 E N 1.656 121.849 120.200 -0.011 0.000 2.122 422 E HA 0.033 4.383 4.350 -0.000 0.000 0.288 422 E C -0.499 176.144 176.600 0.072 0.000 1.260 422 E CA -0.080 56.343 56.400 0.038 0.000 1.344 422 E CB -0.133 29.596 29.700 0.049 0.000 1.337 422 E HN 0.303 nan 8.360 nan 0.000 0.484 423 D N 0.923 121.332 120.400 0.016 0.000 2.741 423 D HA -0.057 4.583 4.640 -0.000 0.000 0.233 423 D C 1.330 177.573 176.300 -0.095 0.000 1.160 423 D CA -0.362 53.598 54.000 -0.066 0.000 1.003 423 D CB -0.271 40.492 40.800 -0.061 0.000 1.064 423 D HN 0.347 nan 8.370 nan 0.000 0.503 424 H N -0.011 119.038 119.070 -0.035 0.000 2.352 424 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 424 H C 0.719 176.021 175.328 -0.043 0.000 1.097 424 H CA 1.463 57.484 56.048 -0.046 0.000 1.311 424 H CB -0.882 28.855 29.762 -0.041 0.000 1.377 424 H HN 0.150 nan 8.280 nan 0.000 0.504 425 T N 1.343 115.553 114.554 -0.574 0.000 2.708 425 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 425 T C 2.146 176.779 174.700 -0.111 0.000 1.037 425 T CA 1.695 63.626 62.100 -0.283 0.000 1.146 425 T CB -0.200 68.458 68.868 -0.350 0.000 0.865 425 T HN 0.396 nan 8.240 nan 0.000 0.435 426 R N 0.401 120.814 120.500 -0.145 0.000 2.081 426 R HA -0.073 4.267 4.340 -0.000 0.000 0.235 426 R C 2.384 178.687 176.300 0.005 0.000 1.131 426 R CA 1.164 57.224 56.100 -0.066 0.000 0.960 426 R CB -0.481 29.765 30.300 -0.090 0.000 0.856 426 R HN 0.274 nan 8.270 nan 0.000 0.436 427 L N 1.387 122.577 121.223 -0.055 0.000 2.017 427 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 427 L C 1.729 178.484 176.870 -0.192 0.000 1.073 427 L CA 2.374 57.133 54.840 -0.136 0.000 0.745 427 L CB -0.844 41.118 42.059 -0.162 0.000 0.894 427 L HN 0.245 nan 8.230 nan 0.000 0.432 428 D N -2.005 118.330 120.400 -0.108 0.000 2.117 428 D HA -0.320 4.320 4.640 -0.000 0.000 0.197 428 D C 2.168 178.464 176.300 -0.007 0.000 0.987 428 D CA 1.567 55.511 54.000 -0.093 0.000 0.829 428 D CB -0.337 40.447 40.800 -0.027 0.000 0.961 428 D HN 0.494 nan 8.370 nan 0.000 0.460 429 Y N 0.714 120.998 120.300 -0.026 0.000 2.128 429 Y HA -0.137 4.412 4.550 -0.000 0.000 0.284 429 Y C 2.067 178.077 175.900 0.184 0.000 1.154 429 Y CA 1.685 59.852 58.100 0.111 0.000 1.149 429 Y CB -0.308 38.194 38.460 0.071 0.000 0.976 429 Y HN 0.056 nan 8.280 nan 0.000 0.505 430 I N -0.040 120.692 120.570 0.270 0.000 2.252 430 I HA -0.340 3.830 4.170 -0.000 0.000 0.245 430 I C 2.382 178.458 176.117 -0.068 0.000 1.102 430 I CA 1.621 63.021 61.300 0.168 0.000 1.385 430 I CB -0.495 37.581 38.000 0.126 0.000 1.064 430 I HN 0.327 nan 8.210 nan 0.000 0.414 431 Q N 0.297 119.944 119.800 -0.255 0.000 2.084 431 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 