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 2iul_1_A DATA FIRST_RESID 40 DATA SEQUENCE DEAEASKFVE EYDRTSQVVW NEYAEANWNY NTNITTETSK ILLQKNMQIA DATA SEQUENCE QHTLKYGTQA RKFDVNQLQN TTIKRIIKKV QDLERAALPA QELEEYNKIL DATA SEQUENCE LDMETTYSVA TVcHPQGScL QLEPDLTNVM ATSRKYEDLL WAWEGWRDKA DATA SEQUENCE GRAILQFYPK YVELINQAAR LNGYVDAGDS WRSMYETPSL EQDLERLFQE DATA SEQUENCE LQPLYLNLHA YVRRALHRHY GAQHINLEGP IPAHLLGNMW AQTWSNIYDL DATA SEQUENCE VVPFPSAPSM DTTEAMLKQG WTPRRMFKEA DDFFTSLGLL PVPPEFWQKS DATA SEQUENCE MLEKPTDGRE VVcHASAWDF YNGKDFRIKQ cTTVNLEDLV VAHHEMGHIQ DATA SEQUENCE YFMQYKDLPV ALREGANPGF HEAIGDVLAL SVSTPKHLHS LNLLSSXGGS DATA SEQUENCE DEHDINFLMK MALDKIAFIP FSYLVDQWRW RVFDGSITKE NYNQEWWSLR DATA SEQUENCE LKYQGLCPPV PRTQGDFDPG AKFHIPSSVP YIRYFVSFII QFQFHEALcQ DATA SEQUENCE AAGHTGPLHK cDIYQSKEAG QRLATAMKLG FSRPWPEAMQ LITGQPQMSA DATA SEQUENCE SAMLSYFKPL LDWLRTENEL HGEKLGWPQY NWTP 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 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.392 176.300 0.153 0.000 2.045 40 D CA 0.000 54.082 54.000 0.137 0.000 0.868 40 D CB 0.000 40.856 40.800 0.094 0.000 0.688 41 E N 1.515 121.766 120.200 0.084 0.000 2.150 41 E HA 0.084 4.433 4.350 -0.001 0.000 0.193 41 E C 1.756 178.390 176.600 0.057 0.000 0.985 41 E CA 1.623 58.055 56.400 0.053 0.000 0.814 41 E CB -0.051 29.668 29.700 0.031 0.000 0.752 41 E HN 0.276 nan 8.360 nan 0.000 0.466 42 A N 0.440 123.302 122.820 0.071 0.000 1.898 42 A HA -0.111 4.208 4.320 -0.001 0.000 0.214 42 A C 2.013 179.663 177.584 0.110 0.000 1.183 42 A CA 1.312 53.392 52.037 0.072 0.000 0.622 42 A CB -0.411 18.625 19.000 0.060 0.000 0.824 42 A HN 0.240 nan 8.150 nan 0.000 0.444 43 E N -0.104 120.193 120.200 0.161 0.000 2.110 43 E HA -0.136 4.213 4.350 -0.001 0.000 0.193 43 E C 2.301 179.092 176.600 0.319 0.000 0.988 43 E CA 0.908 57.464 56.400 0.261 0.000 0.804 43 E CB -0.254 29.618 29.700 0.287 0.000 0.745 43 E HN 0.610 nan 8.360 nan 0.000 0.458 44 A N 0.789 123.708 122.820 0.164 0.000 1.877 44 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 44 A C 2.303 179.853 177.584 -0.057 0.000 1.186 44 A CA 1.736 53.627 52.037 -0.243 0.000 0.620 44 A CB -0.656 18.163 19.000 -0.303 0.000 0.822 44 A HN 0.184 nan 8.150 nan 0.000 0.443 45 S N -0.720 114.986 115.700 0.010 0.000 2.359 45 S HA -0.207 4.262 4.470 -0.001 0.000 0.224 45 S C 2.132 176.767 174.600 0.059 0.000 1.035 45 S CA 2.015 60.230 58.200 0.025 0.000 1.018 45 S CB -0.292 62.923 63.200 0.026 0.000 0.876 45 S HN 0.615 nan 8.310 nan 0.000 0.448 46 K N -0.412 120.048 120.400 0.101 0.000 2.057 46 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 46 K C 1.916 178.611 176.600 0.158 0.000 1.049 46 K CA 1.609 57.966 56.287 0.117 0.000 0.931 46 K CB -0.433 32.148 32.500 0.135 0.000 0.714 46 K HN 0.407 nan 8.250 nan 0.000 0.440 47 F N 1.038 121.043 119.950 0.091 0.000 2.091 47 F HA -0.247 4.279 4.527 -0.001 0.000 0.299 47 F C 1.766 177.631 175.800 0.108 0.000 1.103 47 F CA 1.518 59.601 58.000 0.139 0.000 1.228 47 F CB -0.490 38.588 39.000 0.130 0.000 0.984 47 F HN -0.179 nan 8.300 nan 0.000 0.477 48 V N 0.583 120.483 119.914 -0.022 0.000 2.343 48 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 48 V C 2.263 178.299 176.094 -0.097 0.000 1.051 48 V CA 2.341 64.579 62.300 -0.104 0.000 1.036 48 V CB -0.695 31.118 31.823 -0.017 0.000 0.654 48 V HN 0.383 nan 8.190 nan 0.000 0.451 49 E N -0.193 119.974 120.200 -0.055 0.000 2.051 49 E HA -0.252 4.098 4.350 -0.001 0.000 0.192 49 E C 2.242 178.783 176.600 -0.099 0.000 0.991 49 E CA 1.590 57.956 56.400 -0.057 0.000 0.799 49 E CB -0.147 29.543 29.700 -0.017 0.000 0.748 49 E HN 0.685 nan 8.360 nan 0.000 0.449 50 E N 0.019 120.167 120.200 -0.087 0.000 2.072 50 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 50 E C 1.910 178.345 176.600 -0.276 0.000 0.985 50 E CA 0.893 57.245 56.400 -0.080 0.000 0.801 50 E CB -0.210 29.538 29.700 0.080 0.000 0.750 50 E HN 0.273 nan 8.360 nan 0.000 0.452 51 Y N 2.193 122.136 120.300 -0.594 0.000 2.114 51 Y HA -0.321 4.228 4.550 -0.001 0.000 0.282 51 Y C 2.015 177.546 175.900 -0.616 0.000 1.165 51 Y CA 2.259 59.828 58.100 -0.884 0.000 1.148 51 Y CB -0.295 37.642 38.460 -0.873 0.000 0.972 51 Y HN 0.014 nan 8.280 nan 0.000 0.504 52 D N -0.651 119.498 120.400 -0.419 0.000 2.097 52 D HA -0.206 4.433 4.640 -0.001 0.000 0.195 52 D C 2.250 178.276 176.300 -0.456 0.000 0.989 52 D CA 1.983 55.723 54.000 -0.433 0.000 0.827 52 D CB -0.220 40.464 40.800 -0.192 0.000 0.966 52 D HN 0.564 nan 8.370 nan 0.000 0.456 53 R N -0.334 119.969 120.500 -0.329 0.000 2.090 53 R HA -0.055 4.284 4.340 -0.001 0.000 0.228 53 R C 2.241 178.344 176.300 -0.329 0.000 1.110 53 R CA 1.775 57.716 56.100 -0.264 0.000 0.973 53 R CB -1.325 28.881 30.300 -0.156 0.000 0.869 53 R HN 0.255 nan 8.270 nan 0.000 0.440 54 T N -1.171 113.147 114.554 -0.394 0.000 2.812 54 T HA 0.003 4.352 4.350 -0.001 0.000 0.264 54 T C 2.117 176.396 174.700 -0.703 0.000 1.042 54 T CA 1.327 63.189 62.100 -0.398 0.000 1.140 54 T CB -0.325 68.402 68.868 -0.235 0.000 0.870 54 T HN 0.212 nan 8.240 nan 0.000 0.445 55 S N 1.796 116.890 115.700 -1.009 0.000 2.370 55 S HA -0.157 4.312 4.470 -0.001 0.000 0.226 55 S C 2.277 176.158 174.600 -1.199 0.000 1.033 55 S CA 1.304 58.598 58.200 -1.510 0.000 1.011 55 S CB -0.498 61.462 63.200 -2.067 0.000 0.852 55 S HN 0.614 nan 8.310 nan 0.000 0.457 56 Q N 0.316 119.658 119.800 -0.763 0.000 2.077 56 Q HA -0.136 4.203 4.340 -0.001 0.000 0.206 56 Q C 2.314 178.176 176.000 -0.229 0.000 0.989 56 Q CA 1.685 57.255 55.803 -0.388 0.000 0.853 56 Q CB -0.447 28.148 28.738 -0.238 0.000 0.907 56 Q HN 0.416 nan 8.270 nan 0.000 0.418 57 V N -0.055 119.704 119.914 -0.259 0.000 2.307 57 V HA -0.195 3.924 4.120 -0.001 0.000 0.245 57 V C 2.231 178.256 176.094 -0.114 0.000 1.045 57 V CA 1.364 63.575 62.300 -0.147 0.000 1.024 57 V CB -0.449 31.290 31.823 -0.140 0.000 0.651 57 V HN 0.168 nan 8.190 nan 0.000 0.449 58 V N -1.384 118.384 119.914 -0.243 0.000 2.358 58 V HA -0.208 3.911 4.120 -0.001 0.000 0.246 58 V C 2.245 178.414 176.094 0.125 0.000 1.047 58 V CA 1.754 63.977 62.300 -0.129 0.000 1.035 58 V CB -0.711 30.892 31.823 -0.367 0.000 0.658 58 V HN 0.613 nan 8.190 nan 0.000 0.452 59 W N 0.407 121.572 121.300 -0.225 0.000 2.388 59 W HA -0.061 4.598 4.660 -0.001 0.000 0.294 59 W C 2.483 179.056 176.519 0.090 0.000 1.212 59 W CA 0.917 58.172 57.345 -0.149 0.000 1.271 59 W CB -1.354 27.791 29.460 -0.526 0.000 1.126 59 W HN 0.332 nan 8.180 nan 0.000 0.535 60 N N 1.056 119.941 118.700 0.309 0.000 2.084 60 N HA -0.196 4.544 4.740 -0.001 0.000 0.190 60 N C 1.419 177.082 175.510 0.256 0.000 1.030 60 N CA 1.801 55.026 53.050 0.293 0.000 0.849 60 N CB -0.204 38.392 38.487 0.181 0.000 1.012 60 N HN 0.259 nan 8.380 nan 0.000 0.423 61 E N -0.717 119.597 120.200 0.189 0.000 2.077 61 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 61 E C 1.806 178.529 176.600 0.205 0.000 0.989 61 E CA 1.066 57.565 56.400 0.165 0.000 0.800 61 E CB -0.249 29.520 29.700 0.116 0.000 0.746 61 E HN 0.451 nan 8.360 nan 0.000 0.452 62 Y N 1.102 121.475 120.300 0.122 0.000 2.145 62 Y HA -0.210 4.339 4.550 -0.001 0.000 0.286 62 Y C 2.171 178.163 175.900 0.152 0.000 1.145 62 Y CA 1.448 59.612 58.100 0.106 0.000 1.148 62 Y CB -0.425 38.065 38.460 0.050 0.000 0.981 62 Y HN -0.006 nan 8.280 nan 0.000 0.507 63 A N 0.514 123.423 122.820 0.148 0.000 1.908 63 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 63 A C 2.185 179.898 177.584 0.215 0.000 1.181 63 A CA 2.522 54.594 52.037 0.057 0.000 0.627 63 A CB -1.532 17.406 19.000 -0.103 0.000 0.818 63 A HN 0.608 nan 8.150 nan 0.000 0.445 64 E N -0.287 120.115 120.200 0.337 0.000 2.038 64 E HA -0.071 4.278 4.350 -0.001 0.000 0.195 64 E C 2.352 179.091 176.600 0.231 0.000 1.000 64 E CA 2.348 58.956 56.400 0.347 0.000 0.803 64 E CB -1.267 28.554 29.700 0.203 0.000 0.750 64 E HN 1.078 nan 8.360 nan 0.000 0.448 65 A N 0.956 123.838 122.820 0.104 0.000 1.902 65 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 65 A C 2.263 179.868 177.584 0.035 0.000 1.181 65 A CA 2.049 54.115 52.037 0.049 0.000 0.623 65 A CB -0.535 18.464 19.000 -0.002 0.000 0.818 65 A HN 0.489 nan 8.150 nan 0.000 0.443 66 N N -0.786 117.871 118.700 -0.073 0.000 2.084 66 N HA -0.192 4.548 4.740 -0.001 0.000 0.190 66 N C 1.610 177.265 175.510 0.241 0.000 1.030 66 N CA 1.687 54.764 53.050 0.046 0.000 0.849 66 N CB -0.455 37.997 38.487 -0.058 0.000 1.012 66 N HN 0.719 nan 8.380 nan 0.000 0.423 67 W N 1.516 122.788 121.300 -0.047 0.000 2.335 67 W HA -0.177 4.482 4.660 -0.001 0.000 0.311 67 W C 1.225 177.625 176.519 -0.199 0.000 1.213 67 W CA 1.363 58.450 57.345 -0.431 0.000 1.274 67 W CB -0.658 28.631 29.460 -0.286 0.000 1.148 67 W HN 0.104 nan 8.180 nan 0.000 0.498 68 N N -0.038 118.733 118.700 0.119 0.000 2.149 68 N HA -0.239 4.501 4.740 -0.001 0.000 0.188 68 N C 1.476 176.966 175.510 -0.032 0.000 1.019 68 N CA 1.888 54.964 53.050 0.045 0.000 0.857 68 N CB -1.351 37.209 38.487 0.122 0.000 0.997 68 N HN 0.303 nan 8.380 nan 0.000 0.426 69 Y N 1.756 122.007 120.300 -0.082 0.000 2.184 69 Y HA 0.029 4.578 4.550 -0.001 0.000 0.290 69 Y C 1.968 177.800 175.900 -0.113 0.000 1.129 69 Y CA 1.362 59.419 58.100 -0.071 0.000 1.144 69 Y CB -0.474 37.969 38.460 -0.028 0.000 0.995 69 Y HN 0.084 nan 8.280 nan 0.000 0.513 70 N N -0.691 117.908 118.700 -0.169 0.000 2.272 70 N HA -0.145 4.594 4.740 -0.001 0.000 0.185 70 N C 1.244 176.494 175.510 -0.432 0.000 1.014 70 N CA 1.888 54.792 53.050 -0.244 0.000 0.870 70 N CB -0.201 38.251 38.487 -0.059 0.000 0.975 70 N HN 0.521 nan 8.380 nan 0.000 0.433 71 T N -3.273 110.930 114.554 -0.586 0.000 3.092 71 T HA 0.170 4.519 4.350 -0.001 0.000 0.258 71 T C 0.252 174.745 174.700 -0.345 0.000 1.031 71 T CA -0.315 61.450 62.100 -0.558 0.000 0.925 71 T CB 0.235 68.585 68.868 -0.864 0.000 1.036 71 T HN -0.095 nan 8.240 nan 0.000 0.544 72 N N 0.998 119.502 118.700 -0.327 0.000 3.029 72 N HA 0.204 4.943 4.740 -0.001 0.000 0.198 72 N C -1.344 174.000 175.510 -0.276 0.000 1.444 72 N CA -0.378 52.535 53.050 -0.228 0.000 0.784 72 N CB 0.133 38.536 38.487 -0.139 0.000 1.539 72 N HN 0.366 nan 8.380 nan 0.000 0.582 73 I N 2.357 122.711 120.570 -0.360 0.000 2.460 73 I HA 0.072 4.241 4.170 -0.001 0.000 0.297 73 I C 0.711 176.746 176.117 -0.137 0.000 1.139 73 I CA 0.382 61.395 61.300 -0.479 0.000 1.340 73 I CB -0.139 37.609 38.000 -0.420 0.000 1.444 73 I HN 0.380 nan 8.210 nan 0.000 0.557 74 T N -0.244 114.319 114.554 0.015 0.000 2.864 74 T HA 0.281 4.631 4.350 -0.001 0.000 0.289 74 T C 0.925 175.726 174.700 0.169 0.000 1.082 74 T CA -0.661 61.488 62.100 0.082 0.000 1.009 74 T CB 1.730 70.627 68.868 0.048 0.000 1.234 74 T HN 0.336 nan 8.240 nan 0.000 0.526 75 T N 0.325 114.943 114.554 0.107 0.000 2.720 75 T HA -0.109 4.240 4.350 -0.001 0.000 0.268 75 T C 1.654 176.402 174.700 0.080 0.000 1.037 75 T CA 1.896 64.049 62.100 0.089 0.000 1.144 75 T CB -0.444 68.459 68.868 0.058 0.000 0.864 75 T HN 0.824 nan 8.240 nan 0.000 0.444 76 E N 0.831 121.075 120.200 0.073 0.000 2.031 76 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 76 E C 2.347 178.994 176.600 0.078 0.000 0.994 76 E CA 1.791 58.228 56.400 0.061 0.000 0.800 76 E CB -0.165 29.565 29.700 0.050 0.000 0.752 76 E HN 0.659 nan 8.360 nan 0.000 0.447 77 T N -1.730 112.901 114.554 0.130 0.000 2.915 77 T HA -0.028 4.321 4.350 -0.001 0.000 0.269 77 T C 2.135 176.930 174.700 0.159 0.000 1.071 77 T CA 1.188 63.398 62.100 0.184 0.000 1.132 77 T CB -0.157 68.859 68.868 0.246 0.000 0.878 77 T HN -0.036 nan 8.240 nan 0.000 0.479 78 S N 1.296 117.060 115.700 0.108 0.000 2.348 78 S HA -0.022 4.447 4.470 -0.001 0.000 0.221 78 S C 2.042 176.557 174.600 -0.141 0.000 1.033 78 S CA 1.218 59.276 58.200 -0.237 0.000 1.010 78 S CB -0.325 62.806 63.200 -0.115 0.000 0.891 78 S HN 0.572 nan 8.310 nan 0.000 0.442 79 K N 0.693 121.072 120.400 -0.036 0.000 2.032 79 K HA -0.060 4.259 4.320 -0.001 0.000 0.209 79 K C 1.954 178.549 176.600 -0.008 0.000 1.048 79 K CA 1.439 57.716 56.287 -0.016 0.000 0.927 79 K CB -0.305 32.201 32.500 0.010 0.000 0.712 79 K HN 0.304 nan 8.250 nan 0.000 0.441 80 I N 0.837 121.412 120.570 0.008 0.000 2.226 80 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 80 I C 2.261 178.387 176.117 0.016 0.000 1.100 80 I CA 0.556 61.870 61.300 0.023 0.000 1.374 80 I CB -0.242 37.782 38.000 0.040 0.000 1.057 80 I HN 0.206 nan 8.210 nan 0.000 0.413 81 L N 0.943 122.150 121.223 -0.025 0.000 1.994 81 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 81 L C 2.319 179.187 176.870 -0.004 0.000 1.071 81 L CA 1.878 56.689 54.840 -0.048 0.000 0.745 81 L CB -0.630 41.331 42.059 -0.163 0.000 0.892 81 L HN 0.124 nan 8.230 nan 0.000 0.431 82 L N -0.506 120.689 121.223 -0.047 0.000 2.127 82 L HA -0.232 4.107 4.340 -0.001 0.000 0.211 82 L C 2.692 179.581 176.870 0.032 0.000 1.089 82 L CA 1.508 56.340 54.840 -0.014 0.000 0.757 82 L CB -0.802 41.231 42.059 -0.042 0.000 0.899 82 L HN 0.530 nan 8.230 nan 0.000 0.434 83 Q N 0.587 120.408 119.800 0.035 0.000 2.083 83 Q HA -0.186 4.153 4.340 -0.001 0.000 0.198 83 Q C 2.067 178.118 176.000 0.084 0.000 0.969 83 Q CA 1.277 57.111 55.803 0.052 0.000 0.838 83 Q CB 0.122 28.886 28.738 0.044 0.000 0.900 83 Q HN 0.363 nan 8.270 nan 0.000 0.436 84 K N 0.802 121.270 120.400 0.114 0.000 2.211 84 K HA -0.066 4.253 4.320 -0.001 0.000 0.203 84 K C 1.727 178.471 176.600 0.241 0.000 1.050 84 K CA 0.544 56.943 56.287 0.186 0.000 0.945 84 K CB -0.230 32.399 32.500 0.215 0.000 0.732 84 K HN 0.267 nan 8.250 nan 0.000 0.451 85 N N 0.845 119.677 118.700 0.220 0.000 2.094 85 N HA -0.156 4.583 4.740 -0.001 0.000 0.191 85 N C 1.644 177.190 175.510 0.060 0.000 1.023 85 N CA 1.304 54.433 53.050 0.132 0.000 0.857 85 N CB -0.094 38.456 38.487 0.105 0.000 1.013 85 N HN 0.079 nan 8.380 nan 0.000 0.426 86 M N 0.975 120.618 119.600 0.072 0.000 2.254 86 M HA -0.020 4.460 4.480 -0.001 0.000 0.265 86 M C 2.090 178.433 176.300 0.072 0.000 1.066 86 M CA 0.989 56.325 55.300 0.061 0.000 1.123 86 M CB -0.737 31.896 32.600 0.055 0.000 1.388 86 M HN 0.198 nan 8.290 nan 0.000 0.425 87 Q N -0.102 119.749 119.800 0.086 0.000 2.020 87 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 87 Q C 2.181 178.249 176.000 0.113 0.000 0.982 87 Q CA 1.731 57.593 55.803 0.098 0.000 0.838 87 Q CB -0.289 28.511 28.738 0.103 0.000 0.899 87 Q HN 0.543 nan 8.270 nan 0.000 0.423 88 I N 0.213 120.833 120.570 0.083 0.000 2.361 88 I HA -0.218 3.952 4.170 -0.001 0.000 0.251 88 I C 2.062 178.242 176.117 0.106 0.000 1.133 88 I CA 1.236 62.575 61.300 0.065 0.000 1.413 88 I CB -0.147 37.763 38.000 -0.151 0.000 1.073 88 I HN 0.316 nan 8.210 nan 0.000 0.424 89 A N -0.119 122.734 122.820 0.056 0.000 1.930 89 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 89 A C 2.219 179.864 177.584 0.103 0.000 1.175 89 A CA 1.509 53.587 52.037 0.067 0.000 0.627 89 A CB -0.615 18.411 19.000 0.043 0.000 0.815 89 A HN 0.570 nan 8.150 nan 0.000 0.443 90 Q N -1.408 118.459 119.800 0.112 0.000 2.045 90 Q HA -0.286 4.054 4.340 -0.001 0.000 0.206 90 Q C 2.085 178.185 176.000 0.166 0.000 0.991 90 Q CA 2.128 58.001 55.803 0.117 0.000 0.851 90 Q CB -0.355 28.451 28.738 0.113 0.000 0.911 90 Q HN 0.955 nan 8.270 nan 0.000 0.418 91 H N -0.205 118.946 119.070 0.136 0.000 2.353 91 H HA -0.086 4.469 4.556 -0.001 0.000 0.300 91 H C 1.869 177.377 175.328 0.300 0.000 1.090 91 H CA 2.140 58.318 56.048 0.216 0.000 1.327 91 H CB -0.076 29.776 29.762 0.150 0.000 1.383 91 H HN 0.107 nan 8.280 nan 0.000 0.508 92 T N 1.019 115.705 114.554 0.221 0.000 2.746 92 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 92 T C 2.004 176.787 174.700 0.138 0.000 1.039 92 T CA 1.213 63.431 62.100 0.197 0.000 1.142 92 T CB -0.433 68.550 68.868 0.191 0.000 0.866 92 T HN 0.192 nan 8.240 nan 0.000 0.444 93 L N 1.509 122.792 121.223 0.101 0.000 2.017 93 L HA -0.024 4.315 4.340 -0.001 0.000 0.208 93 L C 2.395 179.291 176.870 0.042 0.000 1.073 93 L CA 1.903 56.782 54.840 0.064 0.000 0.745 93 L CB -0.623 41.464 42.059 0.046 0.000 0.894 93 L HN 0.121 nan 8.230 nan 0.000 0.432 94 K N -1.566 118.847 120.400 0.021 0.000 2.001 94 K HA -0.272 4.047 4.320 -0.001 0.000 0.214 94 K C 2.166 178.691 176.600 -0.126 0.000 1.050 94 K CA 2.477 58.712 56.287 -0.087 0.000 0.934 94 K CB -0.497 31.918 32.500 -0.141 0.000 0.718 94 K HN 0.371 nan 8.250 nan 0.000 0.443 95 Y N -0.187 120.133 120.300 0.034 0.000 2.337 95 Y HA 0.030 4.579 4.550 -0.001 0.000 0.293 95 Y C 2.422 178.482 175.900 0.266 0.000 1.123 95 Y CA 1.147 59.381 58.100 0.223 0.000 1.201 95 Y CB -0.495 38.069 38.460 0.173 0.000 1.011 95 Y HN 0.283 nan 8.280 nan 0.000 0.545 96 G N -0.770 108.184 108.800 0.256 0.000 2.421 96 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.216 96 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.216 96 G C 1.726 176.669 174.900 0.073 0.000 1.171 96 G CA 1.614 46.806 45.100 0.153 0.000 0.775 96 G HN 0.303 nan 8.290 nan 0.000 0.543 97 T N 0.850 115.428 114.554 0.039 0.000 2.720 97 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 97 T C 2.428 177.098 174.700 -0.051 0.000 1.037 97 T CA 1.581 63.672 62.100 -0.015 0.000 1.144 97 T CB -0.206 68.645 68.868 -0.028 0.000 0.864 97 T HN 0.355 nan 8.240 nan 0.000 0.444 98 Q N 0.392 120.170 119.800 -0.037 0.000 2.079 98 Q HA 0.023 4.363 4.340 -0.001 0.000 0.200 98 Q C 2.788 178.634 176.000 -0.257 0.000 0.974 98 Q CA 1.273 57.001 55.803 -0.125 0.000 0.840 98 Q CB -0.305 28.439 28.738 0.010 0.000 0.898 98 Q HN 0.564 nan 8.270 nan 0.000 0.430 99 A N 1.253 123.960 122.820 -0.190 0.000 1.972 99 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 99 A C 1.893 179.469 177.584 -0.012 0.000 1.169 99 A CA 1.210 53.143 52.037 -0.174 0.000 0.635 99 A CB -0.343 18.661 19.000 0.006 0.000 0.810 99 A HN 0.209 nan 8.150 nan 0.000 0.446 100 R N -0.497 119.976 120.500 -0.045 0.000 2.307 100 R HA 0.020 4.359 4.340 -0.001 0.000 0.199 100 R C 1.505 177.754 176.300 -0.086 0.000 1.000 100 R CA 0.898 56.970 56.100 -0.046 0.000 1.023 100 R CB -0.067 30.204 30.300 -0.047 0.000 0.908 100 R HN 0.498 nan 8.270 nan 0.000 0.473 101 K N -0.282 120.016 120.400 -0.170 0.000 2.365 101 K HA 0.030 4.349 4.320 -0.001 0.000 0.197 101 K C -0.131 176.264 176.600 -0.341 0.000 1.042 101 K CA 0.421 56.539 56.287 -0.281 0.000 0.987 101 K CB 0.227 32.490 32.500 -0.393 0.000 0.779 101 K HN -0.016 nan 8.250 nan 0.000 0.484 102 F N 1.692 121.533 119.950 -0.182 0.000 2.412 102 F HA 0.046 4.573 4.527 -0.001 0.000 0.348 102 F C 0.788 176.525 175.800 -0.105 0.000 1.102 102 F CA -0.827 57.083 58.000 -0.149 0.000 1.196 102 F CB 0.562 39.453 39.000 -0.182 0.000 1.144 102 F HN -0.128 nan 8.300 nan 0.000 0.541 103 D N 3.379 123.841 120.400 0.103 0.000 2.422 103 D HA 0.117 4.756 4.640 -0.001 0.000 0.227 103 D C 0.983 177.319 176.300 0.059 0.000 1.190 103 D CA 0.156 54.185 54.000 0.049 0.000 0.905 103 D CB 1.024 41.835 40.800 0.018 0.000 1.034 103 D HN 0.301 nan 8.370 nan 0.000 0.507 104 V N 4.158 124.095 119.914 0.039 0.000 2.295 104 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 104 V C 1.983 178.077 176.094 0.001 0.000 1.049 104 V CA 1.228 63.535 62.300 0.012 0.000 1.024 104 V CB -0.337 31.484 31.823 -0.003 0.000 0.648 104 V HN 0.596 nan 8.190 nan 0.000 0.447 105 N N 0.081 118.781 118.700 -0.000 0.000 2.571 105 N HA -0.087 4.652 4.740 -0.001 0.000 0.189 105 N C 1.327 176.836 175.510 -0.002 0.000 1.154 105 N CA 0.624 53.671 53.050 -0.005 0.000 0.907 105 N CB 0.000 38.483 38.487 -0.007 0.000 0.977 105 N HN 0.565 nan 8.380 nan 0.000 0.449 106 Q N 0.313 120.116 119.800 0.006 0.000 2.189 106 Q HA 0.195 4.534 4.340 -0.001 0.000 0.221 106 Q C -0.710 175.299 176.000 0.014 0.000 0.848 106 Q CA -0.193 55.616 55.803 0.009 0.000 1.007 106 Q CB 0.622 29.368 28.738 0.013 0.000 1.116 106 Q HN 0.123 nan 8.270 nan 0.000 0.481 107 L N 0.329 121.556 121.223 0.007 0.000 2.317 107 L HA 0.220 4.560 4.340 -0.001 0.000 0.281 107 L C 1.331 178.197 176.870 -0.007 0.000 1.024 107 L CA 0.221 55.062 54.840 0.001 0.000 0.810 107 L CB 1.698 43.746 42.059 -0.017 0.000 1.240 107 L HN 0.020 nan 8.230 nan 0.000 0.427 108 Q N 1.623 121.420 119.800 -0.004 0.000 2.016 108 Q HA -0.076 4.263 4.340 -0.001 0.000 0.200 108 Q C 0.592 176.585 176.000 -0.012 0.000 0.978 108 Q CA 0.924 56.724 55.803 -0.006 0.000 0.833 108 Q CB 0.134 28.872 28.738 -0.001 0.000 0.895 108 Q HN 0.631 nan 8.270 nan 0.000 0.427 109 N N 0.264 118.955 118.700 -0.015 0.000 2.475 109 N HA -0.039 4.700 4.740 -0.001 0.000 0.267 109 N C 0.287 175.782 175.510 -0.025 0.000 1.169 109 N CA 0.345 53.385 53.050 -0.018 0.000 0.947 109 N CB 1.439 39.916 38.487 -0.017 0.000 1.061 109 N HN 0.092 nan 8.380 nan 0.000 0.466 110 T N 2.491 117.030 114.554 -0.024 0.000 2.737 110 T HA -0.102 4.248 4.350 -0.001 0.000 0.265 110 T C 1.584 176.263 174.700 -0.035 0.000 1.038 110 T CA 1.604 63.685 62.100 -0.032 0.000 1.144 110 T CB -0.137 68.711 68.868 -0.033 0.000 0.866 110 T HN 0.584 nan 8.240 nan 0.000 0.434 111 T N 1.762 116.299 114.554 -0.028 0.000 2.746 111 T HA -0.028 4.321 4.350 -0.001 0.000 0.267 111 T C 1.919 176.605 174.700 -0.022 0.000 1.039 111 T CA 0.952 63.039 62.100 -0.022 0.000 1.142 111 T CB -0.353 68.508 68.868 -0.010 0.000 0.866 111 T HN 0.177 nan 8.240 nan 0.000 0.444 112 I N 0.972 121.524 120.570 -0.029 0.000 2.252 112 I HA -0.084 4.085 4.170 -0.001 0.000 0.245 112 I C 2.387 178.465 176.117 -0.064 0.000 1.102 112 I CA 1.277 62.549 61.300 -0.045 0.000 1.385 112 I CB -0.292 37.676 38.000 -0.054 0.000 1.064 112 I HN 0.147 nan 8.210 nan 0.000 0.414 113 K N 0.713 121.078 120.400 -0.057 0.000 2.063 113 K HA -0.244 4.075 4.320 -0.001 0.000 0.208 113 K C 2.420 178.997 176.600 -0.039 0.000 1.048 113 K CA 1.575 57.829 56.287 -0.055 0.000 0.928 113 K CB -0.129 32.347 32.500 -0.040 0.000 0.713 113 K HN 0.108 nan 8.250 nan 0.000 0.442 114 R N 0.509 120.991 120.500 -0.030 0.000 2.081 114 R HA -0.060 4.280 4.340 -0.001 0.000 0.235 114 R C 2.271 178.584 176.300 0.021 0.000 1.131 114 R CA 1.563 57.656 56.100 -0.012 0.000 0.960 114 R CB -0.211 30.065 30.300 -0.040 0.000 0.856 114 R HN 0.261 nan 8.270 nan 0.000 0.436 115 I N 0.323 120.896 120.570 0.005 0.000 2.142 115 I HA -0.302 3.867 4.170 -0.001 0.000 0.240 115 I C 2.175 178.271 176.117 -0.035 0.000 1.078 115 I CA 1.373 62.675 61.300 0.004 0.000 1.343 115 I CB -0.209 37.786 38.000 -0.009 0.000 1.046 115 I HN 0.193 nan 8.210 nan 0.000 0.405 116 I N 0.487 121.027 120.570 -0.049 0.000 2.226 116 I HA -0.312 3.857 4.170 -0.001 0.000 0.245 116 I C 2.545 178.645 176.117 -0.028 0.000 1.100 116 I CA 1.431 62.697 61.300 -0.057 0.000 1.374 116 I CB -0.389 37.502 38.000 -0.181 0.000 1.057 116 I HN 0.161 nan 8.210 nan 0.000 0.413 117 K N 0.889 121.283 120.400 -0.011 0.000 2.044 117 K HA -0.276 4.043 4.320 -0.001 0.000 0.210 117 K C 2.199 178.826 176.600 0.044 0.000 1.049 117 K CA 1.793 58.090 56.287 0.017 0.000 0.927 117 K CB -0.100 32.418 32.500 0.029 0.000 0.713 117 K HN 0.109 nan 8.250 nan 0.000 0.443 118 K N 0.356 120.794 120.400 0.063 0.000 2.057 118 K HA -0.112 4.208 4.320 -0.001 0.000 0.207 118 K C 1.756 178.386 176.600 0.050 0.000 1.049 118 K CA 1.174 57.514 56.287 0.088 0.000 0.931 118 K CB 0.106 32.684 32.500 0.131 0.000 0.714 118 K HN -0.060 nan 8.250 nan 0.000 0.440 119 V N 1.587 121.487 119.914 -0.023 0.000 2.594 119 V HA -0.239 3.880 4.120 -0.001 0.000 0.253 119 V C 2.076 178.194 176.094 0.040 0.000 1.069 119 V CA 1.666 63.930 62.300 -0.060 0.000 1.082 119 V CB -0.562 31.102 31.823 -0.265 0.000 0.680 119 V HN 0.410 nan 8.190 nan 0.000 0.469 120 Q N -0.266 119.553 119.800 0.033 0.000 2.297 120 Q HA -0.153 4.187 4.340 -0.001 0.000 0.208 120 Q C 0.883 176.906 176.000 0.039 0.000 0.981 120 Q CA 0.899 56.719 55.803 0.029 0.000 0.876 120 Q CB -0.131 28.611 28.738 0.006 0.000 0.921 120 Q HN 0.532 nan 8.270 nan 0.000 0.446 121 D N 0.258 120.696 120.400 0.063 0.000 2.365 121 D HA 0.068 4.707 4.640 -0.001 0.000 0.237 121 D C 0.486 176.838 176.300 0.087 0.000 1.190 121 D CA -0.010 54.044 54.000 0.089 0.000 0.867 121 D CB 0.782 41.665 40.800 0.139 0.000 1.050 121 D HN 0.094 nan 8.370 nan 0.000 0.491 122 L N 2.921 124.187 121.223 0.071 0.000 2.492 122 L HA 0.049 4.388 4.340 -0.001 0.000 0.223 122 L C 1.388 178.289 176.870 0.053 0.000 1.132 122 L CA -0.019 54.862 54.840 0.068 0.000 0.850 122 L CB -0.471 41.617 42.059 0.049 0.000 0.966 122 L HN 0.505 nan 8.230 nan 0.000 0.454 123 E N 0.172 120.404 120.200 0.053 0.000 3.304 123 E HA -0.411 3.938 4.350 -0.001 0.000 0.365 123 E C 1.450 178.058 176.600 0.014 0.000 1.512 123 E CA 1.795 58.216 56.400 0.036 0.000 1.642 123 E CB -0.767 28.945 29.700 0.021 0.000 1.738 123 E HN 0.512 nan 8.360 nan 0.000 0.483 124 R N 1.345 121.864 120.500 0.032 0.000 2.189 124 R HA 0.083 4.422 4.340 -0.001 0.000 0.223 124 R C 2.035 178.352 176.300 0.029 0.000 1.092 124 R CA 1.556 57.680 56.100 0.040 0.000 0.989 124 R CB -0.189 30.243 30.300 0.221 0.000 0.876 124 R HN 0.365 nan 8.270 nan 0.000 0.457 125 A N 1.066 123.904 122.820 0.030 0.000 2.216 125 A HA 0.149 4.468 4.320 -0.001 0.000 0.214 125 A C 2.246 179.842 177.584 0.020 0.000 1.160 125 A CA 1.002 53.059 52.037 0.032 0.000 0.725 125 A CB -0.371 18.656 19.000 0.046 0.000 0.784 125 A HN 0.550 nan 8.150 nan 0.000 0.472 126 A N -0.430 122.392 122.820 0.003 0.000 2.066 126 A HA 0.281 4.601 4.320 -0.001 0.000 0.218 126 A C 0.988 178.555 177.584 -0.028 0.000 1.157 126 A CA 0.071 52.101 52.037 -0.012 0.000 0.670 126 A CB -0.350 18.638 19.000 -0.020 0.000 0.804 126 A HN 0.456 nan 8.150 nan 0.000 0.453 127 L N 1.010 122.211 121.223 -0.037 0.000 2.456 127 L HA 0.174 4.513 4.340 -0.001 0.000 0.272 127 L C -2.119 174.741 176.870 -0.017 0.000 1.189 127 L CA -1.775 53.038 54.840 -0.045 0.000 0.846 127 L CB 0.165 42.190 42.059 -0.058 0.000 1.111 127 L HN 0.077 nan 8.230 nan 0.000 0.475 128 P HA -0.029 nan 4.420 nan 0.000 0.268 128 P C 0.232 177.536 177.300 0.006 0.000 1.208 128 P CA -0.032 63.063 63.100 -0.007 0.000 0.777 128 P CB 0.693 32.385 31.700 -0.012 0.000 0.875 129 A N 2.188 125.015 122.820 0.012 0.000 1.903 129 A HA -0.313 4.006 4.320 -0.001 0.000 0.219 129 A C 2.213 179.813 177.584 0.027 0.000 1.191 129 A CA 2.210 54.260 52.037 0.022 0.000 0.638 129 A CB -1.448 17.564 19.000 0.020 0.000 0.823 129 A HN 0.713 nan 8.150 nan 0.000 0.451 130 Q N -0.812 119.001 119.800 0.021 0.000 2.050 130 Q HA -0.248 4.091 4.340 -0.001 0.000 0.202 130 Q C 1.934 177.955 176.000 0.034 0.000 0.980 130 Q CA 1.977 57.795 55.803 0.025 0.000 0.840 130 Q CB -0.147 28.602 28.738 0.017 0.000 0.898 130 Q HN 0.712 nan 8.270 nan 0.000 0.424 131 E N 0.498 120.713 120.200 0.025 0.000 2.110 131 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 131 E C 1.793 178.435 176.600 0.070 0.000 0.988 131 E CA 1.009 57.427 56.400 0.029 0.000 0.804 131 E CB -0.178 29.514 29.700 -0.012 0.000 0.745 131 E HN 0.275 nan 8.360 nan 0.000 0.458 132 L N 1.548 122.810 121.223 0.064 0.000 2.017 132 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 132 L C 2.158 179.100 176.870 0.120 0.000 1.073 132 L CA 2.146 57.050 54.840 0.108 0.000 0.745 132 L CB -0.647 41.455 42.059 0.072 0.000 0.894 132 L HN 0.251 nan 8.230 nan 0.000 0.432 133 E N -0.911 119.336 120.200 0.077 0.000 2.110 133 E HA -0.307 4.042 4.350 -0.001 0.000 0.193 133 E C 2.005 178.645 176.600 0.068 0.000 0.988 133 E CA 1.477 57.914 56.400 0.061 0.000 0.804 133 E CB -0.682 29.044 29.700 0.043 0.000 0.745 133 E HN 0.741 nan 8.360 nan 0.000 0.458 134 E N 0.003 120.255 120.200 0.087 0.000 2.051 134 E HA -0.247 4.102 4.350 -0.001 0.000 0.192 134 E C 1.985 178.671 176.600 0.143 0.000 0.991 134 E CA 1.156 57.616 56.400 0.101 0.000 0.799 134 E CB -0.267 29.491 29.700 0.097 0.000 0.748 134 E HN 0.401 nan 8.360 nan 0.000 0.449 135 Y N 1.958 122.274 120.300 0.028 0.000 2.145 135 Y HA -0.224 4.325 4.550 -0.001 0.000 0.286 135 Y C 1.971 177.892 175.900 0.036 0.000 1.145 135 Y CA 1.977 60.099 58.100 0.037 0.000 1.148 135 Y CB -0.449 38.020 38.460 0.015 0.000 0.981 135 Y HN 0.100 nan 8.280 nan 0.000 0.507 136 N N 0.641 119.316 118.700 -0.042 0.000 2.104 136 N HA -0.210 4.529 4.740 -0.001 0.000 0.190 136 N C 1.917 177.344 175.510 -0.139 0.000 1.024 136 N CA 1.676 54.645 53.050 -0.135 0.000 0.853 136 N CB -0.454 38.015 38.487 -0.030 0.000 1.008 136 N HN 0.452 nan 8.380 nan 0.000 0.424 137 K N 0.790 121.148 120.400 -0.069 0.000 2.057 137 K HA 0.031 4.350 4.320 -0.001 0.000 0.206 137 K C 2.078 178.613 176.600 -0.109 0.000 1.050 137 K CA 0.590 56.836 56.287 -0.069 0.000 0.935 137 K CB -0.072 32.424 32.500 -0.007 0.000 0.715 137 K HN 0.049 nan 8.250 nan 0.000 0.439 138 I N 1.337 121.864 120.570 -0.072 0.000 2.163 138 I HA -0.330 3.840 4.170 -0.001 0.000 0.243 138 I C 2.179 178.142 176.117 -0.256 0.000 1.085 138 I CA 1.201 62.443 61.300 -0.097 0.000 1.347 138 I CB -0.165 37.894 38.000 0.100 0.000 1.044 138 I HN 0.195 nan 8.210 nan 0.000 0.408 139 L N -0.312 120.748 121.223 -0.272 0.000 2.017 139 L HA -0.241 4.098 4.340 -0.001 0.000 0.208 139 L C 2.582 179.302 176.870 -0.249 0.000 1.073 139 L CA 1.145 55.809 54.840 -0.294 0.000 0.745 139 L CB -0.589 41.253 42.059 -0.362 0.000 0.894 139 L HN 0.280 nan 8.230 nan 0.000 0.432 140 L N -0.076 121.013 121.223 -0.222 0.000 2.017 140 L HA -0.245 4.094 4.340 -0.001 0.000 0.208 140 L C 2.063 178.825 176.870 -0.181 0.000 1.073 140 L CA 1.885 56.613 54.840 -0.186 0.000 0.745 140 L CB -0.503 41.422 42.059 -0.223 0.000 0.894 140 L HN 0.193 nan 8.230 nan 0.000 0.432 141 D N -0.803 119.421 120.400 -0.293 0.000 2.117 141 D HA -0.200 4.439 4.640 -0.001 0.000 0.197 141 D C 2.277 178.241 176.300 -0.560 0.000 0.987 141 D CA 1.695 55.435 54.000 -0.433 0.000 0.829 141 D CB -0.151 40.244 40.800 -0.674 0.000 0.961 141 D HN 0.380 nan 8.370 nan 0.000 0.460 142 M N 0.110 119.328 119.600 -0.636 0.000 2.086 142 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 142 M C 2.195 178.394 176.300 -0.168 0.000 1.067 142 M CA 1.283 56.345 55.300 -0.398 0.000 1.116 142 M CB -0.250 32.158 32.600 -0.321 0.000 1.348 142 M HN -0.095 nan 8.290 nan 0.000 0.407 143 E N 0.253 120.363 120.200 -0.151 0.000 2.077 143 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 143 E C 1.699 178.356 176.600 0.095 0.000 0.989 143 E CA 2.109 58.483 56.400 -0.043 0.000 0.800 143 E CB -0.207 29.481 29.700 -0.021 0.000 0.746 143 E HN 0.361 nan 8.360 nan 0.000 0.452 144 T N -0.364 114.237 114.554 0.078 0.000 2.737 144 T HA -0.122 4.228 4.350 -0.001 0.000 0.265 144 T C 1.831 176.590 174.700 0.098 0.000 1.038 144 T CA 1.785 63.954 62.100 0.116 0.000 1.144 144 T CB -0.717 68.234 68.868 0.140 0.000 0.866 144 T HN 0.244 nan 8.240 nan 0.000 0.434 145 T N 1.082 115.671 114.554 0.060 0.000 2.635 145 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 145 T C 1.617 176.377 174.700 0.099 0.000 1.040 145 T CA 1.665 63.813 62.100 0.080 0.000 1.156 145 T CB -0.614 68.317 68.868 0.105 0.000 0.863 145 T HN 0.481 nan 8.240 nan 0.000 0.430 146 Y N 1.638 121.951 120.300 0.022 0.000 2.181 146 Y HA -0.149 4.400 4.550 -0.001 0.000 0.288 146 Y C 2.636 178.668 175.900 0.219 0.000 1.146 146 Y CA 1.494 59.645 58.100 0.085 0.000 1.164 146 Y CB -0.264 38.239 38.460 0.072 0.000 0.982 146 Y HN 0.105 nan 8.280 nan 0.000 0.515 147 S N -0.781 115.122 115.700 0.338 0.000 2.481 147 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 147 S C 1.712 176.402 174.600 0.149 0.000 0.996 147 S CA 1.062 59.432 58.200 0.283 0.000 0.942 147 S CB -0.234 63.121 63.200 0.260 0.000 0.768 147 S HN 0.531 nan 8.310 nan 0.000 0.520 148 V N -1.593 118.386 119.914 0.108 0.000 3.605 148 V HA 0.589 4.708 4.120 -0.001 0.000 0.284 148 V C 0.635 176.771 176.094 0.070 0.000 1.386 148 V CA -0.124 62.221 62.300 0.075 0.000 1.053 148 V CB -0.676 31.180 31.823 0.055 0.000 0.857 148 V HN 0.267 nan 8.190 nan 0.000 0.436 149 A N 2.217 125.072 122.820 0.058 0.000 2.540 149 A HA 0.517 4.837 4.320 -0.001 0.000 0.239 149 A C 0.700 178.371 177.584 0.146 0.000 1.061 149 A CA 1.010 53.056 52.037 0.015 0.000 0.758 149 A CB -0.409 18.451 19.000 -0.233 0.000 0.991 149 A HN 1.032 nan 8.150 nan 0.000 0.502 150 T N -1.074 113.531 114.554 0.086 0.000 2.916 150 T HA 0.666 5.015 4.350 -0.001 0.000 0.292 150 T C -0.749 173.989 174.700 0.064 0.000 1.055 150 T CA -0.756 61.411 62.100 0.111 0.000 1.009 150 T CB 1.513 70.428 68.868 0.078 0.000 1.118 150 T HN 0.734 nan 8.240 nan 0.000 0.497 151 V N 1.068 121.022 119.914 0.066 0.000 2.407 151 V HA 0.487 4.607 4.120 -0.001 