431 Q C 2.377 178.274 176.000 -0.172 0.000 0.978 431 Q CA 1.397 56.982 55.803 -0.363 0.000 0.844 431 Q CB -0.087 28.323 28.738 -0.547 0.000 0.898 431 Q HN 0.426 nan 8.270 nan 0.000 0.426 432 R N -0.683 119.731 120.500 -0.143 0.000 2.092 432 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 432 R C 1.847 178.023 176.300 -0.207 0.000 1.119 432 R CA 1.239 57.237 56.100 -0.169 0.000 0.970 432 R CB -0.117 30.052 30.300 -0.219 0.000 0.864 432 R HN 0.400 nan 8.270 nan 0.000 0.440 433 H N 0.181 119.162 119.070 -0.149 0.000 2.428 433 H HA 0.008 4.564 4.556 -0.000 0.000 0.296 433 H C 1.957 177.282 175.328 -0.005 0.000 1.062 433 H CA 1.043 57.047 56.048 -0.072 0.000 1.350 433 H CB 0.030 29.769 29.762 -0.038 0.000 1.403 433 H HN 0.050 nan 8.280 nan 0.000 0.533 434 L N -0.732 120.514 121.223 0.038 0.000 2.093 434 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 434 L C 2.568 179.618 176.870 0.300 0.000 1.085 434 L CA 1.246 56.141 54.840 0.092 0.000 0.755 434 L CB -0.388 41.648 42.059 -0.040 0.000 0.904 434 L HN 0.268 nan 8.230 nan 0.000 0.435 435 S N -0.378 115.439 115.700 0.196 0.000 2.356 435 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 435 S C 1.954 176.639 174.600 0.142 0.000 1.032 435 S CA 1.324 59.688 58.200 0.274 0.000 1.005 435 S CB -0.107 63.203 63.200 0.183 0.000 0.867 435 S HN 0.187 nan 8.310 nan 0.000 0.449 436 V N 2.021 121.961 119.914 0.044 0.000 2.407 436 V HA -0.095 4.025 4.120 -0.000 0.000 0.248 436 V C 2.373 178.523 176.094 0.092 0.000 1.055 436 V CA 1.567 63.869 62.300 0.005 0.000 1.049 436 V CB -0.591 31.180 31.823 -0.087 0.000 0.662 436 V HN 0.499 nan 8.190 nan 0.000 0.455 437 L N 0.134 121.461 121.223 0.172 0.000 2.046 437 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 437 L C 2.659 179.664 176.870 0.226 0.000 1.077 437 L CA 2.101 57.091 54.840 0.250 0.000 0.747 437 L CB -0.346 41.933 42.059 0.366 0.000 0.896 437 L HN 0.359 nan 8.230 nan 0.000 0.432 438 K N 0.283 120.794 120.400 0.186 0.000 2.063 438 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 438 K C 1.974 178.531 176.600 -0.072 0.000 1.048 438 K CA 1.733 57.971 56.287 -0.082 0.000 0.928 438 K CB -0.243 32.182 32.500 -0.125 0.000 0.713 438 K HN 0.372 nan 8.250 nan 0.000 0.442 439 Q N -0.226 119.558 119.800 -0.028 0.000 2.084 439 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 439 Q C 2.173 178.199 176.000 0.043 0.000 0.978 439 Q CA 1.846 57.627 55.803 -0.037 0.000 0.844 439 Q CB -0.062 28.641 28.738 -0.058 0.000 0.898 439 Q HN 0.318 nan 8.270 nan 0.000 0.426 440 S N 0.777 116.544 115.700 0.112 0.000 2.368 440 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 440 S C 1.939 176.593 174.600 0.090 