0.000 0.291 151 V C -0.334 175.797 176.094 0.061 0.000 1.018 151 V CA -0.830 61.445 62.300 -0.040 0.000 0.842 151 V CB 0.970 32.672 31.823 -0.202 0.000 0.996 151 V HN 1.215 nan 8.190 nan 0.000 0.426 152 c N 3.592 122.232 118.600 0.066 0.000 2.382 152 c HA 0.558 5.127 4.570 -0.001 0.000 0.327 152 c C 0.329 174.549 174.090 0.216 0.000 1.250 152 c CA -1.080 55.338 56.329 0.149 0.000 1.707 152 c CB 0.408 42.986 42.510 0.113 0.000 2.272 152 c HN 0.916 nan 8.230 nan 0.000 0.506 153 H N 1.789 121.090 119.070 0.385 0.000 2.964 153 H HA 0.195 4.750 4.556 -0.001 0.000 0.328 153 H C -2.199 173.211 175.328 0.136 0.000 1.030 153 H CA -0.295 55.883 56.048 0.216 0.000 1.445 153 H CB -0.172 29.603 29.762 0.023 0.000 1.449 153 H HN 0.445 nan 8.280 nan 0.000 0.581 154 P HA -0.051 nan 4.420 nan 0.000 0.264 154 P C -0.327 177.041 177.300 0.112 0.000 1.193 154 P CA 0.135 63.320 63.100 0.141 0.000 0.763 154 P CB 0.406 32.178 31.700 0.120 0.000 0.810 155 Q N -0.190 119.660 119.800 0.084 0.000 2.461 155 Q HA -0.198 4.142 4.340 -0.001 0.000 0.264 155 Q C 0.671 176.707 176.000 0.060 0.000 1.085 155 Q CA 1.432 57.271 55.803 0.060 0.000 1.006 155 Q CB -1.916 26.846 28.738 0.041 0.000 1.437 155 Q HN 0.785 nan 8.270 nan 0.000 0.514 156 G N -1.355 107.502 108.800 0.095 0.000 3.021 156 G HA2 0.658 4.617 3.960 -0.001 0.000 0.290 156 G HA3 0.658 4.617 3.960 -0.001 0.000 0.290 156 G C -0.779 174.201 174.900 0.134 0.000 1.291 156 G CA -0.217 44.940 45.100 0.095 0.000 0.834 156 G HN 0.353 nan 8.290 nan 0.000 0.564 157 S N -1.713 114.085 115.700 0.163 0.000 2.601 157 S HA 0.510 4.979 4.470 -0.001 0.000 0.271 157 S C -0.207 174.515 174.600 0.203 0.000 1.305 157 S CA -0.514 57.780 58.200 0.155 0.000 1.022 157 S CB 1.078 64.353 63.200 0.124 0.000 0.940 157 S HN 0.707 nan 8.310 nan 0.000 0.525 158 c N 2.501 121.188 118.600 0.144 0.000 2.355 158 c HA 0.659 5.228 4.570 -0.001 0.000 0.332 158 c C -0.266 173.904 174.090 0.133 0.000 1.255 158 c CA -0.780 55.632 56.329 0.138 0.000 1.792 158 c CB -0.209 42.360 42.510 0.098 0.000 2.300 158 c HN 0.776 nan 8.230 nan 0.000 0.515 159 L N 3.333 124.648 121.223 0.153 0.000 2.322 159 L HA 0.435 4.774 4.340 -0.001 0.000 0.281 159 L C 0.243 177.167 176.870 0.090 0.000 1.014 159 L CA 0.216 55.136 54.840 0.132 0.000 0.815 159 L CB 0.988 43.164 42.059 0.195 0.000 1.247 159 L HN 0.676 nan 8.230 nan 0.000 0.421 160 Q N 1.010 120.841 119.800 0.052 0.000 2.260 160 Q HA 0.202 4.541 4.340 -0.001 0.000 0.238 160 Q C 0.863 176.810 176.000 -0.089 0.000 0.948 160 Q CA -0.645 55.169 55.803 0.019 0.000 0.895 160 Q CB 1.488 30.238 28.738 0.020 0.000 1.218 160 Q HN 0.514 nan 8.270 nan 0.000 0.470 161 L N 1.157 122.237 121.223 -0.240 0.000 2.012 161 L HA -0.140 4.199 4.340 -0.001 0.000 0.210 161 L C -0.054 176.671 176.870 -0.243 0.000 1.073 161 L CA 1.950 56.486 54.840 -0.507 0.000 0.748 161 L CB 0.121 41.629 42.059 -0.918 0.000 0.891 161 L HN 0.583 nan 8.230 nan 0.000 0.431 162 E N 0.504 120.633 120.200 -0.119 0.000 2.129 162 E HA 0.266 4.616 4.350 -0.001 0.000 0.268 162 E C -1.976 174.613 176.600 -0.018 0.000 0.900 162 E CA -1.559 54.813 56.400 -0.047 0.000 0.755 162 E CB 1.276 30.970 29.700 -0.009 0.000 1.117 162 E HN 0.219 nan 8.360 nan 0.000 0.410 163 P HA 0.113 nan 4.420 nan 0.000 0.282 163 P C 0.022 177.307 177.300 -0.024 0.000 1.327 163 P CA 0.017 63.109 63.100 -0.013 0.000 0.949 163 P CB 0.774 32.478 31.700 0.008 0.000 1.445 164 D N 0.643 121.029 120.400 -0.023 0.000 2.091 164 D HA -0.040 4.599 4.640 -0.001 0.000 0.199 164 D C 2.103 178.400 176.300 -0.005 0.000 0.980 164 D CA 1.111 55.114 54.000 0.005 0.000 0.831 164 D CB -0.415 40.406 40.800 0.035 0.000 0.987 164 D HN 0.174 nan 8.370 nan 0.000 0.460 165 L N 0.839 122.024 121.223 -0.064 0.000 2.093 165 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 165 L C 2.568 179.358 176.870 -0.134 0.000 1.085 165 L CA 0.956 55.737 54.840 -0.098 0.000 0.755 165 L CB -0.601 41.315 42.059 -0.238 0.000 0.904 165 L HN 0.006 nan 8.230 nan 0.000 0.435 166 T N -0.525 113.934 114.554 -0.159 0.000 2.684 166 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 166 T C 1.675 176.344 174.700 -0.051 0.000 1.036 166 T CA 2.014 64.044 62.100 -0.117 0.000 1.148 166 T CB -0.367 68.459 68.868 -0.070 0.000 0.863 166 T HN 0.299 nan 8.240 nan 0.000 0.436 167 N N 0.530 119.215 118.700 -0.025 0.000 2.120 167 N HA -0.091 4.649 4.740 -0.001 0.000 0.188 167 N C 1.725 177.242 175.510 0.011 0.000 1.024 167 N CA 0.943 53.993 53.050 0.000 0.000 0.852 167 N CB -0.393 38.100 38.487 0.010 0.000 1.003 167 N HN 0.163 nan 8.380 nan 0.000 0.424 168 V N 0.720 120.647 119.914 0.022 0.000 2.287 168 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 168 V C 2.342 178.457 176.094 0.034 0.000 1.053 168 V CA 1.435 63.765 62.300 0.050 0.000 1.027 168 V CB -0.514 31.372 31.823 0.106 0.000 0.646 168 V HN 0.406 nan 8.190 nan 0.000 0.447 169 M N -0.135 119.467 119.600 0.003 0.000 2.159 169 M HA -0.112 4.368 4.480 -0.001 0.000 0.263 169 M C 2.296 178.592 176.300 -0.006 0.000 1.063 169 M CA 2.177 57.470 55.300 -0.013 0.000 1.110 169 M CB -1.545 31.013 32.600 -0.070 0.000 1.374 169 M HN 0.428 nan 8.290 nan 0.000 0.411 170 A N -0.348 122.472 122.820 -0.000 0.000 1.970 170 A HA -0.062 4.257 4.320 -0.001 0.000 0.216 170 A C 2.237 179.832 177.584 0.017 0.000 1.170 170 A CA 2.030 54.076 52.037 0.015 0.000 0.645 170 A CB -0.631 18.380 19.000 0.018 0.000 0.816 170 A HN 0.580 nan 8.150 nan 0.000 0.447 171 T N -4.540 110.025 114.554 0.017 0.000 2.964 171 T HA 0.203 4.552 4.350 -0.001 0.000 0.249 171 T C 1.008 175.720 174.700 0.021 0.000 1.000 171 T CA 0.677 62.788 62.100 0.017 0.000 0.992 171 T CB -0.514 68.365 68.868 0.018 0.000 1.087 171 T HN 0.247 nan 8.240 nan 0.000 0.489 172 S N 1.396 117.116 115.700 0.034 0.000 2.549 172 S HA 0.266 4.735 4.470 -0.001 0.000 0.283 172 S C 0.608 175.253 174.600 0.075 0.000 1.320 172 S CA -0.592 57.641 58.200 0.055 0.000 1.058 172 S CB 0.164 63.407 63.200 0.071 0.000 0.882 172 S HN 0.308 nan 8.310 nan 0.000 0.498 173 R N 3.180 123.741 120.500 0.101 0.000 2.613 173 R HA 0.236 4.575 4.340 -0.001 0.000 0.361 173 R C -0.627 175.877 176.300 0.341 0.000 1.072 173 R CA -0.066 56.139 56.100 0.174 0.000 1.089 173 R CB 0.165 30.462 30.300 -0.006 0.000 1.343 173 R HN 0.553 nan 8.270 nan 0.000 0.571 174 K N 0.505 121.063 120.400 0.263 0.000 2.293 174 K HA 0.166 4.486 4.320 -0.001 0.000 0.267 174 K C 0.192 176.957 176.600 0.274 0.000 1.010 174 K CA -0.461 55.981 56.287 0.259 0.000 0.875 174 K CB 1.525 34.111 32.500 0.145 0.000 1.106 174 K HN -0.088 nan 8.250 nan 0.000 0.450 175 Y N 3.081 123.494 120.300 0.188 0.000 2.102 175 Y HA -0.346 4.204 4.550 -0.001 0.000 0.280 175 Y C 1.810 177.763 175.900 0.088 0.000 1.178 175 Y CA 1.896 60.013 58.100 0.029 0.000 1.146 175 Y CB 0.405 38.811 38.460 -0.090 0.000 0.968 175 Y HN 0.636 nan 8.280 nan 0.000 0.504 176 E N -0.153 120.222 120.200 0.290 0.000 2.107 176 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 176 E C 1.723 178.441 176.600 0.197 0.000 0.982 176 E CA 1.282 57.815 56.400 0.221 0.000 0.809 176 E CB -0.302 29.497 29.700 0.166 0.000 0.756 176 E HN 0.607 nan 8.360 nan 0.000 0.459 177 D N 0.674 121.176 120.400 0.170 0.000 2.149 177 D HA -0.067 4.573 4.640 -0.001 0.000 0.201 177 D C 2.189 178.630 176.300 0.235 0.000 0.972 177 D CA 0.473 54.581 54.000 0.179 0.000 0.835 177 D CB -0.239 40.626 40.800 0.108 0.000 0.966 177 D HN 0.130 nan 8.370 nan 0.000 0.476 178 L N 0.120 121.443 121.223 0.167 0.000 2.046 178 L HA -0.146 4.193 4.340 -0.001 0.000 0.208 178 L C 2.302 179.303 176.870 0.218 0.000 1.077 178 L CA 0.481 55.413 54.840 0.154 0.000 0.747 178 L CB -0.283 41.779 42.059 0.004 0.000 0.896 178 L HN 0.090 nan 8.230 nan 0.000 0.432 179 L N -0.819 120.494 121.223 0.150 0.000 2.056 179 L HA -0.210 4.129 4.340 -0.001 0.000 0.207 179 L C 2.214 179.185 176.870 0.169 0.000 1.078 179 L CA 1.690 56.522 54.840 -0.012 0.000 0.749 179 L CB -0.755 41.196 42.059 -0.180 0.000 0.901 179 L HN 0.304 nan 8.230 nan 0.000 0.433 180 W N 0.345 121.683 121.300 0.063 0.000 2.335 180 W HA -0.271 4.388 4.660 -0.002 0.000 0.311 180 W C 2.325 178.889 176.519 0.076 0.000 1.213 180 W CA 2.808 60.194 57.345 0.069 0.000 1.274 180 W CB -0.336 29.172 29.460 0.080 0.000 1.148 180 W HN 0.256 nan 8.180 nan 0.000 0.498 181 A N -0.939 122.062 122.820 0.301 0.000 1.897 181 A HA -0.172 4.147 4.320 -0.001 0.000 0.215 181 A C 1.693 179.290 177.584 0.022 0.000 1.181 181 A CA 1.398 53.493 52.037 0.097 0.000 0.620 181 A CB -1.631 17.510 19.000 0.235 0.000 0.821 181 A HN 0.627 nan 8.150 nan 0.000 0.443 182 W N 0.764 122.023 121.300 -0.068 0.000 2.379 182 W HA -0.152 4.507 4.660 -0.001 0.000 0.307 182 W C 2.087 178.563 176.519 -0.071 0.000 1.200 182 W CA 2.007 59.314 57.345 -0.064 0.000 1.297 182 W CB 0.035 29.462 29.460 -0.054 0.000 1.140 182 W HN 0.382 nan 8.180 nan 0.000 0.507 183 E N -0.199 120.132 120.200 0.219 0.000 2.072 183 E HA -0.040 4.309 4.350 -0.001 0.000 0.190 183 E C 2.405 178.876 176.600 -0.215 0.000 0.982 183 E CA 2.056 58.474 56.400 0.031 0.000 0.803 183 E CB -1.070 28.691 29.700 0.101 0.000 0.755 183 E HN 0.205 nan 8.360 nan 0.000 0.453 184 G N 0.775 109.367 108.800 -0.347 0.000 2.440 184 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.218 184 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.218 184 G C 1.477 176.191 174.900 -0.310 0.000 1.154 184 G CA 0.784 45.587 45.100 -0.494 0.000 0.767 184 G HN 0.469 nan 8.290 nan 0.000 0.552 185 W N 1.377 122.427 121.300 -0.418 0.000 2.358 185 W HA -0.079 4.580 4.660 -0.002 0.000 0.303 185 W C 2.647 178.975 176.519 -0.319 0.000 1.208 185 W CA 1.178 58.315 57.345 -0.346 0.000 1.274 185 W CB 0.003 29.256 29.460 -0.345 0.000 1.138 185 W HN 0.176 nan 8.180 nan 0.000 0.515 186 R N 0.302 120.528 120.500 -0.456 0.000 2.075 186 R HA -0.164 4.176 4.340 -0.001 0.000 0.232 186 R C 1.805 177.868 176.300 -0.395 0.000 1.126 186 R CA 2.022 57.820 56.100 -0.503 0.000 0.963 186 R CB -0.620 29.374 30.300 -0.511 0.000 0.858 186 R HN 0.017 nan 8.270 nan 0.000 0.435 187 D N 0.305 120.516 120.400 -0.314 0.000 2.123 187 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 187 D C 1.621 177.768 176.300 -0.254 0.000 0.992 187 D CA 1.298 55.157 54.000 -0.235 0.000 0.833 187 D CB 0.090 40.768 40.800 -0.204 0.000 0.954 187 D HN 0.061 nan 8.370 nan 0.000 0.455 188 K N -0.088 120.106 120.400 -0.343 0.000 2.168 188 K HA 0.237 4.557 4.320 -0.001 0.000 0.201 188 K C 1.889 178.229 176.600 -0.433 0.000 1.049 188 K CA 0.682 56.773 56.287 -0.326 0.000 0.974 188 K CB -0.139 32.196 32.500 -0.276 0.000 0.792 188 K HN 0.057 nan 8.250 nan 0.000 0.463 189 A N 0.892 123.248 122.820 -0.774 0.000 1.871 189 A HA 0.136 4.456 4.320 -0.001 0.000 0.211 189 A C 2.387 179.713 177.584 -0.431 0.000 1.207 189 A CA 1.426 52.983 52.037 -0.800 0.000 0.620 189 A CB -1.016 16.984 19.000 -1.667 0.000 0.860 189 A HN 0.286 nan 8.150 nan 0.000 0.450 190 G N -0.134 108.389 108.800 -0.462 0.000 2.433 190 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.216 190 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.216 190 G C 1.743 176.609 174.900 -0.058 0.000 1.186 190 G CA 0.896 45.834 45.100 -0.270 0.000 0.779 190 G HN 0.508 nan 8.290 nan 0.000 0.543 191 R N 0.503 120.945 120.500 -0.097 0.000 2.096 191 R HA 0.004 4.343 4.340 -0.001 0.000 0.235 191 R C 2.941 179.234 176.300 -0.011 0.000 1.127 191 R CA 1.081 57.166 56.100 -0.026 0.000 0.968 191 R CB -0.348 29.913 30.300 -0.066 0.000 0.861 191 R HN 0.362 nan 8.270 nan 0.000 0.440 192 A N 1.037 123.837 122.820 -0.034 0.000 2.015 192 A HA -0.087 4.233 4.320 -0.001 0.000 0.219 192 A C 1.936 179.599 177.584 0.132 0.000 1.163 192 A CA 0.955 53.001 52.037 0.015 0.000 0.646 192 A CB -0.171 18.829 19.000 0.000 0.000 0.806 192 A HN 0.086 nan 8.150 nan 0.000 0.448 193 I N -0.700 119.976 120.570 0.177 0.000 2.617 193 I HA -0.098 4.071 4.170 -0.001 0.000 0.256 193 I C 2.222 178.464 176.117 0.209 0.000 1.167 193 I CA 0.655 62.148 61.300 0.322 0.000 1.469 193 I CB -1.150 37.029 38.000 0.297 0.000 1.098 193 I HN 0.317 nan 8.210 nan 0.000 0.436 194 L N 1.804 123.050 121.223 0.038 0.000 2.081 194 L HA -0.252 4.087 4.340 -0.001 0.000 0.212 194 L C 2.678 179.457 176.870 -0.153 0.000 1.080 194 L CA 2.085 56.778 54.840 -0.244 0.000 0.754 194 L CB -0.859 41.118 42.059 -0.137 0.000 0.893 194 L HN 0.485 nan 8.230 nan 0.000 0.433 195 Q N -2.114 117.566 119.800 -0.199 0.000 2.226 195 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 195 Q C 1.886 177.695 176.000 -0.319 0.000 0.975 195 Q CA 2.139 57.746 55.803 -0.327 0.000 0.866 195 Q CB -0.679 27.752 28.738 -0.513 0.000 0.915 195 Q HN 0.527 nan 8.270 nan 0.000 0.440 196 F N -1.248 118.728 119.950 0.044 0.000 2.473 196 F HA 0.084 4.610 4.527 -0.001 0.000 0.294 196 F C 1.852 177.731 175.800 0.133 0.000 1.103 196 F CA 0.097 58.144 58.000 0.079 0.000 1.442 196 F CB -0.116 38.926 39.000 0.070 0.000 1.097 196 F HN -0.016 nan 8.300 nan 0.000 0.547 197 Y N 1.596 121.976 120.300 0.134 0.000 2.145 197 Y HA -0.102 4.447 4.550 -0.001 0.000 0.286 197 Y C -0.674 175.381 175.900 0.258 0.000 1.145 197 Y CA 1.537 59.718 58.100 0.135 0.000 1.148 197 Y CB -1.675 36.643 38.460 -0.237 0.000 0.981 197 Y HN -0.076 nan 8.280 nan 0.000 0.507 198 P HA -0.192 nan 4.420 nan 0.000 0.215 198 P C 1.356 178.727 177.300 0.119 0.000 1.153 198 P CA 2.110 65.346 63.100 0.226 0.000 0.853 198 P CB 0.042 31.832 31.700 0.151 0.000 0.788 199 K N -1.172 119.304 120.400 0.127 0.000 2.057 199 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 199 K C 2.170 178.846 176.600 0.126 0.000 1.050 199 K CA 1.134 57.487 56.287 0.110 0.000 0.935 199 K CB -1.318 31.262 32.500 0.133 0.000 0.715 199 K HN 0.053 nan 8.250 nan 0.000 0.439 200 Y N 0.245 120.571 120.300 0.044 0.000 2.081 200 Y HA -0.273 4.276 4.550 -0.001 0.000 0.280 200 Y C 1.695 177.575 175.900 -0.034 0.000 1.163 200 Y CA 1.944 60.068 58.100 0.041 0.000 1.135 200 Y CB -0.637 37.773 38.460 -0.084 0.000 0.970 200 Y HN -0.130 nan 8.280 nan 0.000 0.498 201 V N 1.261 120.992 119.914 -0.306 0.000 2.287 201 V HA -0.343 3.776 4.120 -0.001 0.000 0.248 201 V C 2.492 178.441 176.094 -0.243 0.000 1.053 201 V CA 2.369 64.493 62.300 -0.294 0.000 1.027 201 V CB -0.867 30.939 31.823 -0.029 0.000 0.646 201 V HN 0.588 nan 8.190 nan 0.000 0.447 202 E N -0.054 120.064 120.200 -0.136 0.000 2.058 202 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 202 E C 2.202 178.678 176.600 -0.207 0.000 0.997 202 E CA 1.747 58.071 56.400 -0.127 0.000 0.801 202 E CB -0.134 29.530 29.700 -0.060 0.000 0.746 202 E HN 0.588 nan 8.360 nan 0.000 0.450 203 L N 0.546 121.627 121.223 -0.236 0.000 2.072 203 L HA -0.077 4.262 4.340 -0.001 0.000 0.205 203 L C 2.715 179.205 176.870 -0.632 0.000 1.079 203 L CA 0.583 55.212 54.840 -0.351 0.000 0.752 203 L CB -0.249 41.671 42.059 -0.231 0.000 0.906 203 L HN 0.260 nan 8.230 nan 0.000 0.436 204 I N 0.082 120.207 120.570 -0.743 0.000 2.315 204 I HA -0.274 3.895 4.170 -0.001 0.000 0.248 204 I C 2.190 177.930 176.117 -0.628 0.000 1.117 204 I CA 1.136 61.961 61.300 -0.791 0.000 1.404 204 I CB -0.044 37.468 38.000 -0.813 0.000 1.071 204 I HN 0.346 nan 8.210 nan 0.000 0.419 205 N N 0.691 119.062 118.700 -0.548 0.000 2.120 205 N HA -0.267 4.473 4.740 -0.001 0.000 0.188 205 N C 1.699 177.039 175.510 -0.284 0.000 1.024 205 N CA 1.263 54.072 53.050 -0.403 0.000 0.852 205 N CB -0.401 37.919 38.487 -0.277 0.000 1.003 205 N HN 0.510 nan 8.380 nan 0.000 0.424 206 Q N 0.407 120.047 119.800 -0.267 0.000 2.050 206 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 206 Q C 1.889 177.774 176.000 -0.192 0.000 0.980 206 Q CA 1.729 57.413 55.803 -0.199 0.000 0.840 206 Q CB -0.119 28.510 28.738 -0.181 0.000 0.898 206 Q HN 0.352 nan 8.270 nan 0.000 0.424 207 A N 0.856 123.520 122.820 -0.260 0.000 1.883 207 A HA -0.201 4.118 4.320 -0.001 0.000 0.217 207 A C 2.299 179.806 177.584 -0.127 0.000 1.186 207 A CA 1.967 53.880 52.037 -0.206 0.000 0.624 207 A CB -1.124 17.705 19.000 -0.286 0.000 0.822 207 A HN 0.587 nan 8.150 nan 0.000 0.444 208 A N -0.376 122.346 122.820 -0.164 0.000 1.883 208 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 208 A C 2.260 179.863 177.584 0.031 0.000 1.186 208 A CA 