0.000 1.029 440 S CA 0.883 59.167 58.200 0.140 0.000 0.988 440 S CB -0.140 63.142 63.200 0.138 0.000 0.838 440 S HN 0.279 nan 8.310 nan 0.000 0.462 441 I N 1.700 122.320 120.570 0.083 0.000 2.315 441 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 441 I C 1.848 177.979 176.117 0.024 0.000 1.117 441 I CA 1.032 62.376 61.300 0.073 0.000 1.404 441 I CB -0.341 37.713 38.000 0.090 0.000 1.071 441 I HN 0.138 nan 8.210 nan 0.000 0.419 442 D N 0.798 121.187 120.400 -0.018 0.000 2.178 442 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 442 D C 2.011 178.306 176.300 -0.007 0.000 0.980 442 D CA 1.194 55.170 54.000 -0.039 0.000 0.842 442 D CB -0.122 40.626 40.800 -0.088 0.000 0.948 442 D HN 0.303 nan 8.370 nan 0.000 0.472 443 L N -0.771 120.464 121.223 0.020 0.000 2.627 443 L HA 0.180 4.520 4.340 -0.000 0.000 0.233 443 L C 1.457 178.349 176.870 0.036 0.000 1.144 443 L CA 0.383 55.245 54.840 0.036 0.000 0.892 443 L CB 0.073 42.177 42.059 0.074 0.000 1.039 443 L HN 0.151 nan 8.230 nan 0.000 0.442 444 G N -0.642 108.180 108.800 0.037 0.000 2.179 444 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 444 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 444 G C 0.381 175.312 174.900 0.051 0.000 0.990 444 G CA -0.180 44.944 45.100 0.040 0.000 0.646 444 G HN 0.439 nan 8.290 nan 0.000 0.517 445 A N 0.382 123.236 122.820 0.057 0.000 2.488 445 A HA 0.499 4.819 4.320 -0.000 0.000 0.249 445 A C 0.491 178.123 177.584 0.079 0.000 1.083 445 A CA 0.705 52.781 52.037 0.064 0.000 0.768 445 A CB 0.361 19.398 19.000 0.062 0.000 1.017 445 A HN 0.326 nan 8.150 nan 0.000 0.496 446 D N 2.802 123.244 120.400 0.069 0.000 2.845 446 D HA 0.289 4.929 4.640 -0.000 0.000 0.235 446 D C -0.427 175.889 176.300 0.026 0.000 1.158 446 D CA 0.148 54.184 54.000 0.060 0.000 0.990 446 D CB -0.376 40.458 40.800 0.056 0.000 1.094 446 D HN 0.125 nan 8.370 nan 0.000 0.486 447 V N 2.655 122.614 119.914 0.075 0.000 2.439 447 V HA 0.369 4.489 4.120 -0.000 0.000 0.282 447 V C 1.420 177.527 176.094 0.022 0.000 1.039 447 V CA -0.445 61.878 62.300 0.039 0.000 0.913 447 V CB 1.765 33.706 31.823 0.196 0.000 0.983 447 V HN 0.273 nan 8.190 nan 0.000 0.460 448 R N 2.474 122.694 120.500 -0.467 0.000 2.509 448 R HA 0.461 4.801 4.340 -0.000 0.000 0.297 448 R C 0.513 176.040 176.300 -1.288 0.000 0.951 448 R CA 0.234 55.936 56.100 -0.663 0.000 1.103 448 R CB 1.473 31.406 30.300 -0.612 0.000 1.283 448 R HN 0.854 nan 8.270 nan 0.000 0.534 449 G N 0.184 108.140 108.800 -1.406 0.000 2.489 449 G HA2 0.304 4.264 3.960 -0.000 0.000 0.291 449 G HA3 0.304 4.264 3.960 -0.000 0.000 0.291 449 G C -2.405 172.188 174.900 -0.512 0.000 1.487 449 G CA -0.534 43.795 45.100 -1.286 0.000 