1.632 53.635 52.037 -0.057 0.000 0.624 208 A CB -0.518 18.364 19.000 -0.195 0.000 0.822 208 A HN 0.555 nan 8.150 nan 0.000 0.444 209 R N -0.693 119.775 120.500 -0.054 0.000 2.096 209 R HA -0.048 4.291 4.340 -0.001 0.000 0.235 209 R C 1.887 178.156 176.300 -0.053 0.000 1.127 209 R CA 1.420 57.491 56.100 -0.049 0.000 0.968 209 R CB -0.521 29.735 30.300 -0.074 0.000 0.861 209 R HN 0.517 nan 8.270 nan 0.000 0.440 210 L N 0.878 122.066 121.223 -0.058 0.000 2.456 210 L HA -0.099 4.240 4.340 -0.001 0.000 0.224 210 L C 1.148 177.992 176.870 -0.042 0.000 1.148 210 L CA 0.679 55.487 54.840 -0.053 0.000 0.825 210 L CB -0.181 41.844 42.059 -0.057 0.000 0.937 210 L HN 0.194 nan 8.230 nan 0.000 0.450 211 N N -0.221 118.467 118.700 -0.019 0.000 2.203 211 N HA 0.115 4.855 4.740 -0.001 0.000 0.207 211 N C 1.209 176.611 175.510 -0.181 0.000 1.130 211 N CA 0.892 53.929 53.050 -0.023 0.000 0.861 211 N CB 1.325 39.876 38.487 0.106 0.000 1.005 211 N HN 0.323 nan 8.380 nan 0.000 0.507 212 G N 0.351 109.039 108.800 -0.187 0.000 2.159 212 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.227 212 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.227 212 G C -0.287 174.387 174.900 -0.378 0.000 0.986 212 G CA -0.211 44.717 45.100 -0.287 0.000 0.651 212 G HN 0.320 nan 8.290 nan 0.000 0.523 213 Y N -1.222 119.040 120.300 -0.064 0.000 2.458 213 Y HA 0.540 5.089 4.550 -0.001 0.000 0.322 213 Y C 1.648 177.493 175.900 -0.091 0.000 1.259 213 Y CA -0.336 57.719 58.100 -0.075 0.000 1.302 213 Y CB 1.426 39.834 38.460 -0.087 0.000 1.314 213 Y HN -0.105 nan 8.280 nan 0.000 0.509 214 V N 0.038 120.008 119.914 0.092 0.000 2.725 214 V HA -0.031 4.088 4.120 -0.001 0.000 0.247 214 V C -0.540 175.530 176.094 -0.040 0.000 1.058 214 V CA 1.815 64.117 62.300 0.002 0.000 1.080 214 V CB -0.533 31.286 31.823 -0.007 0.000 0.713 214 V HN 0.966 nan 8.190 nan 0.000 0.465 215 D N -3.762 116.596 120.400 -0.070 0.000 2.692 215 D HA 0.440 5.079 4.640 -0.001 0.000 0.290 215 D C 0.552 176.649 176.300 -0.338 0.000 1.281 215 D CA 0.046 53.939 54.000 -0.178 0.000 0.804 215 D CB 1.000 41.728 40.800 -0.121 0.000 1.331 215 D HN -0.070 nan 8.370 nan 0.000 0.432 216 A N -0.097 122.334 122.820 -0.649 0.000 1.978 216 A HA 0.123 4.442 4.320 -0.001 0.000 0.220 216 A C 2.017 179.006 177.584 -0.990 0.000 1.170 216 A CA 2.176 53.564 52.037 -1.081 0.000 0.636 216 A CB -1.532 16.248 19.000 -2.033 0.000 0.810 216 A HN 0.663 nan 8.150 nan 0.000 0.448 217 G N -0.241 108.260 108.800 -0.500 0.000 2.402 217 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.216 217 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.216 217 G C 1.310 176.045 174.900 -0.276 0.000 1.162 217 G CA 1.332 46.371 45.100 -0.102 0.000 0.777 217 G HN 0.535 nan 8.290 nan 0.000 0.539 218 D N 0.492 120.730 120.400 -0.270 0.000 2.092 218 D HA -0.153 4.486 4.640 -0.001 0.000 0.193 218 D C 2.636 178.730 176.300 -0.343 0.000 0.994 218 D CA 1.666 55.535 54.000 -0.219 0.000 0.828 218 D CB -0.513 40.244 40.800 -0.071 0.000 0.963 218 D HN 0.187 nan 8.370 nan 0.000 0.450 219 S N -1.197 114.137 115.700 -0.610 0.000 2.365 219 S HA -0.175 4.295 4.470 -0.001 0.000 0.225 219 S C 1.875 176.287 174.600 -0.313 0.000 1.039 219 S CA 1.622 59.188 58.200 -1.055 0.000 1.033 219 S CB -0.581 62.165 63.200 -0.757 0.000 0.887 219 S HN 0.431 nan 8.310 nan 0.000 0.447 220 W N 1.803 122.942 121.300 -0.269 0.000 2.355 220 W HA 0.101 4.760 4.660 -0.001 0.000 0.309 220 W C 2.660 179.206 176.519 0.045 0.000 1.206 220 W CA 0.413 57.731 57.345 -0.045 0.000 1.284 220 W CB -1.166 28.388 29.460 0.156 0.000 1.145 220 W HN 0.354 nan 8.180 nan 0.000 0.502 221 R N 0.446 121.076 120.500 0.217 0.000 2.120 221 R HA -0.141 4.199 4.340 -0.001 0.000 0.234 221 R C 2.299 178.739 176.300 0.234 0.000 1.123 221 R CA 1.778 57.980 56.100 0.171 0.000 0.975 221 R CB -0.882 29.292 30.300 -0.209 0.000 0.866 221 R HN 0.187 nan 8.270 nan 0.000 0.446 222 S N 0.629 116.393 115.700 0.107 0.000 2.469 222 S HA -0.133 4.336 4.470 -0.001 0.000 0.238 222 S C 1.928 176.639 174.600 0.184 0.000 0.998 222 S CA 0.841 59.134 58.200 0.154 0.000 0.957 222 S CB -0.183 63.103 63.200 0.143 0.000 0.764 222 S HN 0.242 nan 8.310 nan 0.000 0.514 223 M N -0.335 119.332 119.600 0.111 0.000 2.346 223 M HA -0.086 4.393 4.480 -0.001 0.000 0.263 223 M C 1.159 177.430 176.300 -0.047 0.000 1.064 223 M CA 1.525 56.800 55.300 -0.042 0.000 1.083 223 M CB -0.575 31.879 32.600 -0.243 0.000 1.399 223 M HN 0.422 nan 8.290 nan 0.000 0.435 224 Y N 0.117 120.562 120.300 0.242 0.000 2.500 224 Y HA 0.044 4.593 4.550 -0.001 0.000 0.270 224 Y C 0.569 176.730 175.900 0.435 0.000 1.134 224 Y CA 0.041 58.339 58.100 0.331 0.000 1.293 224 Y CB -0.010 38.607 38.460 0.262 0.000 1.063 224 Y HN 0.245 nan 8.280 nan 0.000 0.534 225 E N 0.509 120.958 120.200 0.414 0.000 2.328 225 E HA -0.206 4.143 4.350 -0.001 0.000 0.233 225 E C -0.681 176.086 176.600 0.278 0.000 1.219 225 E CA 0.794 57.370 56.400 0.293 0.000 0.717 225 E CB -1.872 27.957 29.700 0.215 0.000 1.210 225 E HN 0.201 nan 8.360 nan 0.000 0.381 226 T N -0.285 114.464 114.554 0.326 0.000 3.009 226 T HA 0.263 4.612 4.350 -0.001 0.000 0.346 226 T C -1.845 172.974 174.700 0.198 0.000 1.092 226 T CA -1.228 61.051 62.100 0.299 0.000 1.080 226 T CB 1.569 70.731 68.868 0.491 0.000 1.037 226 T HN -0.155 nan 8.240 nan 0.000 0.487 227 P HA -0.124 nan 4.420 nan 0.000 0.216 227 P C 1.509 178.860 177.300 0.087 0.000 1.150 227 P CA 0.888 64.044 63.100 0.093 0.000 0.843 227 P CB 0.122 31.863 31.700 0.070 0.000 0.787 228 S N -1.806 113.960 115.700 0.110 0.000 2.650 228 S HA 0.035 4.504 4.470 -0.001 0.000 0.219 228 S C 1.608 176.282 174.600 0.124 0.000 0.960 228 S CA -0.209 58.056 58.200 0.109 0.000 0.925 228 S CB -1.200 62.071 63.200 0.119 0.000 0.775 228 S HN -0.069 nan 8.310 nan 0.000 0.525 229 L N 2.489 123.785 121.223 0.122 0.000 1.997 229 L HA -0.176 4.164 4.340 -0.001 0.000 0.216 229 L C 2.414 179.341 176.870 0.094 0.000 1.074 229 L CA 2.074 56.979 54.840 0.109 0.000 0.763 229 L CB -0.803 41.292 42.059 0.060 0.000 0.890 229 L HN 0.353 nan 8.230 nan 0.000 0.434 230 E N -1.127 119.104 120.200 0.052 0.000 2.077 230 E HA -0.280 4.070 4.350 -0.001 0.000 0.193 230 E C 2.150 178.834 176.600 0.140 0.000 0.989 230 E CA 1.632 58.087 56.400 0.092 0.000 0.800 230 E CB -0.191 29.529 29.700 0.032 0.000 0.746 230 E HN 0.685 nan 8.360 nan 0.000 0.452 231 Q N 0.488 120.359 119.800 0.118 0.000 2.083 231 Q HA -0.147 4.192 4.340 -0.001 0.000 0.198 231 Q C 1.824 177.914 176.000 0.149 0.000 0.969 231 Q CA 1.085 56.964 55.803 0.127 0.000 0.838 231 Q CB 0.065 28.864 28.738 0.103 0.000 0.900 231 Q HN 0.217 nan 8.270 nan 0.000 0.436 232 D N 0.870 121.366 120.400 0.159 0.000 2.104 232 D HA -0.160 4.480 4.640 -0.001 0.000 0.194 232 D C 1.962 178.392 176.300 0.217 0.000 0.994 232 D CA 1.090 55.203 54.000 0.187 0.000 0.830 232 D CB -0.181 40.747 40.800 0.213 0.000 0.959 232 D HN 0.215 nan 8.370 nan 0.000 0.452 233 L N 0.445 121.804 121.223 0.226 0.000 2.056 233 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 233 L C 2.478 179.478 176.870 0.217 0.000 1.078 233 L CA 0.975 55.981 54.840 0.276 0.000 0.749 233 L CB -0.391 41.794 42.059 0.208 0.000 0.901 233 L HN -0.039 nan 8.230 nan 0.000 0.433 234 E N 0.766 121.092 120.200 0.210 0.000 2.085 234 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 234 E C 2.276 178.964 176.600 0.147 0.000 0.994 234 E CA 1.461 57.949 56.400 0.146 0.000 0.801 234 E CB -0.002 29.815 29.700 0.195 0.000 0.743 234 E HN 0.208 nan 8.360 nan 0.000 0.453 235 R N -0.297 120.296 120.500 0.155 0.000 2.083 235 R HA -0.114 4.225 4.340 -0.001 0.000 0.237 235 R C 2.589 178.971 176.300 0.137 0.000 1.137 235 R CA 1.622 57.803 56.100 0.135 0.000 0.951 235 R CB -0.513 29.864 30.300 0.129 0.000 0.851 235 R HN 0.265 nan 8.270 nan 0.000 0.434 236 L N -0.497 120.844 121.223 0.197 0.000 2.046 236 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 236 L C 2.341 179.341 176.870 0.217 0.000 1.077 236 L CA 1.152 56.120 54.840 0.213 0.000 0.747 236 L CB -0.482 41.760 42.059 0.306 0.000 0.896 236 L HN 0.135 nan 8.230 nan 0.000 0.432 237 F N 0.692 120.704 119.950 0.102 0.000 2.102 237 F HA -0.249 4.277 4.527 -0.002 0.000 0.298 237 F C 2.724 178.486 175.800 -0.064 0.000 1.105 237 F CA 1.556 59.505 58.000 -0.084 0.000 1.239 237 F CB -0.238 38.311 39.000 -0.752 0.000 0.991 237 F HN 0.033 nan 8.300 nan 0.000 0.474 238 Q N 0.725 120.488 119.800 -0.063 0.000 2.135 238 Q HA -0.221 4.118 4.340 -0.001 0.000 0.204 238 Q C 2.118 178.037 176.000 -0.136 0.000 0.981 238 Q CA 1.922 57.657 55.803 -0.113 0.000 0.856 238 Q CB -0.609 28.154 28.738 0.040 0.000 0.902 238 Q HN 0.635 nan 8.270 nan 0.000 0.425 239 E N 0.074 120.231 120.200 -0.072 0.000 2.153 239 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 239 E C 1.607 178.153 176.600 -0.091 0.000 0.988 239 E CA 0.475 56.844 56.400 -0.051 0.000 0.811 239 E CB 0.028 29.725 29.700 -0.004 0.000 0.746 239 E HN 0.223 nan 8.360 nan 0.000 0.466 240 L N 0.999 122.125 121.223 -0.161 0.000 2.591 240 L HA -0.049 4.291 4.340 -0.001 0.000 0.228 240 L C 2.217 178.980 176.870 -0.178 0.000 1.133 240 L CA 0.075 54.817 54.840 -0.164 0.000 0.880 240 L CB 0.139 42.097 42.059 -0.168 0.000 1.033 240 L HN 0.028 nan 8.230 nan 0.000 0.450 241 Q N 0.269 119.928 119.800 -0.235 0.000 2.020 241 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 241 Q C -0.256 175.716 176.000 -0.047 0.000 0.982 241 Q CA 1.750 57.450 55.803 -0.171 0.000 0.838 241 Q CB -1.314 27.306 28.738 -0.197 0.000 0.899 241 Q HN 0.366 nan 8.270 nan 0.000 0.423 242 P HA -0.160 nan 4.420 nan 0.000 0.216 242 P C 1.515 178.812 177.300 -0.006 0.000 1.153 242 P CA 0.899 63.986 63.100 -0.022 0.000 0.858 242 P CB -0.056 31.633 31.700 -0.019 0.000 0.789 243 L N -1.922 119.293 121.223 -0.013 0.000 2.027 243 L HA -0.134 4.205 4.340 -0.001 0.000 0.206 243 L C 2.368 179.240 176.870 0.003 0.000 1.074 243 L CA 1.747 56.573 54.840 -0.024 0.000 0.745 243 L CB -1.777 40.239 42.059 -0.072 0.000 0.898 243 L HN -0.059 nan 8.230 nan 0.000 0.433 244 Y N -0.307 119.948 120.300 -0.075 0.000 2.145 244 Y HA -0.234 4.315 4.550 -0.001 0.000 0.286 244 Y C 2.348 178.329 175.900 0.135 0.000 1.145 244 Y CA 1.768 59.862 58.100 -0.009 0.000 1.148 244 Y CB -0.328 38.120 38.460 -0.021 0.000 0.981 244 Y HN 0.146 nan 8.280 nan 0.000 0.507 245 L N 0.105 121.342 121.223 0.022 0.000 2.042 245 L HA -0.275 4.064 4.340 -0.001 0.000 0.210 245 L C 2.282 179.178 176.870 0.042 0.000 1.076 245 L CA 1.503 56.349 54.840 0.009 0.000 0.749 245 L CB -0.684 41.374 42.059 -0.003 0.000 0.893 245 L HN 0.319 nan 8.230 nan 0.000 0.432 246 N N 0.096 118.814 118.700 0.030 0.000 2.188 246 N HA -0.162 4.577 4.740 -0.001 0.000 0.184 246 N C 1.868 177.445 175.510 0.112 0.000 1.018 246 N CA 1.129 54.217 53.050 0.063 0.000 0.858 246 N CB -0.079 38.431 38.487 0.038 0.000 0.989 246 N HN 0.191 nan 8.380 nan 0.000 0.426 247 L N 1.348 122.609 121.223 0.063 0.000 2.027 247 L HA -0.133 4.207 4.340 -0.001 0.000 0.206 247 L C 2.413 179.432 176.870 0.248 0.000 1.074 247 L CA 1.739 56.661 54.840 0.136 0.000 0.745 247 L CB -0.968 41.106 42.059 0.026 0.000 0.898 247 L HN 0.263 nan 8.230 nan 0.000 0.433 248 H N -0.094 118.968 119.070 -0.012 0.000 2.319 248 H HA -0.178 4.377 4.556 -0.001 0.000 0.299 248 H C 1.902 177.312 175.328 0.137 0.000 1.092 248 H CA 1.926 58.031 56.048 0.096 0.000 1.302 248 H CB 0.063 29.761 29.762 -0.108 0.000 1.373 248 H HN 0.477 nan 8.280 nan 0.000 0.497 249 A N 0.267 123.258 122.820 0.285 0.000 1.933 249 A HA -0.215 4.104 4.320 -0.001 0.000 0.218 249 A C 2.412 180.062 177.584 0.110 0.000 1.175 249 A CA 1.456 53.608 52.037 0.191 0.000 0.628 249 A CB -1.227 17.878 19.000 0.174 0.000 0.814 249 A HN 0.642 nan 8.150 nan 0.000 0.444 250 Y N 0.553 120.883 120.300 0.051 0.000 2.163 250 Y HA -0.159 4.391 4.550 -0.001 0.000 0.288 250 Y C 2.331 178.241 175.900 0.017 0.000 1.136 250 Y CA 1.969 60.095 58.100 0.043 0.000 1.147 250 Y CB -0.359 38.169 38.460 0.115 0.000 0.987 250 Y HN 0.056 nan 8.280 nan 0.000 0.509 251 V N 1.190 121.112 119.914 0.015 0.000 2.343 251 V HA -0.306 3.813 4.120 -0.001 0.000 0.247 251 V C 2.542 178.500 176.094 -0.226 0.000 1.051 251 V CA 2.256 64.487 62.300 -0.115 0.000 1.036 251 V CB -0.787 31.051 31.823 0.025 0.000 0.654 251 V HN 0.375 nan 8.190 nan 0.000 0.451 252 R N 0.213 120.575 120.500 -0.231 0.000 2.091 252 R HA -0.256 4.084 4.340 -0.001 0.000 0.238 252 R C 2.447 178.661 176.300 -0.143 0.000 1.136 252 R CA 2.102 58.074 56.100 -0.213 0.000 0.959 252 R CB -0.232 29.943 30.300 -0.208 0.000 0.856 252 R HN 0.389 nan 8.270 nan 0.000 0.437 253 R N 0.468 120.856 120.500 -0.186 0.000 2.081 253 R HA -0.024 4.316 4.340 -0.001 0.000 0.235 253 R C 1.954 178.141 176.300 -0.188 0.000 1.131 253 R CA 1.906 57.879 56.100 -0.211 0.000 0.960 253 R CB -0.664 29.463 30.300 -0.289 0.000 0.856 253 R HN 0.317 nan 8.270 nan 0.000 0.436 254 A N 0.425 123.072 122.820 -0.288 0.000 1.930 254 A HA -0.041 4.278 4.320 -0.001 0.000 0.217 254 A C 2.232 179.763 177.584 -0.088 0.000 1.175 254 A CA 1.353 53.247 52.037 -0.239 0.000 0.627 254 A CB -0.528 18.267 19.000 -0.341 0.000 0.815 254 A HN 0.361 nan 8.150 nan 0.000 0.443 255 L N -1.508 119.688 121.223 -0.046 0.000 2.093 255 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 255 L C 2.697 179.670 176.870 0.172 0.000 1.085 255 L CA 1.459 56.368 54.840 0.114 0.000 0.755 255 L CB -0.752 41.343 42.059 0.060 0.000 0.904 255 L HN 0.583 nan 8.230 nan 0.000 0.435 256 H N 0.964 120.029 119.070 -0.009 0.000 2.319 256 H HA -0.201 4.354 4.556 -0.001 0.000 0.297 256 H C 2.471 177.783 175.328 -0.027 0.000 1.097 256 H CA 2.019 58.055 56.048 -0.021 0.000 1.285 256 H CB 0.172 29.882 29.762 -0.087 0.000 1.368 256 H HN 0.187 nan 8.280 nan 0.000 0.495 257 R N -0.997 119.542 120.500 0.066 0.000 2.097 257 R HA -0.212 4.127 4.340 -0.001 0.000 0.236 257 R C 2.621 178.878 176.300 -0.072 0.000 1.135 257 R CA 2.202 58.294 56.100 -0.014 0.000 0.934 257 R CB -0.456 29.822 30.300 -0.038 0.000 0.846 257 R HN 0.450 nan 8.270 nan 0.000 0.431 258 H N -1.420 117.552 119.070 -0.164 0.000 2.333 258 H HA -0.070 4.485 4.556 -0.001 0.000 0.302 258 H C 1.187 176.306 175.328 -0.349 0.000 1.075 258 H CA 1.812 57.673 56.048 -0.312 0.000 1.348 258 H CB 0.062 29.531 29.762 -0.489 0.000 1.393 258 H HN 0.267 nan 8.280 nan 0.000 0.509 259 Y N -0.274 120.000 120.300 -0.044 0.000 2.500 259 Y HA 0.279 4.828 4.550 -0.002 0.000 0.270 259 Y C 1.025 176.920 175.900 -0.007 0.000 1.134 259 Y CA 0.250 58.331 58.100 -0.031 0.000 1.293 259 Y CB 0.897 39.433 38.460 0.126 0.000 1.063 259 Y HN 0.483 nan 8.280 nan 0.000 0.534 260 G N -0.276 108.514 108.800 -0.016 0.000 2.650 260 G HA2 0.034 3.993 3.960 -0.001 0.000 0.686 260 G HA3 0.034 3.993 3.960 -0.001 0.000 0.686 260 G C 0.514 175.217 174.900 -0.328 0.000 1.205 260 G CA -0.578 44.435 45.100 -0.144 0.000 0.781 260 G HN 0.316 nan 8.290 nan 0.000 0.648 261 A N 0.246 122.772 122.820 -0.489 0.000 2.019 261 A HA -0.018 4.301 4.320 -0.001 0.000 0.219 261 A C 2.183 179.633 177.584 -0.224 0.000 1.164 261 A CA 2.325 54.080 52.037 -0.470 0.000 0.644 261 A CB -0.241 18.631 19.000 -0.215 0.000 0.805 261 A HN 0.737 nan 8.150 nan 0.000 0.449 262 Q N -0.978 118.639 119.800 -0.304 0.000 2.436 262 Q HA -0.097 4.242 4.340 -0.001 0.000 0.209 262 Q C 0.517 176.253 176.000 -0.439 0.000 0.965 262 Q CA 1.222 56.787 55.803 -0.397 0.000 0.910 262 Q CB -0.166 28.236 28.738 -0.560 0.000 0.980 262 Q HN 0.976 nan 8.270 nan 0.000 0.491 263 H N -1.630 117.444 119.070 0.006 0.000 3.058 263 H HA 0.260 4.815 4.556 -0.001 0.000 0.266 263 H C -0.173 175.302 175.328 0.246 0.000 1.135 263 H CA -0.256 55.842 56.048 0.084 0.000 1.174 263 H CB 1.381 31.069 29.762 -0.124 0.000 1.581 263 H HN -0.053 nan 8.280 nan 0.000 0.553 264 I N 1.715 122.383 120.570 0.163 0.000 2.478 264 I HA 0.134 4.304 4.170 -0.001 0.000 0.287 264 I C -0.564 175.414 176.117 -0.231 0.000 1.042 264 I CA -0.768 60.542 61.300 0.018 0.000 1.067 264 I CB 1.509 39.570 38.000 0.103 0.000 1.233 264 I HN 0.176 nan 8.210 nan 0.000 0.431 265 N N 6.514 124.712 118.700 -0.837 0.000 2.420 265 N HA 0.280 5.019 4.740 -0.001 0.000 0.249 265 N C 0.679 175.924 175.510 -0.441 0.000 1.033 