0.795 449 G HN 0.055 nan 8.290 nan 0.000 0.513 450 Y N 0.087 120.008 120.300 -0.631 0.000 2.396 450 Y HA 0.743 5.293 4.550 -0.000 0.000 0.332 450 Y C -1.894 173.836 175.900 -0.284 0.000 1.034 450 Y CA -1.467 56.515 58.100 -0.196 0.000 1.057 450 Y CB 1.739 40.171 38.460 -0.047 0.000 1.220 450 Y HN 0.439 nan 8.280 nan 0.000 0.440 451 F N 5.086 124.739 119.950 -0.496 0.000 2.460 451 F HA 0.704 5.231 4.527 -0.000 0.000 0.341 451 F C 0.270 175.816 175.800 -0.423 0.000 1.130 451 F CA -0.835 56.990 58.000 -0.291 0.000 0.962 451 F CB 1.638 40.545 39.000 -0.155 0.000 1.171 451 F HN 0.706 nan 8.300 nan 0.000 0.436 452 A N 4.299 127.091 122.820 -0.047 0.000 2.488 452 A HA 0.105 4.425 4.320 -0.000 0.000 0.249 452 A C -0.753 176.941 177.584 0.184 0.000 1.083 452 A CA -0.344 51.736 52.037 0.072 0.000 0.768 452 A CB 0.254 19.392 19.000 0.229 0.000 1.017 452 A HN 0.872 nan 8.150 nan 0.000 0.496 453 W N 3.870 125.219 121.300 0.081 0.000 2.308 453 W HA 0.513 5.173 4.660 -0.000 0.000 0.311 453 W C -0.430 176.227 176.519 0.229 0.000 1.088 453 W CA -0.158 57.276 57.345 0.149 0.000 1.309 453 W CB 1.389 30.965 29.460 0.192 0.000 1.229 453 W HN 0.702 nan 8.180 nan 0.000 0.427 454 S N 5.083 120.601 115.700 -0.303 0.000 2.632 454 S HA 0.299 4.769 4.470 -0.000 0.000 0.289 454 S C 0.734 175.157 174.600 -0.296 0.000 1.115 454 S CA -0.820 56.917 58.200 -0.772 0.000 0.889 454 S CB 1.690 64.014 63.200 -1.460 0.000 1.116 454 S HN 0.615 nan 8.310 nan 0.000 0.486 455 L N 1.590 122.686 121.223 -0.211 0.000 2.043 455 L HA 0.085 4.425 4.340 -0.000 0.000 0.212 455 L C -0.367 176.438 176.870 -0.108 0.000 1.075 455 L CA 1.517 56.306 54.840 -0.086 0.000 0.752 455 L CB -0.159 41.882 42.059 -0.030 0.000 0.891 455 L HN 0.564 nan 8.230 nan 0.000 0.432 456 L N -0.433 120.686 121.223 -0.173 0.000 2.381 456 L HA 0.335 4.675 4.340 -0.000 0.000 0.268 456 L C -0.761 176.034 176.870 -0.125 0.000 0.997 456 L CA -1.165 53.601 54.840 -0.123 0.000 0.818 456 L CB 1.726 43.721 42.059 -0.106 0.000 1.310 456 L HN -0.159 nan 8.230 nan 0.000 0.416 457 D N 2.944 123.303 120.400 -0.069 0.000 2.488 457 D HA 0.112 4.752 4.640 -0.000 0.000 0.238 457 D C -0.387 175.905 176.300 -0.014 0.000 1.138 457 D CA 0.644 54.627 54.000 -0.027 0.000 0.873 457 D CB 0.460 41.219 40.800 -0.069 0.000 1.183 457 D HN 0.675 nan 8.370 nan 0.000 0.458 458 N N 0.223 118.942 118.700 0.032 0.000 3.344 458 N HA 0.214 4.954 4.740 -0.000 0.000 0.296 458 N C -1.088 174.431 175.510 0.016 0.000 1.571 458 N CA -0.788 52.280 53.050 0.031 0.000 0.844 458 N CB 0.595 39.014 38.487 -0.113 0.000 1.718 458 N HN 0.183 nan 8.380 nan 0.000 0.589 459 F N 1.642 121.400 119.950 -0.320 0.000 2.462 459 F HA 0.174 4.701 4.527 -0.000 0.000 0.360 459 F C 0.686 176.094 175.800 -0.654 0.000 1.134 459 F CA -0.356 57.230 58.000 -0.690 0.000 1.148 459 F CB 0.383 38.995 39.000 -0.647 0.000 1.147 459 F HN 0.572 nan 8.300 nan 0.000 0.550 460 E N 7.272 126.978 120.200 -0.823 0.000 2.261 460 E HA 0.156 4.506 4.350 -0.000 0.000 0.308 460 E C -0.105 176.121 176.600 -0.622 0.000 1.400 460 E CA -0.005 56.027 56.400 -0.613 0.000 1.542 460 E CB -0.556 29.047 29.700 -0.161 0.000 1.369 460 E HN 0.711 nan 8.360 nan 0.000 0.493 461 W N 0.486 121.342 121.300 -0.741 0.000 2.047 461 W HA -0.458 4.202 4.660 -0.000 0.000 0.283 461 W C 1.872 178.196 176.519 -0.325 0.000 1.201 461 W CA 1.116 58.150 57.345 -0.519 0.000 1.140 461 W CB -1.645 27.730 29.460 -0.141 0.000 0.885 461 W HN 0.227 nan 8.180 nan 0.000 0.538 462 S N -0.070 115.880 115.700 0.416 0.000 2.555 462 S HA -0.046 4.424 4.470 -0.000 0.000 0.230 462 S C 1.233 175.932 174.600 0.165 0.000 0.978 462 S CA 1.115 59.546 58.200 0.384 0.000 0.934 462 S CB -0.310 63.168 63.200 0.464 0.000 0.766 462 S HN 0.359 nan 8.310 nan 0.000 0.533 463 S N 0.775 116.502 115.700 0.044 0.000 2.603 463 S HA 0.329 4.799 4.470 -0.000 0.000 0.220 463 S C 1.579 176.097 174.600 -0.136 0.000 0.967 463 S CA 0.264 58.470 58.200 0.010 0.000 0.920 463 S CB -0.278 62.972 63.200 0.083 0.000 0.773 463 S HN 0.724 nan 8.310 nan 0.000 0.529 464 G N 1.614 110.146 108.800 -0.446 0.000 2.596 464 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.295 464 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.295 464 G C 0.193 174.722 174.900 -0.619 0.000 1.240 464 G CA 0.719 45.429 45.100 -0.649 0.000 0.985 464 G HN 0.513 nan 8.290 nan 0.000 0.555 465 Y N 1.839 122.150 120.300 0.018 0.000 2.470 465 Y HA 0.283 4.833 4.550 -0.000 0.000 0.284 465 Y C 2.843 178.763 175.900 0.034 0.000 1.188 465 Y CA 1.117 59.237 58.100 0.033 0.000 1.269 465 Y CB 0.135 38.634 38.460 0.065 0.000 1.094 465 Y HN 0.650 nan 8.280 nan 0.000 0.518 466 T N -2.700 111.919 114.554 0.109 0.000 3.113 466 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 466 T C 0.344 175.098 174.700 0.089 0.000 1.143 466 T CA 0.420 62.580 62.100 0.100 0.000 1.090 466 T CB -0.156 68.763 68.868 0.084 0.000 0.922 466 T HN 0.279 nan 8.240 nan 0.000 0.521 467 E N 0.882 121.146 120.200 0.106 0.000 2.218 467 E HA 0.414 4.763 4.350 -0.000 0.000 0.263 467 E C -0.904 175.802 176.600 0.178 0.000 0.879 467 E CA -0.681 55.795 56.400 0.126 0.000 0.762 467 E CB 1.753 31.602 29.700 0.247 0.000 1.166 467 E HN 0.246 nan 8.360 nan 0.000 0.415 468 R N 2.713 123.260 120.500 0.078 0.000 2.198 468 R HA 0.265 4.605 4.340 -0.000 0.000 0.339 468 R C -0.194 176.124 176.300 0.030 0.000 1.020 468 R CA -0.219 55.937 56.100 0.093 