265 N CA -0.214 52.311 53.050 -0.875 0.000 0.944 265 N CB 1.103 38.488 38.487 -1.838 0.000 1.113 265 N HN 0.568 nan 8.380 nan 0.000 0.502 266 L N 2.357 123.418 121.223 -0.269 0.000 2.549 266 L HA -0.010 4.329 4.340 -0.001 0.000 0.229 266 L C 0.924 177.726 176.870 -0.112 0.000 1.158 266 L CA 0.955 55.676 54.840 -0.199 0.000 0.842 266 L CB 0.007 41.901 42.059 -0.274 0.000 0.952 266 L HN 0.580 nan 8.230 nan 0.000 0.452 267 E N -0.756 119.369 120.200 -0.124 0.000 2.603 267 E HA 0.207 4.556 4.350 -0.001 0.000 0.211 267 E C 0.724 177.355 176.600 0.051 0.000 0.995 267 E CA -0.180 56.207 56.400 -0.021 0.000 0.990 267 E CB 0.909 30.587 29.700 -0.036 0.000 1.036 267 E HN 0.356 nan 8.360 nan 0.000 0.475 268 G N 2.007 110.799 108.800 -0.014 0.000 3.013 268 G HA2 0.445 4.405 3.960 -0.001 0.000 0.278 268 G HA3 0.445 4.405 3.960 -0.001 0.000 0.278 268 G C -2.801 172.259 174.900 0.266 0.000 1.353 268 G CA -1.494 43.679 45.100 0.121 0.000 1.043 268 G HN -0.202 nan 8.290 nan 0.000 0.523 269 P HA 0.268 nan 4.420 nan 0.000 0.272 269 P C -0.363 177.080 177.300 0.239 0.000 1.230 269 P CA -0.134 63.091 63.100 0.209 0.000 0.788 269 P CB 1.274 33.044 31.700 0.116 0.000 0.949 270 I N 2.672 123.316 120.570 0.124 0.000 2.395 270 I HA 0.192 4.362 4.170 -0.001 0.000 0.289 270 I C -2.014 174.138 176.117 0.059 0.000 1.023 270 I CA -2.623 58.692 61.300 0.026 0.000 1.350 270 I CB 0.743 38.623 38.000 -0.200 0.000 1.409 270 I HN 0.104 nan 8.210 nan 0.000 0.507 271 P HA -0.038 nan 4.420 nan 0.000 0.264 271 P C 0.235 177.472 177.300 -0.105 0.000 1.193 271 P CA 0.085 63.186 63.100 0.002 0.000 0.763 271 P CB 0.813 32.566 31.700 0.090 0.000 0.810 272 A N 3.749 126.498 122.820 -0.117 0.000 2.216 272 A HA -0.159 4.160 4.320 -0.001 0.000 0.214 272 A C 1.364 178.869 177.584 -0.132 0.000 1.160 272 A CA 1.051 53.079 52.037 -0.014 0.000 0.725 272 A CB -1.110 18.104 19.000 0.356 0.000 0.784 272 A HN 0.716 nan 8.150 nan 0.000 0.472 273 H N -1.510 117.192 119.070 -0.614 0.000 2.551 273 H HA 0.307 4.862 4.556 -0.001 0.000 0.271 273 H C 0.833 175.935 175.328 -0.377 0.000 0.984 273 H CA -0.034 55.698 56.048 -0.527 0.000 1.164 273 H CB -0.534 28.777 29.762 -0.752 0.000 1.437 273 H HN 0.430 nan 8.280 nan 0.000 0.550 274 L N 0.819 121.644 121.223 -0.664 0.000 2.728 274 L HA 0.137 4.476 4.340 -0.001 0.000 0.238 274 L C 0.734 177.376 176.870 -0.381 0.000 1.143 274 L CA -0.079 54.362 54.840 -0.664 0.000 0.937 274 L CB 0.400 41.979 42.059 -0.800 0.000 1.225 274 L HN 0.117 nan 8.230 nan 0.000 0.507 275 L N 0.009 121.040 121.223 -0.321 0.000 2.667 275 L HA 0.362 4.701 4.340 -0.001 0.000 0.232 275 L C 1.505 178.324 176.870 -0.086 0.000 1.138 275 L CA 0.801 55.438 54.840 -0.339 0.000 0.921 275 L CB -0.637 41.060 42.059 -0.604 0.000 1.180 275 L HN 0.422 nan 8.230 nan 0.000 0.487 276 G N 0.911 109.678 108.800 -0.054 0.000 2.176 276 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.253 276 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.253 276 G C 0.307 175.229 174.900 0.036 0.000 0.979 276 G CA 0.383 45.489 45.100 0.011 0.000 0.641 276 G HN 0.433 nan 8.290 nan 0.000 0.530 277 N N -0.785 117.937 118.700 0.038 0.000 2.308 277 N HA 0.401 5.140 4.740 -0.001 0.000 0.283 277 N C 1.153 176.622 175.510 -0.067 0.000 1.105 277 N CA -0.201 52.872 53.050 0.037 0.000 0.840 277 N CB 1.426 40.016 38.487 0.171 0.000 1.633 277 N HN -0.027 nan 8.380 nan 0.000 0.476 278 M N 2.421 121.798 119.600 -0.372 0.000 2.144 278 M HA 0.016 4.496 4.480 -0.001 0.000 0.260 278 M C 0.612 176.506 176.300 -0.676 0.000 1.067 278 M CA 1.810 56.633 55.300 -0.795 0.000 1.095 278 M CB -0.195 31.343 32.600 -1.770 0.000 1.365 278 M HN 0.634 nan 8.290 nan 0.000 0.406 279 W N -0.685 120.681 121.300 0.110 0.000 3.127 279 W HA 0.564 5.223 4.660 -0.001 0.000 0.344 279 W C 1.092 177.646 176.519 0.059 0.000 1.151 279 W CA 0.235 57.629 57.345 0.081 0.000 1.765 279 W CB -0.979 28.414 29.460 -0.112 0.000 1.085 279 W HN 0.413 nan 8.180 nan 0.000 0.596 280 A N 2.078 125.053 122.820 0.258 0.000 2.748 280 A HA -0.342 3.977 4.320 -0.001 0.000 0.297 280 A C 1.686 179.512 177.584 0.402 0.000 1.508 280 A CA 2.044 54.284 52.037 0.338 0.000 0.799 280 A CB -1.976 17.212 19.000 0.312 0.000 1.011 280 A HN 0.626 nan 8.150 nan 0.000 0.500 281 Q N -0.783 119.083 119.800 0.110 0.000 2.354 281 Q HA 0.136 4.475 4.340 -0.001 0.000 0.203 281 Q C 0.629 176.750 176.000 0.202 0.000 0.933 281 Q CA 1.290 57.021 55.803 -0.120 0.000 0.901 281 Q CB -0.052 28.280 28.738 -0.677 0.000 1.007 281 Q HN 1.191 nan 8.270 nan 0.000 0.495 282 T N -3.338 111.378 114.554 0.269 0.000 2.933 282 T HA 0.396 4.745 4.350 -0.001 0.000 0.305 282 T C -0.973 174.002 174.700 0.459 0.000 1.092 282 T CA -0.870 61.368 62.100 0.230 0.000 1.008 282 T CB 0.934 69.891 68.868 0.148 0.000 1.102 282 T HN 0.264 nan 8.240 nan 0.000 0.469 283 W N 1.218 122.597 121.300 0.133 0.000 2.862 283 W HA 0.270 4.929 4.660 -0.001 0.000 0.376 283 W C 1.985 178.569 176.519 0.109 0.000 1.028 283 W CA -0.623 56.789 57.345 0.113 0.000 1.757 283 W CB -0.784 28.751 29.460 0.126 0.000 1.128 283 W HN 0.919 nan 8.180 nan 0.000 0.566 284 S N -0.017 115.860 115.700 0.294 0.000 2.474 284 S HA -0.157 4.312 4.470 -0.001 0.000 0.235 284 S C 1.386 176.103 174.600 0.195 0.000 0.997 284 S CA 1.053 59.386 58.200 0.220 0.000 0.949 284 S CB -0.327 62.951 63.200 0.130 0.000 0.766 284 S HN 0.131 nan 8.310 nan 0.000 0.517 285 N N 2.108 120.906 118.700 0.164 0.000 2.512 285 N HA 0.086 4.825 4.740 -0.001 0.000 0.183 285 N C 1.348 176.922 175.510 0.108 0.000 1.073 285 N CA 1.130 54.251 53.050 0.118 0.000 0.911 285 N CB -0.276 38.259 38.487 0.081 0.000 0.964 285 N HN 0.846 nan 8.380 nan 0.000 0.447 286 I N -2.963 117.681 120.570 0.123 0.000 3.891 286 I HA 0.148 4.317 4.170 -0.001 0.000 0.331 286 I C 1.651 177.826 176.117 0.097 0.000 1.406 286 I CA -0.521 60.818 61.300 0.065 0.000 1.139 286 I CB -0.358 37.641 38.000 -0.002 0.000 1.056 286 I HN -0.208 nan 8.210 nan 0.000 0.399 287 Y N 3.688 124.023 120.300 0.059 0.000 2.102 287 Y HA -0.393 4.157 4.550 -0.001 0.000 0.280 287 Y C 2.350 178.272 175.900 0.037 0.000 1.178 287 Y CA 2.463 60.603 58.100 0.067 0.000 1.146 287 Y CB -0.273 38.229 38.460 0.071 0.000 0.968 287 Y HN 0.611 nan 8.280 nan 0.000 0.504 288 D N -0.118 120.284 120.400 0.004 0.000 2.190 288 D HA -0.249 4.390 4.640 -0.001 0.000 0.200 288 D C 1.844 178.042 176.300 -0.171 0.000 0.992 288 D CA 1.864 55.810 54.000 -0.091 0.000 0.854 288 D CB -0.807 39.984 40.800 -0.015 0.000 0.936 288 D HN 0.524 nan 8.370 nan 0.000 0.462 289 L N 0.505 121.628 121.223 -0.168 0.000 2.418 289 L HA 0.010 4.349 4.340 -0.001 0.000 0.218 289 L C 2.145 178.909 176.870 -0.177 0.000 1.125 289 L CA 0.447 55.172 54.840 -0.192 0.000 0.835 289 L CB 0.245 42.170 42.059 -0.223 0.000 0.953 289 L HN 0.087 nan 8.230 nan 0.000 0.454 290 V N -4.834 114.969 119.914 -0.185 0.000 3.398 290 V HA 0.232 4.351 4.120 -0.001 0.000 0.298 290 V C 0.765 176.802 176.094 -0.096 0.000 1.496 290 V CA -0.466 61.766 62.300 -0.114 0.000 1.044 290 V CB 0.158 31.998 31.823 0.030 0.000 0.880 290 V HN -0.067 nan 8.190 nan 0.000 0.443 291 V N 3.045 122.739 119.914 -0.367 0.000 2.621 291 V HA 0.018 4.137 4.120 -0.001 0.000 0.300 291 V C -0.474 175.528 176.094 -0.154 0.000 1.031 291 V CA 0.370 62.408 62.300 -0.437 0.000 1.210 291 V CB 0.244 31.832 31.823 -0.391 0.000 0.864 291 V HN 0.419 nan 8.190 nan 0.000 0.477 292 P HA -0.073 nan 4.420 nan 0.000 0.215 292 P C 0.193 177.137 177.300 -0.594 0.000 1.157 292 P CA 1.384 64.221 63.100 -0.439 0.000 0.868 292 P CB 0.126 31.243 31.700 -0.971 0.000 0.788 293 F N -1.207 118.700 119.950 -0.072 0.000 2.564 293 F HA 0.320 4.846 4.527 -0.001 0.000 0.361 293 F C -1.626 174.147 175.800 -0.045 0.000 1.161 293 F CA -2.151 55.825 58.000 -0.041 0.000 1.198 293 F CB 1.251 40.199 39.000 -0.086 0.000 1.424 293 F HN -0.062 nan 8.300 nan 0.000 0.517 294 P HA -0.161 nan 4.420 nan 0.000 0.225 294 P C 1.546 178.883 177.300 0.061 0.000 1.148 294 P CA 1.207 64.332 63.100 0.042 0.000 0.779 294 P CB 0.118 31.824 31.700 0.010 0.000 0.780 295 S N -0.619 115.132 115.700 0.085 0.000 2.481 295 S HA 0.091 4.560 4.470 -0.001 0.000 0.231 295 S C 1.323 175.931 174.600 0.014 0.000 0.996 295 S CA 0.295 58.530 58.200 0.058 0.000 0.942 295 S CB -0.799 62.444 63.200 0.072 0.000 0.768 295 S HN 0.128 nan 8.310 nan 0.000 0.520 296 A N 3.656 126.458 122.820 -0.029 0.000 2.880 296 A HA 0.597 4.917 4.320 -0.001 0.000 0.328 296 A C -2.439 175.139 177.584 -0.010 0.000 1.440 296 A CA -1.791 50.125 52.037 -0.202 0.000 1.068 296 A CB 0.125 18.732 19.000 -0.655 0.000 1.163 296 A HN 0.447 nan 8.150 nan 0.000 0.510 297 P HA 0.277 nan 4.420 nan 0.000 0.278 297 P C -0.100 177.334 177.300 0.222 0.000 1.238 297 P CA 0.070 63.260 63.100 0.150 0.000 0.794 297 P CB 1.486 33.251 31.700 0.108 0.000 0.955 298 S N 2.121 117.946 115.700 0.208 0.000 2.568 298 S HA 0.572 5.041 4.470 -0.001 0.000 0.302 298 S C 0.275 174.936 174.600 0.101 0.000 1.082 298 S CA -0.976 57.324 58.200 0.167 0.000 1.009 298 S CB 0.925 64.222 63.200 0.161 0.000 1.069 298 S HN 0.335 nan 8.310 nan 0.000 0.500 299 M N 2.271 121.905 119.600 0.056 0.000 2.249 299 M HA 0.085 4.564 4.480 -0.001 0.000 0.340 299 M C 0.116 176.425 176.300 0.016 0.000 1.166 299 M CA 0.023 55.341 55.300 0.030 0.000 1.115 299 M CB 0.159 32.763 32.600 0.007 0.000 1.606 299 M HN 0.753 nan 8.290 nan 0.000 0.448 300 D N 2.508 122.916 120.400 0.014 0.000 2.357 300 D HA -0.020 4.619 4.640 -0.001 0.000 0.265 300 D C 1.163 177.443 176.300 -0.033 0.000 1.334 300 D CA 0.098 54.098 54.000 0.001 0.000 0.984 300 D CB 0.669 41.474 40.800 0.008 0.000 1.077 300 D HN 0.696 nan 8.370 nan 0.000 0.514 301 T N 0.235 114.756 114.554 -0.055 0.000 2.821 301 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 301 T C 1.821 176.440 174.700 -0.136 0.000 1.046 301 T CA 1.232 63.267 62.100 -0.108 0.000 1.139 301 T CB -0.319 68.477 68.868 -0.120 0.000 0.871 301 T HN 0.271 nan 8.240 nan 0.000 0.454 302 T N 1.713 116.213 114.554 -0.089 0.000 2.708 302 T HA -0.065 4.284 4.350 -0.001 0.000 0.266 302 T C 1.976 176.639 174.700 -0.060 0.000 1.037 302 T CA 1.254 63.308 62.100 -0.076 0.000 1.146 302 T CB -0.308 68.538 68.868 -0.035 0.000 0.865 302 T HN 0.420 nan 8.240 nan 0.000 0.435 303 E N 0.784 120.961 120.200 -0.038 0.000 2.110 303 E HA -0.091 4.258 4.350 -0.001 0.000 0.193 303 E C 2.550 179.132 176.600 -0.030 0.000 0.988 303 E CA 1.048 57.436 56.400 -0.020 0.000 0.804 303 E CB -0.237 29.459 29.700 -0.006 0.000 0.745 303 E HN 0.463 nan 8.360 nan 0.000 0.458 304 A N 1.058 123.841 122.820 -0.061 0.000 1.883 304 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 304 A C 2.245 179.758 177.584 -0.118 0.000 1.186 304 A CA 1.731 53.721 52.037 -0.078 0.000 0.624 304 A CB -0.533 18.403 19.000 -0.107 0.000 0.822 304 A HN 0.173 nan 8.150 nan 0.000 0.444 305 M N -0.784 118.675 119.600 -0.234 0.000 2.086 305 M HA -0.111 4.368 4.480 -0.001 0.000 0.261 305 M C 2.175 178.484 176.300 0.015 0.000 1.067 305 M CA 1.425 56.520 55.300 -0.341 0.000 1.116 305 M CB -0.513 31.828 32.600 -0.431 0.000 1.348 305 M HN 0.376 nan 8.290 nan 0.000 0.407 306 L N -0.257 120.976 121.223 0.017 0.000 2.017 306 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 306 L C 2.543 179.461 176.870 0.081 0.000 1.073 306 L CA 1.329 56.209 54.840 0.068 0.000 0.745 306 L CB -0.610 41.472 42.059 0.039 0.000 0.894 306 L HN 0.222 nan 8.230 nan 0.000 0.432 307 K N -0.059 120.375 120.400 0.056 0.000 2.063 307 K HA -0.201 4.119 4.320 -0.001 0.000 0.208 307 K C 2.025 178.679 176.600 0.090 0.000 1.048 307 K CA 1.380 57.702 56.287 0.058 0.000 0.928 307 K CB 0.052 32.574 32.500 0.036 0.000 0.713 307 K HN 0.351 nan 8.250 nan 0.000 0.442 308 Q N -1.031 118.855 119.800 0.143 0.000 2.444 308 Q HA 0.095 4.434 4.340 -0.001 0.000 0.206 308 Q C 0.610 176.746 176.000 0.226 0.000 0.948 308 Q CA 0.727 56.651 55.803 0.203 0.000 0.946 308 Q CB 0.700 29.626 28.738 0.312 0.000 1.027 308 Q HN 0.521 nan 8.270 nan 0.000 0.513 309 G N 1.234 110.163 108.800 0.215 0.000 2.182 309 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.248 309 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.248 309 G C -0.663 174.355 174.900 0.197 0.000 1.042 309 G CA -0.364 44.833 45.100 0.161 0.000 0.775 309 G HN 0.265 nan 8.290 nan 0.000 0.501 310 W N 1.022 122.338 121.300 0.026 0.000 2.210 310 W HA 0.499 5.158 4.660 -0.001 0.000 0.330 310 W C 1.298 177.848 176.519 0.052 0.000 1.334 310 W CA 0.824 58.192 57.345 0.039 0.000 1.227 310 W CB 0.645 30.128 29.460 0.038 0.000 1.178 310 W HN 0.525 nan 8.180 nan 0.000 0.560 311 T N 0.468 115.154 114.554 0.219 0.000 2.926 311 T HA 0.418 4.767 4.350 -0.001 0.000 0.289 311 T C -2.044 172.800 174.700 0.240 0.000 1.054 311 T CA -2.142 60.070 62.100 0.186 0.000 1.015 311 T CB 1.981 70.918 68.868 0.115 0.000 1.167 311 T HN 0.009 nan 8.240 nan 0.000 0.526 312 P HA -0.140 nan 4.420 nan 0.000 0.216 312 P C 1.630 179.210 177.300 0.467 0.000 1.154 312 P CA 1.160 64.470 63.100 0.350 0.000 0.865 312 P CB 0.055 31.947 31.700 0.321 0.000 0.789 313 R N -0.154 120.551 120.500 0.342 0.000 2.081 313 R HA -0.180 4.159 4.340 -0.001 0.000 0.235 313 R C 2.417 178.886 176.300 0.282 0.000 1.131 313 R CA 1.603 57.918 56.100 0.357 0.000 0.960 313 R CB -0.449 29.961 30.300 0.183 0.000 0.856 313 R HN -0.095 nan 8.270 nan 0.000 0.436 314 R N 0.417 120.986 120.500 0.116 0.000 2.081 314 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 314 R C 2.061 178.376 176.300 0.025 0.000 1.131 314 R CA 2.119 58.180 56.100 -0.064 0.000 0.960 314 R CB -0.351 29.769 30.300 -0.301 0.000 0.856 314 R HN 0.307 nan 8.270 nan 0.000 0.436 315 M N -0.808 118.919 119.600 0.210 0.000 2.117 315 M HA -0.098 4.381 4.480 -0.001 0.000 0.262 315 M C 1.784 178.140 176.300 0.094 0.000 1.065 315 M CA 1.773 57.218 55.300 0.242 0.000 1.114 315 M CB -0.316 32.388 32.600 0.173 0.000 1.361 315 M HN 0.103 nan 8.290 nan 0.000 0.408 316 F N 0.293 120.413 119.950 0.284 0.000 2.259 316 F HA -0.116 4.410 4.527 -0.001 0.000 0.298 316 F C 2.424 178.474 175.800 0.418 0.000 1.088 316 F CA 0.983 59.180 58.000 0.329 0.000 1.358 316 F CB -0.324 38.950 39.000 0.455 0.000 1.040 316 F HN -0.041 nan 8.300 nan 0.000 0.505 317 K N 0.334 121.057 120.400 0.539 0.000 2.057 317 K HA -0.134 4.185 4.320 -0.001 0.000 0.207 317 K C 1.899 178.630 176.600 0.217 0.000 1.049 317 K CA 1.108 57.586 56.287 0.318 0.000 0.931 317 K CB -0.374 32.129 32.500 0.004 0.000 0.714 317 K HN 0.263 nan 8.250 nan 0.000 0.440 318 E N 0.690 120.988 120.200 0.164 0.000 2.106 318 E HA -0.122 4.227 4.350 -0.001 0.000 0.192 318 E C 2.030 178.798 176.600 0.280 0.000 0.984 318 E CA 0.969 57.495 56.400 0.211 0.000 0.806 318 E CB -0.199 29.657 29.700 0.259 0.000 0.750 318 E HN 0.246 nan 8.360 nan 0.000 0.458 319 A N 1.647 124.519 122.820 0.086 0.000 1.877 319 A HA -0.244 4.075 4.320 -0.001 0.000 0.216 319 A C 2.047 179.798 177.584 0.277 0.000 1.186 319 A CA 2.039 53.989 52.037 -0.146 0.000 0.620 319 A CB -0.716 17.962 19.000 -0.536 0.000 0.822 319 A HN 0.208 nan 8.150 nan 0.000 0.443 320 D N -0.400 120.173 120.400 0.288 0.000 2.123 320 D HA -0.204 4.435 4.640 -0.001 0.000 0.196 320 D C 1.620 178.103 176.300 0.305 0.000 0.992 320 D CA 1.710 55.889 54.000 0.299 0.000 0.833 320 D CB -0.251 40.753 40.800 0.340 0.000 0.954 320 D HN 0.506 nan 8.370 nan 0.000 0.455 321 D N -1.499 119.070 120.400 0.282 0.000 2.117 321 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 321 D C 1.913 178.387 176.300 0.290 0.000 0.987 321 D CA 0.794 54.943 54.000 0.249 0.000 0.829 321 D CB -0.388 40.552 40.800 0.232 0.000 0.961 321 D HN 0.310 nan 8.370 nan 0.000 0.460 322 F N -0.625 119.476 119.950 0.252 0.000 2.102 322 F HA -0.136 4.390 4.527 -0.001 0.000 0.298 322 F C 1.838 177.612 175.800 -0.044 0.000 1.105 322 F CA 1.171 59.273 58.000 0.170 0.000 1.239 322 F CB -0.207 38.876 39.000 0.138 0.000 0.991 322 F HN -0.039 nan 8.300 nan 0.000 0.474 323 F N 0.434 120.566 119.950 0.304 0.000 2.091 323 F HA -0.305 4.221 4.527 -0.001 0.000 0.299 323 F C 2.836 178.658 175.800 0.037 0.000 1.103 323 F CA 2.068 60.143 58.000 0.124 0.000 1.228 323 F CB -1.274 37.737 39.000 0.019 0.000 0.984 323 F HN 0.027 nan 8.300 nan 0.000 0.477 324 T N -2.743 111.932 114.554 0.201 0.000 2.867 324 T HA -0.183 4.166 4.350 -0.001 0.000 0.268 324 T C 2.107 176.787 174.700 -0.034 0.000 1.057 324 T CA 1.114 63.258 62.100 0.074 0.000 1.136 324 T CB -0.942 67.967 68.868 0.069 0.000 0.874 324 T HN 0.349 nan 8.240 nan 0.000 0.466 325 S N 2.028 117.649 115.700 -0.132 0.000 2.399 325 S HA 0.024 4.493 4.470 -0.001 0.000 0.231 325 S C 1.935 176.348 174.600 -0.312 0.000 1.022 325 S CA 0.735 58.707 58.200 -0.380 0.000 0.983 325 S CB -0.938 61.673 63.200 -0.983 0.000 0.803 325 S HN 0.591 nan 8.310 nan 0.000 0.480 326 L N 0.870 121.987 121.223 -0.177 0.000 2.599 326 L HA 0.271 4.610 4.340 -0.001 0.000 0.230 326 L C 1.940 178.775 176.870 -0.058 0.000 1.141 326 L CA 0.413 55.192 54.840 -0.101 0.000 0.877 326 L CB -0.872 41.173 42.059 -0.023 0.000 1.009 326 L HN 0.645 nan 8.230 nan 0.000 0.447 327 G N 0.247 109.018 108.800 -0.049 0.000 2.157 327 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.248 327 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.248 327 G C 0.263 175.161 174.900 -0.004 0.000 0.979 327 G CA -0.054 45.029 45.100 -0.029 0.000 0.650 327 G HN 0.224 nan 8.290 nan 0.000 0.529 328 L N -0.190 121.051 121.223 0.030 0.000 2.490 328 L HA 0.594 4.934 4.340 -0.001 0.000 0.245 328 L C 1.391 178.276 176.870 0.025 0.000 1.185 328 L CA -1.073 53.794 54.840 0.045 0.000 0.813 328 L CB 0.412 42.558 42.059 0.145 0.000 1.233 328 L HN 0.039 nan 8.230 nan 0.000 0.489 329 L N 2.004 123.209 121.223 -0.030 0.000 2.397 329 L HA 0.271 4.610 4.340 -0.001 0.000 0.271 329 L C -2.050 174.777 176.870 -0.071 0.000 1.148 329 L CA -1.688 53.116 54.840 -0.060 0.000 0.825 329 L CB 0.323 42.317 42.059 -0.109 0.000 1.117 329 L HN 0.332 nan 8.230 nan 0.000 0.456 330 P HA 0.107 nan 4.420 nan 0.000 0.277 330 P C -0.617 176.626 177.300 -0.095 0.000 1.240 330 P CA -0.428 62.660 63.100 -0.019 0.000 0.798 330 P CB 1.158 32.890 31.700 0.052 0.000 0.979 331 V N -0.587 119.219 119.914 -0.181 0.000 2.740 331 V HA 0.279 4.398 4.120 -0.001 0.000 0.303 331 V C -2.331 173.730 176.094 -0.056 0.000 1.054 331 V CA -1.659 60.453 62.300 -0.312 0.000 1.106 331 V CB -0.848 30.411 31.823 -0.941 0.000 0.957 331 V HN 0.422 nan 8.190 nan 0.000 0.486 332 P HA 0.294 nan 4.420 nan 0.000 0.272 332 P C -2.191 175.231 177.300 0.203 0.000 1.230 332 P CA -1.494 61.689 63.100 0.138 0.000 0.788 332 P CB -0.139 31.662 31.700 0.168 0.000 0.949 333 P HA -0.224 nan 4.420 nan 0.000 0.217 333 P C 1.427 178.870 177.300 0.239 0.000 1.151 333 P CA 1.456 64.736 63.100 0.299 0.000 0.849 333 P CB -0.064 31.737 31.700 0.169 0.000 0.787 334 E N -1.513 118.756 120.200 0.115 0.000 2.130 334 E HA -0.244 4.105 4.350 -0.001 0.000 0.196 334 E C 1.783 178.370 176.600 -0.022 0.000 0.998 334 E CA 0.863 57.270 56.400 0.013 0.000 0.806 334 E CB -0.576 29.090 29.700 -0.056 0.000 0.738 334 E HN 0.168 nan 8.360 nan 0.000 0.459 335 F N -0.271 119.585 119.950 -0.157 0.000 2.091 335 F HA -0.233 4.293 4.527 -0.001 0.000 0.299 335 F C 1.522 177.129 175.800 -0.322 0.000 1.103 335 F CA 1.994 59.811 58.000 -0.306 0.000 1.228 335 F CB -0.435 38.286 39.000 -0.466 0.000 0.984 335 F HN 0.100 nan 8.300 nan 0.000 0.477 336 W N 0.680 122.073 121.300 0.155 0.000 2.402 336 W HA -0.107 4.552 4.660 -0.001 0.000 0.286 336 W C 2.470 178.935 176.519 -0.089 0.000 1.221 336 W CA 1.074 58.441 57.345 0.036 0.000 1.257 336 W CB -0.646 28.890 29.460 0.126 0.000 1.120 336 W HN 0.098 nan 8.180 nan 0.000 0.551 337 Q N 0.442 120.301 119.800 0.098 0.000 2.083 337 Q HA -0.104 4.235 4.340 -0.001 0.000 0.198 337 Q C 1.881 177.822 176.000 -0.099 0.000 0.969 337 Q CA 1.261 57.067 55.803 0.005 0.000 0.838 337 Q CB -0.247 28.486 28.738 -0.008 0.000 0.900 337 Q HN 0.305 nan 8.270 nan 0.000 0.436 338 K N -0.028 120.240 120.400 -0.219 0.000 2.334 338 K HA 0.185 4.504 4.320 -0.001 0.000 0.195 338 K C 0.463 176.872 176.600 -0.319 0.000 1.045 338 K CA -0.094 56.005 56.287 -0.314 0.000 1.004 338 K CB 0.667 32.871 32.500 -0.493 0.000 0.837 338 K HN -0.068 nan 8.250 nan 0.000 0.510 339 S N 1.379 116.824 115.700 -0.425 0.000 2.573 339 S HA 0.082 4.551 4.470 -0.001 0.000 0.277 339 S C -0.000 174.549 174.600 -0.084 0.000 1.346 339 S CA -0.067 57.911 58.200 -0.369 0.000 1.034 339 S CB 0.570 63.219 63.200 -0.919 0.000 0.879 339 S HN 0.195 nan 8.310 nan 0.000 0.528 340 M N 4.113 123.751 119.600 0.062 0.000 2.103 340 M HA 0.303 4.783 4.480 -0.001 0.000 0.350 340 M C -0.652 175.606 176.300 -0.070 0.000 1.100 340 M CA -0.271 55.018 55.300 -0.017 0.000 1.042 340 M CB -0.257 32.288 32.600 -0.093 0.000 1.368 340 M HN 0.619 nan 8.290 nan 0.000 0.404 341 L N 3.409 124.583 121.223 -0.082 0.000 2.607 341 L HA 0.238 4.577 4.340 -0.001 0.000 0.228 341 L C 0.379 177.306 176.870 0.095 0.000 1.123 341 L CA 0.161 54.958 54.840 -0.071 0.000 0.890 341 L CB -0.138 41.833 42.059 -0.147 0.000 1.103 341 L HN 0.635 nan 8.230 nan 0.000 0.468 342 E N -0.759 119.477 120.200 0.059 0.000 2.412 342 E HA 0.260 4.609 4.350 -0.001 0.000 0.279 342 E C -1.102 175.516 176.600 0.030 0.000 0.984 342 E CA -1.030 55.414 56.400 0.073 0.000 0.788 342 E CB 1.550 31.302 29.700 0.087 0.000 1.277 342 E HN -0.145 nan 8.360 nan 0.000 0.455 343 K N 1.835 122.253 120.400 0.031 0.000 2.472 343 K HA 0.133 4.452 4.320 -0.001 0.000 0.280 343 K C -2.133 174.468 176.600 0.001 0.000 1.028 343 K CA -1.026 55.266 56.287 0.008 0.000 1.045 343 K CB 0.114 32.624 32.500 0.016 0.000 0.902 343 K HN 0.265 nan 8.250 nan 0.000 0.478 344 P HA 0.018 nan 4.420 nan 0.000 0.271 344 P C -0.241 177.054 177.300 -0.008 0.000 1.218 344 P CA -0.221 62.869 63.100 -0.018 0.000 0.780 344 P CB 0.955 32.631 31.700 -0.040 0.000 0.901 345 T N -3.627 110.926 114.554 -0.002 0.000 3.085 345 T HA 0.064 4.413 4.350 -0.001 0.000 0.264 345 T C 0.467 175.167 174.700 0.000 0.000 1.019 345 T CA -0.171 61.931 62.100 0.003 0.000 0.910 345 T CB -0.505 68.369 68.868 0.010 0.000 1.059 345 T HN 0.327 nan 8.240 nan 0.000 0.542 346 D N 0.942 121.339 120.400 -0.006 0.000 2.325 346 D HA 0.300 4.939 4.640 -0.001 0.000 0.225 346 D C 1.647 177.942 176.300 -0.008 0.000 1.096 346 D CA 0.276 54.272 54.000 -0.006 0.000 0.844 346 D CB -0.513 40.282 40.800 -0.009 0.000 0.925 346 D HN 0.504 nan 8.370 nan 0.000 0.513 347 G N 0.349 109.144 108.800 -0.008 0.000 2.195 347 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.246 347 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.246 347 G C 0.347 175.236 174.900 -0.018 0.000 0.984 347 G CA -0.274 44.821 45.100 -0.008 0.000 0.633 347 G HN 0.424 nan 8.290 nan 0.000 0.525 348 R N 0.827 121.309 120.500 -0.030 0.000 2.570 348 R HA 0.370 4.709 4.340 -0.001 0.000 0.277 348 R C 0.220 176.487 176.300 -0.056 0.000 1.039 348 R CA 0.100 56.169 56.100 -0.051 0.000 1.065 348 R CB 0.495 30.753 30.300 -0.069 0.000 0.964 348 R HN 0.399 nan 8.270 nan 0.000 0.428 349 E N 2.424 122.582 120.200 -0.070 0.000 2.227 349 E HA 0.259 4.608 4.350 -0.001 0.000 0.282 349 E C -0.921 175.603 176.600 -0.127 0.000 1.015 349 E CA -0.618 55.737 56.400 -0.074 0.000 0.823 349 E CB 1.100 30.762 29.700 -0.062 0.000 1.081 349 E HN 0.368 nan 8.360 nan 0.000 0.396 350 V N 1.051 120.902 119.914 -0.105 0.000 3.102 350 V HA 0.584 4.703 4.120 -0.001 0.000 0.312 350 V C -0.650 175.402 176.094 -0.070 0.000 1.135 350 V CA -1.121 61.094 62.300 -0.141 0.000 1.022 350 V CB 1.908 33.643 31.823 -0.147 0.000 1.056 350 V HN 0.372 nan 8.190 nan 0.000 0.436 351 V N 1.672 121.547 119.914 -0.065 0.000 2.387 351 V HA 0.113 4.232 4.120 -0.001 0.000 0.260 351 V C 1.149 177.281 176.094 0.062 0.000 1.054 351 V CA 0.205 62.548 62.300 0.071 0.000 0.967 351 V CB 0.074 31.984 31.823 0.145 0.000 1.036 351 V HN 1.143 nan 8.190 nan 0.000 0.481 352 c N 3.274 121.928 118.600 0.089 0.000 2.464 352 c HA 0.006 4.576 4.570 -0.001 0.000 0.278 352 c C 1.549 175.659 174.090 0.034 0.000 1.375 352 c CA 0.080 56.440 56.329 0.051 0.000 1.761 352 c CB -1.052 41.489 42.510 0.051 0.000 1.944 352 c HN 0.941 nan 8.230 nan 0.000 0.509 353 H N 0.801 119.814 119.070 -0.094 0.000 3.125 353 H HA 0.308 4.863 4.556 -0.001 0.000 0.310 353 H C 0.596 175.823 175.328 -0.168 0.000 0.980 353 H CA 0.545 56.408 56.048 -0.308 0.000 1.422 353 H CB 0.423 29.552 29.762 -1.056 0.000 1.432 353 H HN 0.467 nan 8.280 nan 0.000 0.577 354 A N 4.529 127.156 122.820 -0.321 0.000 2.546 354 A HA 0.388 4.707 4.320 -0.001 0.000 0.243 354 A C -0.107 177.572 177.584 0.159 0.000 1.063 354 A CA 0.568 52.598 52.037 -0.012 0.000 0.757 354 A CB -0.180 18.818 19.000 -0.002 0.000 0.991 354 A HN 0.848 nan 8.150 nan 0.000 0.503 355 S N 0.576 116.465 115.700 0.315 0.000 2.550 355 S HA 0.800 5.270 4.470 -0.001 0.000 0.270 355 S C -0.642 174.281 174.600 0.538 0.000 1.145 355 S CA -0.196 58.228 58.200 0.374 0.000 0.852 355 S CB 1.463 64.846 63.200 0.304 0.000 1.119 355 S HN 2.083 nan 8.310 nan 0.000 0.465 356 A N 0.847 123.913 122.820 0.411 0.000 2.350 356 A HA 0.810 5.129 4.320 -0.001 0.000 0.324 356 A C -1.769 176.135 177.584 0.533 0.000 1.118 356 A CA -0.726 51.661 52.037 0.583 0.000 0.783 356 A CB 0.547 19.818 19.000 0.452 0.000 1.236 356 A HN 0.760 nan 8.150 nan 0.000 0.457 357 W N 0.965 122.560 121.300 0.490 0.000 2.683 357 W HA 0.471 5.131 4.660 -0.001 0.000 0.329 357 W C -0.800 175.647 176.519 -0.119 0.000 1.037 357 W CA -0.319 57.094 57.345 0.113 0.000 1.232 357 W CB 1.842 31.384 29.460 0.137 0.000 1.390 357 W HN 0.652 nan 8.180 nan 0.000 0.465 358 D N 2.116 122.126 120.400 -0.650 0.000 2.349 358 D HA 0.253 4.892 4.640 -0.001 0.000 0.232 358 D C -0.211 175.662 176.300 -0.711 0.000 1.071 358 D CA -0.507 52.983 54.000 -0.849 0.000 0.832 358 D CB 0.829 40.644 40.800 -1.642 0.000 1.086 358 D HN 0.190 nan 8.370 nan 0.000 0.504 359 F N 2.728 122.455 119.950 -0.371 0.000 2.692 359 F HA 0.143 4.670 4.527 -0.001 0.000 0.303 359 F C 0.439 176.226 175.800 -0.022 0.000 1.114 359 F CA -0.346 57.561 58.000 -0.156 0.000 1.361 359 F CB -0.579 38.315 39.000 -0.177 0.000 1.063 359 F HN 0.416 nan 8.300 nan 0.000 0.550 360 Y N 0.056 120.398 120.300 0.070 0.000 3.825 360 Y HA -0.347 4.202 4.550 -0.001 0.000 0.221 360 Y C 1.014 176.932 175.900 0.030 0.000 1.195 360 Y CA 0.419 58.574 58.100 0.091 0.000 1.699 360 Y CB -2.276 36.287 38.460 0.172 0.000 1.531 360 Y HN 0.362 nan 8.280 nan 0.000 0.640 361 N N -0.945 117.785 118.700 0.050 0.000 2.159 361 N HA 0.323 5.062 4.740 -0.001 0.000 0.217 361 N C 1.279 176.772 175.510 -0.029 0.000 1.223 361 N CA 0.487 53.536 53.050 -0.001 0.000 0.896 361 N CB 0.676 39.141 38.487 -0.038 0.000 1.064 361 N HN 0.515 nan 8.380 nan 0.000 0.518 362 G N 0.272 109.060 108.800 -0.020 0.000 2.155 362 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.257 362 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.257 362 G C 0.823 175.733 174.900 0.016 0.000 0.983 362 G CA 1.148 46.320 45.100 0.119 0.000 0.676 362 G HN 0.478 nan 8.290 nan 0.000 0.528 363 K N -0.959 119.210 120.400 -0.386 0.000 2.556 363 K HA 0.208 4.527 4.320 -0.001 0.000 0.201 363 K C 0.097 176.328 176.600 -0.615 0.000 1.423 363 K CA 0.378 56.480 56.287 -0.308 0.000 1.010 363 K CB 0.510 32.913 32.500 -0.161 0.000 1.409 363 K HN 0.155 nan 8.250 nan 0.000 0.538 364 D N 0.601 120.509 120.400 -0.820 0.000 2.412 364 D HA 0.256 4.895 4.640 -0.001 0.000 0.224 364 D C -1.312 174.567 176.300 -0.702 0.000 1.093 364 D CA -0.340 53.269 54.000 -0.652 0.000 0.850 364 D CB 0.155 40.633 40.800 -0.538 0.000 1.046 364 D HN -0.109 nan 8.370 nan 0.000 0.507 365 F N 2.567 122.560 119.950 0.071 0.000 2.556 365 F HA 0.566 5.092 4.527 -0.001 0.000 0.314 365 F C 0.593 176.527 175.800 0.222 0.000 1.106 365 F CA -1.027 57.120 58.000 0.246 0.000 0.911 365 F CB 1.797 40.974 39.000 0.296 0.000 1.190 365 F HN -0.093 nan 8.300 nan 0.000 0.448 366 R N 2.576 123.334 120.500 0.429 0.000 2.771 366 R HA 0.735 5.074 4.340 -0.001 0.000 0.274 366 R C -1.562 174.939 176.300 0.334 0.000 0.987 366 R CA -1.019 55.109 56.100 0.047 0.000 0.908 366 R CB 3.012 33.013 30.300 -0.498 0.000 1.213 366 R HN 0.602 nan 8.270 nan 0.000 0.468 367 I N 1.375 121.990 120.570 0.075 0.000 2.493 367 I HA 0.334 4.503 4.170 -0.001 0.000 0.298 367 I C -0.272 175.981 176.117 0.228 0.000 0.998 367 I CA -0.635 60.826 61.300 0.269 0.000 1.137 367 I CB 1.830 39.943 38.000 0.188 0.000 1.310 367 I HN 0.323 nan 8.210 nan 0.000 0.445 368 K N 6.680 127.276 120.400 0.326 0.000 2.507 368 K HA 0.462 4.781 4.320 -0.001 0.000 0.253 368 K C -1.285 175.394 176.600 0.131 0.000 0.969 368 K CA -0.453 55.898 56.287 0.108 0.000 0.908 368 K CB 1.216 33.648 32.500 -0.113 0.000 1.127 368 K HN 0.661 nan 8.250 nan 0.000 0.437 369 Q N 3.832 123.680 119.800 0.080 0.000 2.295 369 Q HA 0.249 4.588 4.340 -0.001 0.000 0.268 369 Q C -1.503 174.553 176.000 0.094 0.000 1.010 369 Q CA -0.741 55.136 55.803 0.122 0.000 0.856 369 Q CB 1.697 30.593 28.738 0.263 0.000 1.349 369 Q HN 0.756 nan 8.270 nan 0.000 0.412 370 c N 3.788 122.426 118.600 0.064 0.000 2.756 370 c HA 0.243 4.812 4.570 -0.001 0.000 0.504 370 c C 0.340 174.483 174.090 0.088 0.000 1.028 370 c CA -0.256 56.108 56.329 0.059 0.000 1.167 370 c CB -1.808 40.721 42.510 0.031 0.000 1.444 370 c HN 0.586 nan 8.230 nan 0.000 0.577 371 T N 2.577 117.220 114.554 0.148 0.000 2.902 371 T HA 0.136 4.485 4.350 -0.001 0.000 0.301 371 T C 0.612 175.389 174.700 0.128 0.000 1.012 371 T CA 0.642 62.849 62.100 0.179 0.000 1.151 371 T CB 0.458 69.516 68.868 0.317 0.000 0.946 371 T HN 0.557 nan 8.240 nan 0.000 0.542 372 T N 2.635 117.247 114.554 0.096 0.000 2.895 372 T HA 0.340 4.689 4.350 -0.001 0.000 0.283 372 T C 0.350 175.100 174.700 0.083 0.000 1.014 372 T CA -0.651 61.495 62.100 0.078 0.000 1.037 372 T CB 1.201 70.099 68.868 0.049 0.000 1.006 372 T HN 0.347 nan 8.240 nan 0.000 0.468 373 V N 5.491 125.457 119.914 0.086 0.000 2.341 373 V HA 0.278 4.397 4.120 -0.001 0.000 0.248 373 V C 0.065 176.178 176.094 0.032 0.000 1.107 373 V CA -0.362 61.993 62.300 0.091 0.000 1.069 373 V CB -1.621 30.276 31.823 0.123 0.000 1.177 373 V HN 0.973 nan 8.190 nan 0.000 0.492 374 N N 2.910 121.613 118.700 0.006 0.000 3.106 374 N HA 0.300 5.039 4.740 -0.001 0.000 0.253 374 N C 0.136 175.608 175.510 -0.062 0.000 1.506 374 N CA -0.960 52.066 53.050 -0.040 0.000 0.876 374 N CB 1.214 39.691 38.487 -0.018 0.000 1.452 374 N HN 0.084 nan 8.380 nan 0.000 0.542 375 L N -0.327 120.846 121.223 -0.083 0.000 2.072 375 L HA -0.001 4.338 4.340 -0.001 0.000 0.205 375 L C 2.151 178.988 176.870 -0.056 0.000 1.079 375 L CA 1.698 56.484 54.840 -0.091 0.000 0.752 375 L CB -0.252 41.750 42.059 -0.095 0.000 0.906 375 L HN 0.868 nan 8.230 nan 0.000 0.436 376 E N 0.042 120.220 120.200 -0.036 0.000 2.070 376 E HA -0.312 4.037 4.350 -0.001 0.000 0.197 376 E C 1.529 178.116 176.600 -0.021 0.000 1.004 376 E CA 2.087 58.473 56.400 -0.024 0.000 0.805 376 E CB 0.082 29.779 29.700 -0.005 0.000 0.744 376 E HN 0.394 nan 8.360 nan 0.000 0.451 377 D N -0.408 119.987 120.400 -0.009 0.000 2.277 377 D HA -0.083 4.556 4.640 -0.001 0.000 0.208 377 D C 1.709 178.004 176.300 -0.009 0.000 0.962 377 D CA 0.178 54.178 54.000 0.001 0.000 0.865 377 D CB -0.012 40.803 40.800 0.025 0.000 0.939 377 D HN 0.152 nan 8.370 nan 0.000 0.510 378 L N 0.133 121.357 121.223 0.001 0.000 2.017 378 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 378 L C 2.109 179.049 176.870 0.116 0.000 1.073 378 L CA 1.353 56.224 54.840 0.052 0.000 0.745 378 L CB -0.498 41.586 42.059 0.042 0.000 0.894 378 L HN -0.099 nan 8.230 nan 0.000 0.432 379 V N -1.182 118.737 119.914 0.007 0.000 2.295 379 V HA -0.292 3.828 4.120 -0.001 0.000 0.246 379 V C 2.505 178.627 176.094 0.048 0.000 1.049 379 V CA 1.707 63.989 62.300 -0.030 0.000 1.024 379 V CB -0.587 31.179 31.823 -0.095 0.000 0.648 379 V HN 0.343 nan 8.190 nan 0.000 0.447 380 V N 0.403 120.331 119.914 0.023 0.000 2.332 380 V HA -0.285 3.834 4.120 -0.001 0.000 0.248 380 V C 2.723 178.890 176.094 0.121 0.000 1.055 380 V CA 2.012 64.343 62.300 0.051 0.000 1.038 380 V CB -1.271 30.555 31.823 0.004 0.000 0.651 380 V HN 0.568 nan 8.190 nan 0.000 0.450 381 A N -0.615 122.200 122.820 -0.009 0.000 1.908 381 A HA -0.289 4.031 4.320 -0.001 0.000 0.218 381 A C 2.006 179.568 177.584 -0.036 0.000 1.181 381 A CA 2.366 54.255 52.037 -0.246 0.000 0.627 381 A CB -0.812 17.646 19.000 -0.903 0.000 0.818 381 