0.000 0.864 468 R CB 0.479 30.812 30.300 0.056 0.000 1.105 468 R HN 0.532 nan 8.270 nan 0.000 0.463 469 F N 0.449 120.402 119.950 0.005 0.000 2.695 469 F HA 0.214 4.740 4.527 -0.000 0.000 0.303 469 F C 1.644 177.411 175.800 -0.055 0.000 1.091 469 F CA -0.253 57.758 58.000 0.018 0.000 1.300 469 F CB 0.687 39.784 39.000 0.161 0.000 1.071 469 F HN 0.562 nan 8.300 nan 0.000 0.578 470 G N 0.851 109.698 108.800 0.078 0.000 2.503 470 G HA2 0.318 4.278 3.960 -0.000 0.000 0.257 470 G HA3 0.318 4.278 3.960 -0.000 0.000 0.257 470 G C 1.144 176.059 174.900 0.024 0.000 1.214 470 G CA -0.435 44.665 45.100 -0.000 0.000 0.839 470 G HN 0.407 nan 8.290 nan 0.000 0.559 471 I N -0.979 119.604 120.570 0.021 0.000 3.251 471 I HA 0.208 4.378 4.170 -0.000 0.000 0.277 471 I C -0.204 175.941 176.117 0.047 0.000 1.268 471 I CA 0.093 61.421 61.300 0.047 0.000 1.449 471 I CB -0.089 37.951 38.000 0.067 0.000 1.083 471 I HN -0.006 nan 8.210 nan 0.000 0.464 472 V N 1.281 121.214 119.914 0.032 0.000 2.487 472 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 472 V C -0.749 175.390 176.094 0.075 0.000 1.028 472 V CA -0.734 61.594 62.300 0.047 0.000 0.860 472 V CB 1.460 33.286 31.823 0.004 0.000 0.991 472 V HN 0.185 nan 8.190 nan 0.000 0.427 473 Y N 4.930 125.221 120.300 -0.015 0.000 2.425 473 Y HA 0.454 5.004 4.550 -0.000 0.000 0.331 473 Y C -0.113 175.778 175.900 -0.015 0.000 1.157 473 Y CA 0.158 58.251 58.100 -0.011 0.000 1.372 473 Y CB 1.110 39.564 38.460 -0.010 0.000 1.253 473 Y HN 0.395 nan 8.280 nan 0.000 0.536 474 V N 6.664 126.268 119.914 -0.518 0.000 2.409 474 V HA 0.158 4.278 4.120 -0.000 0.000 0.291 474 V C -0.749 174.977 176.094 -0.614 0.000 1.020 474 V CA -0.964 61.103 62.300 -0.389 0.000 0.848 474 V CB 1.490 33.178 31.823 -0.225 0.000 0.990 474 V HN 0.695 nan 8.190 nan 0.000 0.430 475 D N 4.208 124.409 120.400 -0.332 0.000 2.456 475 D HA 0.264 4.904 4.640 -0.000 0.000 0.219 475 D C 1.212 177.428 176.300 -0.140 0.000 1.126 475 D CA -0.291 53.593 54.000 -0.194 0.000 0.890 475 D CB 0.809 41.651 40.800 0.069 0.000 1.025 475 D HN 0.414 nan 8.370 nan 0.000 0.511 476 R N 1.887 122.275 120.500 -0.186 0.000 2.189 476 R HA -0.032 4.307 4.340 -0.000 0.000 0.218 476 R C 1.099 177.330 176.300 -0.114 0.000 1.074 476 R CA 0.828 56.823 56.100 -0.175 0.000 0.991 476 R CB 0.400 30.529 30.300 -0.285 0.000 0.883 476 R HN 0.469 nan 8.270 nan 0.000 0.457 477 E N 0.224 120.377 120.200 -0.078 0.000 2.478 477 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 477 E C -0.229 176.354 176.600 -0.028 0.000 1.045 477 E CA 0.273 56.646 56.400 -0.045 0.000 0.868 477 E CB 0.305 29.991 29.700 -0.024 0.000 0.885 477 E HN 0.244 nan 8.360 nan 0.000 0.505 478 N N 