A HN 0.681 nan 8.150 nan 0.000 0.445 382 H N -2.033 117.031 119.070 -0.009 0.000 2.353 382 H HA -0.121 4.434 4.556 -0.001 0.000 0.300 382 H C 1.998 177.387 175.328 0.102 0.000 1.090 382 H CA 1.869 57.951 56.048 0.057 0.000 1.327 382 H CB -0.419 29.295 29.762 -0.079 0.000 1.383 382 H HN 0.827 nan 8.280 nan 0.000 0.508 383 H N 0.746 119.877 119.070 0.101 0.000 2.319 383 H HA -0.129 4.427 4.556 -0.001 0.000 0.297 383 H C 1.861 177.182 175.328 -0.010 0.000 1.097 383 H CA 1.916 57.973 56.048 0.015 0.000 1.285 383 H CB 0.247 30.021 29.762 0.021 0.000 1.368 383 H HN 0.251 nan 8.280 nan 0.000 0.495 384 E N 0.013 120.348 120.200 0.225 0.000 2.106 384 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 384 E C 2.216 178.905 176.600 0.149 0.000 0.984 384 E CA 0.771 57.340 56.400 0.283 0.000 0.806 384 E CB -0.123 29.860 29.700 0.471 0.000 0.750 384 E HN 0.600 nan 8.360 nan 0.000 0.458 385 M N -0.069 119.605 119.600 0.124 0.000 2.296 385 M HA -0.022 4.458 4.480 -0.001 0.000 0.265 385 M C 2.221 178.292 176.300 -0.383 0.000 1.064 385 M CA 1.042 56.291 55.300 -0.085 0.000 1.109 385 M CB -1.093 31.523 32.600 0.025 0.000 1.396 385 M HN 0.088 nan 8.290 nan 0.000 0.430 386 G N -0.445 108.286 108.800 -0.114 0.000 2.418 386 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 386 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 386 G C 1.363 176.085 174.900 -0.297 0.000 1.158 386 G CA 0.626 45.647 45.100 -0.130 0.000 0.771 386 G HN 0.409 nan 8.290 nan 0.000 0.545 387 H N 0.655 119.579 119.070 -0.242 0.000 2.319 387 H HA -0.039 4.516 4.556 -0.001 0.000 0.299 387 H C 2.784 177.552 175.328 -0.932 0.000 1.092 387 H CA 1.097 56.915 56.048 -0.384 0.000 1.302 387 H CB -0.267 29.300 29.762 -0.324 0.000 1.373 387 H HN 0.193 nan 8.280 nan 0.000 0.497 388 I N 0.915 121.167 120.570 -0.531 0.000 2.163 388 I HA -0.257 3.912 4.170 -0.001 0.000 0.243 388 I C 2.592 178.341 176.117 -0.614 0.000 1.085 388 I CA 1.206 62.212 61.300 -0.490 0.000 1.347 388 I CB -1.032 36.806 38.000 -0.270 0.000 1.044 388 I HN 0.217 nan 8.210 nan 0.000 0.408 389 Q N 0.566 119.963 119.800 -0.672 0.000 2.061 389 Q HA -0.245 4.095 4.340 -0.001 0.000 0.204 389 Q C 2.326 178.028 176.000 -0.495 0.000 0.984 389 Q CA 1.852 57.264 55.803 -0.653 0.000 0.846 389 Q CB -0.693 27.538 28.738 -0.846 0.000 0.902 389 Q HN 0.548 nan 8.270 nan 0.000 0.421 390 Y N -0.666 119.277 120.300 -0.595 0.000 2.128 390 Y HA -0.284 4.265 4.550 -0.001 0.000 0.284 390 Y C 1.804 177.136 175.900 -0.947 0.000 1.154 390 Y CA 1.461 59.155 58.100 -0.675 0.000 1.149 390 Y CB -0.166 37.802 38.460 -0.820 0.000 0.976 390 Y HN 0.191 nan 8.280 nan 0.000 0.505 391 F N -0.700 118.924 119.950 -0.543 0.000 2.091 391 F HA -0.400 4.127 4.527 -0.001 0.000 0.299 391 F C 2.459 177.887 175.800 -0.619 0.000 1.103 391 F CA 1.076 58.719 58.000 -0.595 0.000 1.228 391 F CB -0.477 38.360 39.000 -0.272 0.000 0.984 391 F HN 0.083 nan 8.300 nan 0.000 0.477 392 M N -0.443 118.808 119.600 -0.582 0.000 2.159 392 M HA -0.204 4.275 4.480 -0.001 0.000 0.263 392 M C 2.262 178.434 176.300 -0.213 0.000 1.063 392 M CA 1.368 56.365 55.300 -0.505 0.000 1.110 392 M CB -0.517 31.747 32.600 -0.560 0.000 1.374 392 M HN 0.154 nan 8.290 nan 0.000 0.411 393 Q N 0.056 119.710 119.800 -0.244 0.000 2.079 393 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 393 Q C 1.452 177.489 176.000 0.062 0.000 0.974 393 Q CA 1.484 57.221 55.803 -0.109 0.000 0.840 393 Q CB -0.332 28.310 28.738 -0.160 0.000 0.898 393 Q HN 0.789 nan 8.270 nan 0.000 0.430 394 Y N -0.097 120.300 120.300 0.162 0.000 2.571 394 Y HA 0.309 4.859 4.550 -0.001 0.000 0.275 394 Y C 1.387 177.401 175.900 0.190 0.000 1.179 394 Y CA -0.651 57.563 58.100 0.190 0.000 1.242 394 Y CB -0.685 37.926 38.460 0.251 0.000 1.126 394 Y HN 0.003 nan 8.280 nan 0.000 0.524 395 K N -0.232 120.399 120.400 0.385 0.000 2.360 395 K HA -0.154 4.165 4.320 -0.001 0.000 0.201 395 K C 0.020 176.783 176.600 0.272 0.000 1.046 395 K CA 1.796 58.306 56.287 0.372 0.000 0.945 395 K CB -0.126 32.579 32.500 0.342 0.000 0.750 395 K HN 0.189 nan 8.250 nan 0.000 0.464 396 D N 0.797 121.329 120.400 0.220 0.000 2.369 396 D HA 0.155 4.795 4.640 -0.001 0.000 0.211 396 D C 0.476 176.856 176.300 0.133 0.000 1.077 396 D CA 0.029 54.119 54.000 0.150 0.000 0.842 396 D CB 0.258 41.127 40.800 0.115 0.000 0.947 396 D HN 0.172 nan 8.370 nan 0.000 0.509 397 L N 1.486 122.810 121.223 0.168 0.000 2.453 397 L HA 0.220 4.560 4.340 -0.001 0.000 0.261 397 L C -1.969 174.960 176.870 0.099 0.000 1.179 397 L CA -1.649 53.266 54.840 0.125 0.000 0.813 397 L CB 0.054 42.190 42.059 0.129 0.000 1.110 397 L HN -0.301 nan 8.230 nan 0.000 0.466 398 P HA -0.076 nan 4.420 nan 0.000 0.264 398 P C 0.896 178.233 177.300 0.063 0.000 1.183 398 P CA -0.120 63.004 63.100 0.040 0.000 0.763 398 P CB 0.459 32.182 31.700 0.039 0.000 0.807 399 V N 1.578 121.500 119.914 0.013 0.000 2.453 399 V HA -0.296 3.823 4.120 -0.001 0.000 0.252 399 V C 1.981 178.193 176.094 0.196 0.000 1.068 399 V CA 2.092 64.433 62.300 0.069 0.000 1.070 399 V CB -2.150 29.512 31.823 -0.268 0.000 0.664 399 V HN 0.534 nan 8.190 nan 0.000 0.461 400 A N 0.388 123.318 122.820 0.183 0.000 2.070 400 A HA 0.080 4.400 4.320 -0.001 0.000 0.220 400 A C 2.115 179.820 177.584 0.202 0.000 1.159 400 A CA 1.970 54.172 52.037 0.274 0.000 0.656 400 A CB -0.541 18.605 19.000 0.243 0.000 0.800 400 A HN 0.640 nan 8.150 nan 0.000 0.453 401 L N -1.534 119.776 121.223 0.144 0.000 2.693 401 L HA 0.172 4.511 4.340 -0.001 0.000 0.235 401 L C 0.771 177.599 176.870 -0.070 0.000 1.127 401 L CA -0.203 54.715 54.840 0.129 0.000 0.914 401 L CB 0.087 42.212 42.059 0.109 0.000 1.193 401 L HN 0.166 nan 8.230 nan 0.000 0.502 402 R N 1.711 122.131 120.500 -0.133 0.000 4.556 402 R HA 0.179 4.519 4.340 -0.001 0.000 0.197 402 R C -0.472 175.453 176.300 -0.625 0.000 1.791 402 R CA 0.221 55.970 56.100 -0.585 0.000 1.526 402 R CB -0.126 30.195 30.300 0.036 0.000 1.410 402 R HN 0.346 nan 8.270 nan 0.000 0.826 403 E N -0.962 118.864 120.200 -0.623 0.000 2.446 403 E HA 0.366 4.715 4.350 -0.001 0.000 0.276 403 E C -0.191 176.343 176.600 -0.111 0.000 0.969 403 E CA -0.967 55.301 56.400 -0.221 0.000 0.800 403 E CB 1.574 31.103 29.700 -0.285 0.000 1.341 403 E HN 0.347 nan 8.360 nan 0.000 0.460 404 G N -0.085 108.726 108.800 0.018 0.000 2.636 404 G HA2 0.251 4.210 3.960 -0.001 0.000 0.246 404 G HA3 0.251 4.210 3.960 -0.001 0.000 0.246 404 G C 0.864 175.827 174.900 0.104 0.000 1.216 404 G CA 0.275 45.255 45.100 -0.199 0.000 0.854 404 G HN 0.550 nan 8.290 nan 0.000 0.572 405 A N 1.178 124.057 122.820 0.098 0.000 1.892 405 A HA -0.049 4.270 4.320 -0.001 0.000 0.218 405 A C 1.305 178.930 177.584 0.069 0.000 1.188 405 A CA 2.216 54.217 52.037 -0.061 0.000 0.631 405 A CB -0.653 17.949 19.000 -0.663 0.000 0.822 405 A HN 1.064 nan 8.150 nan 0.000 0.447 406 N N -4.177 114.507 118.700 -0.027 0.000 2.647 406 N HA 0.475 5.214 4.740 -0.001 0.000 0.266 406 N C -2.887 172.631 175.510 0.014 0.000 1.373 406 N CA -1.881 51.158 53.050 -0.017 0.000 0.807 406 N CB 0.534 38.949 38.487 -0.119 0.000 1.513 406 N HN -0.250 nan 8.380 nan 0.000 0.505 407 P HA 0.004 nan 4.420 nan 0.000 0.219 407 P C 1.286 178.677 177.300 0.152 0.000 1.146 407 P CA 1.757 64.827 63.100 -0.050 0.000 0.808 407 P CB -0.100 31.488 31.700 -0.186 0.000 0.779 408 G N -1.190 107.775 108.800 0.276 0.000 2.422 408 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.218 408 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.218 408 G C 1.203 176.308 174.900 0.342 0.000 1.146 408 G CA 0.391 45.669 45.100 0.296 0.000 0.769 408 G HN 0.140 nan 8.290 nan 0.000 0.547 409 F N 0.374 120.466 119.950 0.237 0.000 2.134 409 F HA -0.022 4.504 4.527 -0.001 0.000 0.299 409 F C 2.589 178.652 175.800 0.439 0.000 1.097 409 F CA 1.236 59.471 58.000 0.393 0.000 1.264 409 F CB -0.598 38.678 39.000 0.460 0.000 1.001 409 F HN 0.165 nan 8.300 nan 0.000 0.479 410 H N 0.498 119.840 119.070 0.455 0.000 2.352 410 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 410 H C 2.024 177.489 175.328 0.228 0.000 1.097 410 H CA 1.691 57.938 56.048 0.331 0.000 1.311 410 H CB 0.076 29.917 29.762 0.132 0.000 1.377 410 H HN 0.207 nan 8.280 nan 0.000 0.504 411 E N 0.056 120.468 120.200 0.353 0.000 2.208 411 E HA -0.038 4.311 4.350 -0.001 0.000 0.193 411 E C 2.253 178.907 176.600 0.091 0.000 0.988 411 E CA 0.749 57.274 56.400 0.210 0.000 0.828 411 E CB -0.196 29.666 29.700 0.270 0.000 0.763 411 E HN 0.458 nan 8.360 nan 0.000 0.478 412 A N 1.250 124.140 122.820 0.116 0.000 1.970 412 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 412 A C 2.128 179.717 177.584 0.008 0.000 1.170 412 A CA 0.401 52.455 52.037 0.028 0.000 0.645 412 A CB -0.223 18.745 19.000 -0.053 0.000 0.816 412 A HN 0.069 nan 8.150 nan 0.000 0.447 413 I N 0.411 121.004 120.570 0.039 0.000 2.091 413 I HA -0.237 3.932 4.170 -0.001 0.000 0.239 413 I C 2.707 178.806 176.117 -0.030 0.000 1.061 413 I CA 1.842 63.149 61.300 0.011 0.000 1.317 413 I CB -1.981 36.007 38.000 -0.021 0.000 1.031 413 I HN 0.337 nan 8.210 nan 0.000 0.401 414 G N 0.508 109.275 108.800 -0.055 0.000 2.422 414 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.218 414 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.218 414 G C 1.245 176.087 174.900 -0.096 0.000 1.146 414 G CA 0.908 46.006 45.100 -0.003 0.000 0.769 414 G HN 0.332 nan 8.290 nan 0.000 0.547 415 D N 0.066 120.401 120.400 -0.108 0.000 2.178 415 D HA -0.070 4.569 4.640 -0.001 0.000 0.201 415 D C 2.705 178.789 176.300 -0.361 0.000 0.980 415 D CA 0.449 54.318 54.000 -0.218 0.000 0.842 415 D CB -0.284 40.368 40.800 -0.247 0.000 0.948 415 D HN 0.211 nan 8.370 nan 0.000 0.472 416 V N 0.508 120.245 119.914 -0.294 0.000 2.255 416 V HA -0.241 3.878 4.120 -0.001 0.000 0.247 416 V C 2.355 178.221 176.094 -0.380 0.000 1.051 416 V CA 1.253 63.374 62.300 -0.298 0.000 1.018 416 V CB -0.426 31.329 31.823 -0.112 0.000 0.641 416 V HN 0.150 nan 8.190 nan 0.000 0.445 417 L N 0.434 121.374 121.223 -0.472 0.000 2.083 417 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 417 L C 2.585 178.929 176.870 -0.877 0.000 1.083 417 L CA 2.177 56.520 54.840 -0.828 0.000 0.752 417 L CB -1.218 40.192 42.059 -1.082 0.000 0.899 417 L HN 0.295 nan 8.230 nan 0.000 0.433 418 A N -0.868 121.569 122.820 -0.638 0.000 2.019 418 A HA -0.152 4.168 4.320 -0.001 0.000 0.219 418 A C 2.318 179.601 177.584 -0.502 0.000 1.164 418 A CA 1.344 53.010 52.037 -0.618 0.000 0.644 418 A CB -0.716 18.037 19.000 -0.413 0.000 0.805 418 A HN 0.393 nan 8.150 nan 0.000 0.449 419 L N -0.733 120.186 121.223 -0.506 0.000 2.046 419 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 419 L C 2.864 179.548 176.870 -0.310 0.000 1.077 419 L CA 1.573 56.122 54.840 -0.485 0.000 0.747 419 L CB -0.411 41.151 42.059 -0.829 0.000 0.896 419 L HN 0.334 nan 8.230 nan 0.000 0.432 420 S N -0.721 114.797 115.700 -0.304 0.000 2.368 420 S HA -0.130 4.339 4.470 -0.001 0.000 0.224 420 S C 2.039 176.503 174.600 -0.227 0.000 1.029 420 S CA 1.013 59.144 58.200 -0.115 0.000 0.988 420 S CB -0.146 63.096 63.200 0.070 0.000 0.838 420 S HN 0.142 nan 8.310 nan 0.000 0.462 421 V N 1.896 121.517 119.914 -0.488 0.000 2.324 421 V HA -0.202 3.917 4.120 -0.001 0.000 0.250 421 V C 2.275 178.243 176.094 -0.209 0.000 1.060 421 V CA 1.982 63.948 62.300 -0.556 0.000 1.042 421 V CB -0.864 30.556 31.823 -0.673 0.000 0.650 421 V HN 0.434 nan 8.190 nan 0.000 0.450 422 S N -0.483 115.120 115.700 -0.162 0.000 2.481 422 S HA -0.063 4.406 4.470 -0.001 0.000 0.231 422 S C 1.120 175.771 174.600 0.084 0.000 0.996 422 S CA 0.844 59.044 58.200 -0.001 0.000 0.942 422 S CB -0.490 62.732 63.200 0.037 0.000 0.768 422 S HN 0.875 nan 8.310 nan 0.000 0.520 423 T N 1.104 115.645 114.554 -0.021 0.000 2.940 423 T HA 0.114 4.463 4.350 -0.001 0.000 0.309 423 T C -1.956 172.575 174.700 -0.282 0.000 1.056 423 T CA -1.266 60.658 62.100 -0.294 0.000 1.137 423 T CB 0.546 69.305 68.868 -0.182 0.000 0.976 423 T HN -0.065 nan 8.240 nan 0.000 0.547 424 P HA -0.089 nan 4.420 nan 0.000 0.216 424 P C 1.585 178.801 177.300 -0.140 0.000 1.153 424 P CA 1.046 63.984 63.100 -0.270 0.000 0.858 424 P CB 0.089 31.592 31.700 -0.329 0.000 0.789 425 K N -1.196 119.114 120.400 -0.150 0.000 2.044 425 K HA -0.258 4.061 4.320 -0.001 0.000 0.210 425 K C 2.222 178.821 176.600 -0.002 0.000 1.049 425 K CA 1.717 57.964 56.287 -0.066 0.000 0.927 425 K CB -0.517 31.941 32.500 -0.069 0.000 0.713 425 K HN 0.157 nan 8.250 nan 0.000 0.443 426 H N -0.021 119.006 119.070 -0.071 0.000 2.357 426 H HA 0.005 4.560 4.556 -0.001 0.000 0.301 426 H C 1.923 177.219 175.328 -0.052 0.000 1.082 426 H CA 1.751 57.763 56.048 -0.059 0.000 1.342 426 H CB 0.037 29.786 29.762 -0.021 0.000 1.389 426 H HN 0.104 nan 8.280 nan 0.000 0.511 427 L N -0.223 121.049 121.223 0.081 0.000 2.042 427 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 427 L C 2.635 179.485 176.870 -0.034 0.000 1.076 427 L CA 1.661 56.511 54.840 0.015 0.000 0.749 427 L CB -0.701 41.350 42.059 -0.014 0.000 0.893 427 L HN 0.552 nan 8.230 nan 0.000 0.432 428 H N 0.074 119.082 119.070 -0.103 0.000 2.352 428 H HA -0.179 4.376 4.556 -0.001 0.000 0.299 428 H C 2.363 177.621 175.328 -0.116 0.000 1.097 428 H CA 1.864 57.849 56.048 -0.106 0.000 1.311 428 H CB 0.238 29.932 29.762 -0.113 0.000 1.377 428 H HN 0.416 nan 8.280 nan 0.000 0.504 429 S N 0.239 115.791 115.700 -0.247 0.000 2.474 429 S HA -0.038 4.431 4.470 -0.001 0.000 0.235 429 S C 2.020 176.452 174.600 -0.281 0.000 0.997 429 S CA 0.670 58.674 58.200 -0.326 0.000 0.949 429 S CB -0.452 62.517 63.200 -0.385 0.000 0.766 429 S HN 0.447 nan 8.310 nan 0.000 0.517 430 L N 0.785 121.894 121.223 -0.191 0.000 2.607 430 L HA 0.319 4.658 4.340 -0.001 0.000 0.228 430 L C 0.783 177.670 176.870 0.030 0.000 1.123 430 L CA 0.010 54.853 54.840 0.005 0.000 0.890 430 L CB -0.729 41.419 42.059 0.149 0.000 1.103 430 L HN 0.292 nan 8.230 nan 0.000 0.468 431 N N 0.213 118.837 118.700 -0.128 0.000 2.754 431 N HA -0.206 4.533 4.740 -0.001 0.000 0.248 431 N C 0.304 175.770 175.510 -0.073 0.000 1.093 431 N CA 0.621 53.596 53.050 -0.125 0.000 0.699 431 N CB -1.177 37.276 38.487 -0.056 0.000 1.016 431 N HN 0.329 nan 8.380 nan 0.000 0.552 432 L N -1.617 119.547 121.223 -0.098 0.000 2.701 432 L HA 0.356 4.695 4.340 -0.001 0.000 0.238 432 L C 0.674 177.498 176.870 -0.077 0.000 1.106 432 L CA 0.235 54.998 54.840 -0.128 0.000 0.898 432 L CB 0.247 42.168 42.059 -0.230 0.000 1.188 432 L HN 0.096 nan 8.230 nan 0.000 0.508 433 L N -1.311 119.892 121.223 -0.033 0.000 2.350 433 L HA 0.320 4.660 4.340 -0.001 0.000 0.260 433 L C 0.952 177.888 176.870 0.110 0.000 1.015 433 L CA -0.227 54.621 54.840 0.013 0.000 0.821 433 L CB 2.432 44.490 42.059 -0.001 0.000 1.370 433 L HN -0.070 nan 8.230 nan 0.000 0.416 434 S N -1.370 114.377 115.700 0.078 0.000 2.439 434 S HA 0.134 4.603 4.470 -0.001 0.000 0.224 434 S C 0.656 175.249 174.600 -0.011 0.000 1.029 434 S CA -0.160 58.106 58.200 0.109 0.000 0.946 434 S CB 0.185 63.402 63.200 0.029 0.000 0.797 434 S HN 0.532 nan 8.310 nan 0.000 0.504 438 G N 0.876 109.626 108.800 -0.084 0.000 4.716 438 G HA2 0.519 4.478 3.960 -0.001 0.000 0.282 438 G HA3 0.519 4.478 3.960 -0.001 0.000 0.282 438 G C 0.634 175.535 174.900 0.002 0.000 1.173 438 G CA 0.526 45.597 45.100 -0.048 0.000 0.913 438 G HN 1.328 nan 8.290 nan 0.000 0.566 439 S N -0.707 115.022 115.700 0.049 0.000 2.593 439 S HA 0.175 4.644 4.470 -0.001 0.000 0.269 439 S C 0.697 175.297 174.600 -0.001 0.000 1.334 439 S CA -0.188 58.029 58.200 0.028 0.000 1.015 439 S CB 1.753 64.980 63.200 0.045 0.000 0.912 439 S HN 0.032 nan 8.310 nan 0.000 0.541 440 D N 1.015 121.375 120.400 -0.068 0.000 2.178 440 D HA -0.059 4.580 4.640 -0.001 0.000 0.201 440 D C 1.826 177.991 176.300 -0.225 0.000 0.980 440 D CA 1.388 55.331 54.000 -0.094 0.000 0.842 440 D CB -0.166 40.577 40.800 -0.096 0.000 0.948 440 D HN 0.782 nan 8.370 nan 0.000 0.472 441 E N -0.314 119.632 120.200 -0.424 0.000 2.047 441 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 441 E C 1.993 178.436 176.600 -0.262 0.000 0.987 441 E CA 0.623 56.559 56.400 -0.773 0.000 0.799 441 E CB -0.102 29.002 29.700 -0.994 0.000 0.752 441 E HN 0.442 nan 8.360 nan 0.000 0.449 