0.016 118.701 118.700 -0.024 0.000 2.660 478 N HA 0.181 4.921 4.740 -0.000 0.000 0.316 478 N C -0.088 175.409 175.510 -0.022 0.000 1.774 478 N CA 0.198 53.241 53.050 -0.013 0.000 0.946 478 N CB 1.161 39.654 38.487 0.010 0.000 1.322 478 N HN 0.118 nan 8.380 nan 0.000 0.492 479 G N -0.142 108.638 108.800 -0.034 0.000 2.198 479 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 479 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 479 G C 0.610 175.488 174.900 -0.037 0.000 1.025 479 G CA -0.100 44.979 45.100 -0.035 0.000 0.769 479 G HN 0.572 nan 8.290 nan 0.000 0.507 480 C N -0.697 118.570 119.300 -0.054 0.000 4.331 480 C HA -0.171 4.289 4.460 -0.000 0.000 0.293 480 C C 1.117 176.077 174.990 -0.049 0.000 1.436 480 C CA 0.933 59.911 59.018 -0.067 0.000 1.993 480 C CB -2.238 25.471 27.740 -0.053 0.000 1.266 480 C HN 1.066 nan 8.230 nan 0.000 0.795 481 E N 0.534 120.717 120.200 -0.029 0.000 2.529 481 E HA 0.162 4.512 4.350 -0.000 0.000 0.259 481 E C 0.503 177.108 176.600 0.008 0.000 0.966 481 E CA 0.359 56.756 56.400 -0.006 0.000 0.937 481 E CB 0.502 30.212 29.700 0.016 0.000 0.923 481 E HN 0.490 nan 8.360 nan 0.000 0.468 482 R N 2.399 122.903 120.500 0.007 0.000 2.368 482 R HA 0.407 4.747 4.340 -0.000 0.000 0.302 482 R C -0.896 175.438 176.300 0.057 0.000 1.002 482 R CA -0.235 55.878 56.100 0.022 0.000 0.929 482 R CB 2.098 32.390 30.300 -0.013 0.000 1.073 482 R HN 0.375 nan 8.270 nan 0.000 0.464 483 T N 3.052 117.672 114.554 0.109 0.000 2.928 483 T HA 0.313 4.663 4.350 -0.000 0.000 0.296 483 T C -0.154 174.593 174.700 0.079 0.000 1.000 483 T CA -0.792 61.358 62.100 0.084 0.000 0.989 483 T CB 1.186 70.109 68.868 0.091 0.000 1.005 483 T HN 0.345 nan 8.240 nan 0.000 0.442 484 M N 3.244 122.868 119.600 0.039 0.000 2.260 484 M HA 0.162 4.642 4.480 -0.000 0.000 0.348 484 M C 0.633 176.956 176.300 0.039 0.000 1.342 484 M CA 0.425 55.747 55.300 0.037 0.000 1.040 484 M CB 0.326 32.938 32.600 0.021 0.000 1.810 484 M HN 0.409 nan 8.290 nan 0.000 0.453 485 K N 1.531 121.962 120.400 0.051 0.000 2.179 485 K HA 0.252 4.572 4.320 -0.000 0.000 0.238 485 K C 1.018 177.646 176.600 0.046 0.000 1.033 485 K CA -0.708 55.603 56.287 0.041 0.000 0.926 485 K CB 0.757 33.288 32.500 0.052 0.000 1.151 485 K HN 0.550 nan 8.250 nan 0.000 0.492 486 R N 0.886 121.411 120.500 0.042 0.000 2.105 486 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 486 R C 2.090 178.452 176.300 0.104 0.000 1.135 486 R CA 2.370 58.508 56.100 0.064 0.000 0.967 486 R CB -0.243 30.088 30.300 0.051 0.000 0.861 486 R HN 0.764 nan 8.270 nan 0.000 0.442 487 S N -0.028 115.725 115.700 0.088 0.000 2.368 487 S HA -0.101 4.369 4.470 -0.000 0.000 0.225 487 S C 2.178 176.885 174.600 0.178 0.000 1.030 487 S CA 0.945 59.220 58.200 0.126 0.000 0.999 487 S CB -0.343 62.905 63.200 0.080 0.000 0.844 487 S HN 0.448 nan 8.310 nan 0.000 0.459 488 A N 2.686 125.576 122.820 0.116 0.000 1.902 488 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 488 A C 2.379 180.011 177.584 0.080 0.000 1.181 488 A CA 1.189 53.280 52.037 0.091 0.000 0.623 488 A CB -0.549 18.484 19.000 0.055 0.000 0.818 488 A HN 0.389 nan 8.150 nan 0.000 0.443 489 R N -1.728 118.823 120.500 0.085 0.000 2.096 489 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 489 R C 1.885 178.235 176.300 0.083 0.000 1.127 489 R CA 1.417 57.557 56.100 0.065 0.000 0.968 489 R CB -0.911 29.427 30.300 0.063 0.000 0.861 489 R HN 0.827 nan 8.270 nan 0.000 0.440 490 W N 1.481 122.772 121.300 -0.016 0.000 2.355 490 W HA -0.128 4.532 4.660 -0.000 0.000 0.309 490 W C 1.914 178.422 176.519 -0.018 0.000 1.206 490 W CA 1.247 58.578 57.345 -0.023 0.000 1.284 490 W CB -0.515 28.917 29.460 -0.047 0.000 1.145 490 W HN -0.038 nan 8.180 nan 0.000 0.502 491 L N 0.385 121.600 121.223 -0.013 0.000 2.079 491 L HA -0.304 4.035 4.340 -0.000 0.000 0.210 491 L C 2.766 179.523 176.870 -0.190 0.000 1.081 491 L CA 2.078 56.798 54.840 -0.201 0.000 0.752 491 L CB -1.085 40.979 42.059 0.008 0.000 0.896 491 L HN 0.176 nan 8.230 nan 0.000 0.433 492 Q N 0.234 119.968 119.800 -0.110 0.000 2.061 492 Q HA -0.300 4.040 4.340 -0.000 0.000 0.204 492 Q C 2.135 178.042 176.000 -0.155 0.000 0.984 492 Q CA 2.181 57.925 55.803 -0.098 0.000 0.846 492 Q CB -0.072 28.633 28.738 -0.054 0.000 0.902 492 Q HN 0.537 nan 8.270 nan 0.000 0.421 493 E N -0.556 119.519 120.200 -0.208 0.000 2.051 493 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 493 E C 1.814 178.216 176.600 -0.330 0.000 0.991 493 E CA 1.135 57.392 56.400 -0.238 0.000 0.799 493 E CB -0.358 29.205 29.700 -0.228 0.000 0.748 493 E HN 0.469 nan 8.360 nan 0.000 0.449 494 F N 2.087 121.584 119.950 -0.756 0.000 2.091 494 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 494 F C 1.892 177.368 175.800 -0.541 0.000 1.103 494 F CA 1.854 59.360 58.000 -0.824 0.000 1.228 494 F CB -0.218 37.947 39.000 -1.390 0.000 0.984 494 F HN 0.051 nan 8.300 nan 0.000 0.477 495 N N 0.800 119.331 118.700 -0.282 0.000 2.512 495 N HA 0.082 4.822 4.740 -0.000 0.000 0.183 495 N C 1.091 176.468 175.510 -0.221 0.000 1.073 495 N CA 1.038 53.933 53.050 -0.259 0.000 0.911 495 N CB -0.661 37.767 38.487 -0.099 0.000 0.964 495 N HN 0.521 nan 8.380 nan 0.000 0.447 496 G N 0.000 108.669 108.800 -0.218 0.000 5.446 496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 496 G CA 0.000 45.005 45.100 -0.158 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925