442 H N 0.530 119.545 119.070 -0.091 0.000 2.421 442 H HA -0.108 4.447 4.556 -0.001 0.000 0.298 442 H C 1.723 177.096 175.328 0.075 0.000 1.087 442 H CA 1.448 57.508 56.048 0.021 0.000 1.330 442 H CB -0.005 29.756 29.762 -0.003 0.000 1.388 442 H HN 0.179 nan 8.280 nan 0.000 0.526 443 D N 0.271 120.765 120.400 0.158 0.000 2.097 443 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 443 D C 2.217 178.582 176.300 0.107 0.000 0.984 443 D CA 0.425 54.530 54.000 0.175 0.000 0.826 443 D CB -0.002 40.886 40.800 0.146 0.000 0.973 443 D HN 0.125 nan 8.370 nan 0.000 0.460 444 I N 0.811 121.389 120.570 0.012 0.000 2.439 444 I HA -0.165 4.004 4.170 -0.001 0.000 0.251 444 I C 1.765 177.851 176.117 -0.050 0.000 1.139 444 I CA 0.796 62.040 61.300 -0.093 0.000 1.438 444 I CB -1.051 36.820 38.000 -0.215 0.000 1.085 444 I HN 0.075 nan 8.210 nan 0.000 0.427 445 N N 1.054 119.818 118.700 0.105 0.000 2.069 445 N HA -0.229 4.511 4.740 -0.001 0.000 0.191 445 N C 1.778 177.440 175.510 0.254 0.000 1.031 445 N CA 1.194 54.382 53.050 0.230 0.000 0.852 445 N CB -0.668 38.006 38.487 0.312 0.000 1.018 445 N HN 0.291 nan 8.380 nan 0.000 0.423 446 F N 1.483 121.485 119.950 0.087 0.000 2.102 446 F HA -0.024 4.502 4.527 -0.001 0.000 0.298 446 F C 2.003 177.847 175.800 0.074 0.000 1.105 446 F CA 1.065 59.096 58.000 0.052 0.000 1.239 446 F CB -0.570 38.464 39.000 0.056 0.000 0.991 446 F HN -0.043 nan 8.300 nan 0.000 0.474 447 L N -0.445 120.657 121.223 -0.202 0.000 2.083 447 L HA -0.247 4.092 4.340 -0.001 0.000 0.209 447 L C 2.509 179.378 176.870 -0.001 0.000 1.083 447 L CA 1.517 56.228 54.840 -0.215 0.000 0.752 447 L CB -0.635 41.332 42.059 -0.153 0.000 0.899 447 L HN 0.324 nan 8.230 nan 0.000 0.433 448 M N 0.408 120.012 119.600 0.006 0.000 2.086 448 M HA -0.217 4.262 4.480 -0.001 0.000 0.261 448 M C 2.170 178.560 176.300 0.149 0.000 1.067 448 M CA 1.857 57.207 55.300 0.083 0.000 1.116 448 M CB -0.312 32.345 32.600 0.096 0.000 1.348 448 M HN -0.088 nan 8.290 nan 0.000 0.407 449 K N -0.129 120.334 120.400 0.107 0.000 2.063 449 K HA -0.127 4.193 4.320 -0.001 0.000 0.208 449 K C 1.725 178.320 176.600 -0.008 0.000 1.048 449 K CA 1.887 58.176 56.287 0.003 0.000 0.928 449 K CB -0.270 32.083 32.500 -0.244 0.000 0.713 449 K HN 0.342 nan 8.250 nan 0.000 0.442 450 M N 0.019 119.566 119.600 -0.088 0.000 2.175 450 M HA 0.010 4.489 4.480 -0.001 0.000 0.264 450 M C 2.301 178.715 176.300 0.191 0.000 1.063 450 M CA 1.707 57.024 55.300 0.027 0.000 1.119 450 M CB -1.241 31.335 32.600 -0.040 0.000 1.377 450 M HN 0.307 nan 8.290 nan 0.000 0.415 451 A N 0.468 123.378 122.820 0.149 0.000 1.933 451 A HA -0.102 4.217 4.320 -0.001 0.000 0.218 451 A C 2.297 179.833 177.584 -0.081 0.000 1.175 451 A CA 1.167 53.089 52.037 -0.192 0.000 0.628 451 A CB -0.948 17.886 19.000 -0.276 0.000 0.814 451 A HN 0.468 nan 8.150 nan 0.000 0.444 452 L N -0.733 120.526 121.223 0.060 0.000 2.127 452 L HA -0.225 4.114 4.340 -0.001 0.000 0.211 452 L C 2.283 179.199 176.870 0.076 0.000 1.089 452 L CA 1.815 56.737 54.840 0.137 0.000 0.757 452 L CB -0.447 41.777 42.059 0.276 0.000 0.899 452 L HN 0.482 nan 8.230 nan 0.000 0.434 453 D N -0.581 119.870 120.400 0.084 0.000 2.214 453 D HA -0.111 4.529 4.640 -0.001 0.000 0.217 453 D C 2.178 178.594 176.300 0.194 0.000 0.973 453 D CA 0.901 54.967 54.000 0.110 0.000 0.880 453 D CB 0.277 41.126 40.800 0.082 0.000 1.031 453 D HN -0.100 nan 8.370 nan 0.000 0.468 454 K N 0.329 120.852 120.400 0.204 0.000 2.076 454 K HA 0.024 4.344 4.320 -0.001 0.000 0.204 454 K C 2.072 178.813 176.600 0.235 0.000 1.051 454 K CA 0.434 56.942 56.287 0.369 0.000 0.949 454 K CB -0.128 32.586 32.500 0.356 0.000 0.726 454 K HN 0.287 nan 8.250 nan 0.000 0.443 455 I N 1.184 121.701 120.570 -0.088 0.000 2.277 455 I HA -0.086 4.083 4.170 -0.001 0.000 0.243 455 I C 2.366 178.433 176.117 -0.083 0.000 1.094 455 I CA 0.879 62.077 61.300 -0.170 0.000 1.393 455 I CB -1.432 36.351 38.000 -0.362 0.000 1.078 455 I HN -0.032 nan 8.210 nan 0.000 0.417 456 A N 0.365 123.048 122.820 -0.228 0.000 1.978 456 A HA -0.261 4.058 4.320 -0.001 0.000 0.220 456 A C 2.239 179.681 177.584 -0.237 0.000 1.170 456 A CA 1.346 53.072 52.037 -0.518 0.000 0.636 456 A CB -1.054 17.110 19.000 -1.395 0.000 0.810 456 A HN 0.376 nan 8.150 nan 0.000 0.448 457 F N 0.501 120.327 119.950 -0.206 0.000 2.293 457 F HA -0.089 4.437 4.527 -0.001 0.000 0.300 457 F C 1.867 177.604 175.800 -0.105 0.000 1.086 457 F CA 0.451 58.351 58.000 -0.167 0.000 1.375 457 F CB -0.019 38.772 39.000 -0.348 0.000 1.045 457 F HN 0.113 nan 8.300 nan 0.000 0.516 458 I N 2.106 122.630 120.570 -0.077 0.000 2.091 458 I HA -0.243 3.926 4.170 -0.001 0.000 0.239 458 I C -0.209 175.949 176.117 0.068 0.000 1.061 458 I CA 1.926 63.218 61.300 -0.013 0.000 1.317 458 I CB -2.799 35.200 38.000 -0.001 0.000 1.031 458 I HN 0.096 nan 8.210 nan 0.000 0.401 459 P HA -0.194 nan 4.420 nan 0.000 0.219 459 P C 2.027 179.254 177.300 -0.122 0.000 1.150 459 P CA 1.389 64.514 63.100 0.042 0.000 0.814 459 P CB -0.304 31.339 31.700 -0.095 0.000 0.787 460 F N 2.586 122.354 119.950 -0.303 0.000 2.102 460 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 460 F C 2.383 177.908 175.800 -0.459 0.000 1.105 460 F CA 2.299 60.078 58.000 -0.367 0.000 1.239 460 F CB -0.734 38.083 39.000 -0.306 0.000 0.991 460 F HN -0.047 nan 8.300 nan 0.000 0.474 461 S N -1.172 114.235 115.700 -0.489 0.000 2.423 461 S HA -0.265 4.204 4.470 -0.001 0.000 0.231 461 S C 1.930 176.431 174.600 -0.164 0.000 1.014 461 S CA 0.998 59.002 58.200 -0.327 0.000 0.965 461 S CB -1.369 61.462 63.200 -0.613 0.000 0.785 461 S HN 0.589 nan 8.310 nan 0.000 0.495 462 Y N 1.694 121.754 120.300 -0.399 0.000 2.457 462 Y HA 0.295 4.844 4.550 -0.001 0.000 0.292 462 Y C 1.894 177.271 175.900 -0.872 0.000 1.125 462 Y CA 0.735 58.367 58.100 -0.780 0.000 1.254 462 Y CB -0.088 37.776 38.460 -0.994 0.000 1.012 462 Y HN 0.385 nan 8.280 nan 0.000 0.555 463 L N -1.558 119.199 121.223 -0.777 0.000 2.307 463 L HA 0.010 4.349 4.340 -0.001 0.000 0.211 463 L C 1.689 178.118 176.870 -0.735 0.000 1.099 463 L CA 0.583 54.945 54.840 -0.796 0.000 0.816 463 L CB -0.253 41.398 42.059 -0.679 0.000 0.952 463 L HN 0.005 nan 8.230 nan 0.000 0.455 464 V N 0.445 119.889 119.914 -0.782 0.000 2.307 464 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 464 V C 1.859 177.748 176.094 -0.343 0.000 1.045 464 V CA 2.085 64.029 62.300 -0.592 0.000 1.024 464 V CB -0.520 30.775 31.823 -0.881 0.000 0.651 464 V HN 0.456 nan 8.190 nan 0.000 0.449 465 D N -1.145 118.935 120.400 -0.533 0.000 2.323 465 D HA -0.049 4.590 4.640 -0.001 0.000 0.209 465 D C 2.332 177.887 176.300 -1.241 0.000 0.973 465 D CA 0.284 53.804 54.000 -0.800 0.000 0.874 465 D CB -0.084 40.198 40.800 -0.864 0.000 0.930 465 D HN 0.328 nan 8.370 nan 0.000 0.521 466 Q N -0.566 118.623 119.800 -1.019 0.000 2.096 466 Q HA -0.166 4.173 4.340 -0.001 0.000 0.204 466 Q C 2.015 177.851 176.000 -0.273 0.000 0.982 466 Q CA 0.944 56.350 55.803 -0.661 0.000 0.850 466 Q CB -0.619 27.761 28.738 -0.597 0.000 0.901 466 Q HN 0.484 nan 8.270 nan 0.000 0.422 467 W N 1.733 122.814 121.300 -0.365 0.000 2.354 467 W HA -0.132 4.527 4.660 -0.001 0.000 0.315 467 W C 2.333 178.740 176.519 -0.187 0.000 1.206 467 W CA 1.535 58.775 57.345 -0.175 0.000 1.290 467 W CB -0.141 29.288 29.460 -0.050 0.000 1.152 467 W HN 0.008 nan 8.180 nan 0.000 0.489 468 R N -0.709 119.702 120.500 -0.148 0.000 2.081 468 R HA -0.202 4.138 4.340 -0.001 0.000 0.235 468 R C 2.025 177.997 176.300 -0.546 0.000 1.131 468 R CA 1.896 57.697 56.100 -0.499 0.000 0.960 468 R CB -1.023 29.122 30.300 -0.258 0.000 0.856 468 R HN 0.255 nan 8.270 nan 0.000 0.436 469 W N 0.825 121.952 121.300 -0.288 0.000 2.342 469 W HA -0.102 4.558 4.660 -0.001 0.000 0.297 469 W C 2.000 178.410 176.519 -0.182 0.000 1.213 469 W CA 0.701 57.955 57.345 -0.152 0.000 1.251 469 W CB -0.621 28.793 29.460 -0.078 0.000 1.136 469 W HN 0.126 nan 8.180 nan 0.000 0.526 470 R N -0.474 120.005 120.500 -0.034 0.000 2.153 470 R HA -0.026 4.313 4.340 -0.001 0.000 0.218 470 R C 2.051 178.227 176.300 -0.206 0.000 1.072 470 R CA 0.971 57.014 56.100 -0.096 0.000 0.990 470 R CB -0.645 29.599 30.300 -0.093 0.000 0.889 470 R HN 0.009 nan 8.270 nan 0.000 0.452 471 V N 0.652 120.300 119.914 -0.443 0.000 2.295 471 V HA -0.237 3.882 4.120 -0.001 0.000 0.246 471 V C 1.961 177.950 176.094 -0.175 0.000 1.049 471 V CA 1.840 63.888 62.300 -0.420 0.000 1.024 471 V CB -0.513 30.834 31.823 -0.793 0.000 0.648 471 V HN 0.236 nan 8.190 nan 0.000 0.447 472 F N 1.386 121.237 119.950 -0.165 0.000 2.171 472 F HA -0.185 4.341 4.527 -0.001 0.000 0.300 472 F C 2.306 178.022 175.800 -0.139 0.000 1.090 472 F CA 1.165 59.054 58.000 -0.184 0.000 1.293 472 F CB -0.350 38.500 39.000 -0.249 0.000 1.013 472 F HN 0.402 nan 8.300 nan 0.000 0.486 473 D N -0.423 120.021 120.400 0.074 0.000 2.349 473 D HA 0.056 4.695 4.640 -0.001 0.000 0.224 473 D C 1.663 177.963 176.300 -0.001 0.000 1.029 473 D CA 0.962 54.973 54.000 0.019 0.000 0.879 473 D CB -0.159 40.648 40.800 0.012 0.000 0.906 473 D HN 0.339 nan 8.370 nan 0.000 0.528 474 G N -0.032 108.765 108.800 -0.006 0.000 2.176 474 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.253 474 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.253 474 G C 1.175 176.064 174.900 -0.019 0.000 0.979 474 G CA 0.830 45.922 45.100 -0.013 0.000 0.641 474 G HN 0.652 nan 8.290 nan 0.000 0.530 475 S N -0.821 114.866 115.700 -0.023 0.000 2.461 475 S HA 0.362 4.831 4.470 -0.001 0.000 0.228 475 S C 0.945 175.533 174.600 -0.020 0.000 1.005 475 S CA 0.761 58.952 58.200 -0.016 0.000 0.942 475 S CB 0.235 63.431 63.200 -0.006 0.000 0.776 475 S HN 0.576 nan 8.310 nan 0.000 0.514 476 I N 3.210 123.753 120.570 -0.045 0.000 2.355 476 I HA 0.282 4.452 4.170 -0.001 0.000 0.288 476 I C 0.483 176.590 176.117 -0.016 0.000 0.999 476 I CA -0.561 60.725 61.300 -0.024 0.000 1.163 476 I CB 1.777 39.730 38.000 -0.078 0.000 1.316 476 I HN 0.159 nan 8.210 nan 0.000 0.454 477 T N 1.632 116.155 114.554 -0.051 0.000 2.847 477 T HA 0.230 4.579 4.350 -0.001 0.000 0.279 477 T C 1.135 175.573 174.700 -0.435 0.000 0.984 477 T CA -0.700 61.311 62.100 -0.148 0.000 0.988 477 T CB 1.221 70.021 68.868 -0.113 0.000 1.040 477 T HN 0.762 nan 8.240 nan 0.000 0.528 478 K N 0.205 120.199 120.400 -0.677 0.000 2.280 478 K HA -0.125 4.195 4.320 -0.001 0.000 0.202 478 K C 1.735 177.966 176.600 -0.614 0.000 1.047 478 K CA 1.592 57.129 56.287 -1.250 0.000 0.942 478 K CB -0.211 31.887 32.500 -0.669 0.000 0.739 478 K HN 0.732 nan 8.250 nan 0.000 0.457 479 E N 0.398 120.418 120.200 -0.299 0.000 2.204 479 E HA -0.059 4.290 4.350 -0.001 0.000 0.194 479 E C 0.707 177.287 176.600 -0.033 0.000 0.989 479 E CA 0.822 57.149 56.400 -0.122 0.000 0.824 479 E CB 0.171 29.828 29.700 -0.071 0.000 0.756 479 E HN 0.429 nan 8.360 nan 0.000 0.477 480 N N -1.118 117.567 118.700 -0.026 0.000 2.170 480 N HA 0.060 4.800 4.740 -0.001 0.000 0.222 480 N C 0.414 176.118 175.510 0.324 0.000 1.218 480 N CA -0.052 53.075 53.050 0.128 0.000 0.889 480 N CB 0.229 38.778 38.487 0.102 0.000 1.083 480 N HN 0.249 nan 8.380 nan 0.000 0.520 481 Y N 1.529 122.017 120.300 0.313 0.000 2.002 481 Y HA -0.340 4.209 4.550 -0.001 0.000 0.268 481 Y C 2.299 178.569 175.900 0.616 0.000 1.177 481 Y CA 1.318 59.762 58.100 0.573 0.000 1.111 481 Y CB -0.090 38.744 38.460 0.623 0.000 0.952 481 Y HN 0.123 nan 8.280 nan 0.000 0.491 482 N N -0.371 118.695 118.700 0.609 0.000 2.216 482 N HA -0.143 4.596 4.740 -0.001 0.000 0.183 482 N C 1.593 177.417 175.510 0.523 0.000 1.017 482 N CA 1.220 54.548 53.050 0.464 0.000 0.861 482 N CB -0.113 38.609 38.487 0.391 0.000 0.986 482 N HN 0.272 nan 8.380 nan 0.000 0.428 483 Q N 0.188 120.246 119.800 0.429 0.000 2.084 483 Q HA -0.045 4.294 4.340 -0.001 0.000 0.202 483 Q C 1.572 177.796 176.000 0.374 0.000 0.978 483 Q CA 1.080 57.106 55.803 0.371 0.000 0.844 483 Q CB -0.031 28.860 28.738 0.254 0.000 0.898 483 Q HN 0.322 nan 8.270 nan 0.000 0.426 484 E N -0.413 120.031 120.200 0.407 0.000 2.152 484 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 484 E C 1.450 178.306 176.600 0.428 0.000 0.983 484 E CA 0.398 57.031 56.400 0.389 0.000 0.818 484 E CB -0.359 29.569 29.700 0.380 0.000 0.758 484 E HN 0.515 nan 8.360 nan 0.000 0.467 485 W N 0.444 121.861 121.300 0.195 0.000 2.333 485 W HA -0.236 4.423 4.660 -0.002 0.000 0.316 485 W C 1.421 177.755 176.519 -0.309 0.000 1.215 485 W CA 1.205 58.352 57.345 -0.331 0.000 1.278 485 W CB -0.724 28.263 29.460 -0.789 0.000 1.154 485 W HN 0.109 nan 8.180 nan 0.000 0.486 486 W N 0.906 122.280 121.300 0.124 0.000 2.363 486 W HA -0.175 4.484 4.660 -0.001 0.000 0.296 486 W C 2.960 179.476 176.519 -0.005 0.000 1.212 486 W CA 1.738 59.099 57.345 0.027 0.000 1.260 486 W CB -0.907 28.639 29.460 0.143 0.000 1.131 486 W HN -0.252 nan 8.180 nan 0.000 0.530 487 S N 0.698 116.528 115.700 0.216 0.000 2.370 487 S HA -0.196 4.273 4.470 -0.001 0.000 0.226 487 S C 1.767 176.376 174.600 0.014 0.000 1.033 487 S CA 1.408 59.684 58.200 0.126 0.000 1.011 487 S CB -0.556 62.719 63.200 0.125 0.000 0.852 487 S HN 0.205 nan 8.310 nan 0.000 0.457 488 L N 0.609 121.798 121.223 -0.056 0.000 2.131 488 L HA 0.017 4.356 4.340 -0.001 0.000 0.206 488 L C 2.702 179.469 176.870 -0.172 0.000 1.087 488 L CA 0.705 55.484 54.840 -0.103 0.000 0.767 488 L CB -0.383 41.633 42.059 -0.071 0.000 0.917 488 L HN 0.133 nan 8.230 nan 0.000 0.441 489 R N 0.112 120.385 120.500 -0.379 0.000 2.091 489 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 489 R C 2.194 178.457 176.300 -0.062 0.000 1.136 489 R CA 1.432 57.321 56.100 -0.352 0.000 0.959 489 R CB -0.871 29.052 30.300 -0.629 0.000 0.856 489 R HN 0.254 nan 8.270 nan 0.000 0.437 490 L N 1.543 122.782 121.223 0.027 0.000 1.988 490 L HA -0.123 4.216 4.340 -0.001 0.000 0.207 490 L C 2.450 179.371 176.870 0.086 0.000 1.071 490 L CA 1.931 56.793 54.840 0.037 0.000 0.744 490 L CB -0.609 41.541 42.059 0.153 0.000 0.893 490 L HN 0.015 nan 8.230 nan 0.000 0.433 491 K N -1.660 118.767 120.400 0.045 0.000 2.032 491 K HA -0.243 4.076 4.320 -0.001 0.000 0.209 491 K C 2.054 178.684 176.600 0.050 0.000 1.048 491 K CA 2.367 58.638 56.287 -0.027 0.000 0.927 491 K CB -0.402 31.854 32.500 -0.407 0.000 0.712 491 K HN 0.475 nan 8.250 nan 0.000 0.441 492 Y N -0.265 120.150 120.300 0.190 0.000 2.301 492 Y HA 0.043 4.592 4.550 -0.001 0.000 0.295 492 Y C 2.318 178.377 175.900 0.265 0.000 1.126 492 Y CA 0.511 58.743 58.100 0.221 0.000 1.154 492 Y CB 0.315 38.737 38.460 -0.063 0.000 1.075 492 Y HN 0.077 nan 8.280 nan 0.000 0.534 493 Q N -0.517 119.418 119.800 0.225 0.000 2.402 493 Q HA 0.157 4.496 4.340 -0.001 0.000 0.206 493 Q C 1.022 177.003 176.000 -0.033 0.000 0.919 493 Q CA 0.481 56.407 55.803 0.205 0.000 0.923 493 Q CB 0.657 29.524 28.738 0.215 0.000 1.048 493 Q HN 0.578 nan 8.270 nan 0.000 0.515 494 G N 1.687 110.061 108.800 -0.709 0.000 2.295 494 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.287 494 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.287 494 G C -0.317 174.287 174.900 -0.494 0.000 1.055 494 G CA 0.163 44.161 45.100 -1.836 0.000 0.922 494 G HN 0.181 nan 8.290 nan 0.000 0.503 495 L N -0.895 120.243 121.223 -0.141 0.000 2.333 495 L HA 0.800 5.140 4.340 -0.001 0.000 0.269 495 L C 0.966 177.952 176.870 0.194 0.000 1.010 495 L CA -1.095 53.808 54.840 0.105 0.000 0.818 495 L CB 2.090 44.293 42.059 0.240 0.000 1.306 495 L HN 0.513 nan 8.230 nan 0.000 0.430 496 C N -0.434 118.969 119.300 0.172 0.000 2.707 496 C HA 0.785 5.245 4.460 -0.001 0.000 0.313 496 C C -2.688 172.183 174.990 -0.198 0.000 1.209 496 C CA -2.470 56.579 59.018 0.051 0.000 1.635 496 C CB 1.822 29.569 27.740 0.012 0.000 2.206 496 C HN 0.461 nan 8.230 nan 0.000 0.485 497 P HA 0.289 nan 4.420 nan 0.000 0.279 497 P C -2.063 174.849 177.300 -0.647 0.000 1.239 497 P CA -1.139 61.432 63.100 -0.882 0.000 0.789 497 P CB 0.712 31.699 31.700 -1.187 0.000 0.933 498 P HA -0.025 nan 4.420 nan 0.000 0.225 498 P C 0.132 177.162 177.300 -0.450 0.000 1.156 498 P CA 0.895 63.611 63.100 -0.641 0.000 0.787 498 P CB 0.514 31.510 31.700 -1.173 0.000 0.802 499 V N 2.559 122.225 119.914 -0.415 0.000 2.638 499 V HA 0.298 4.417 4.120 -0.001 0.000 0.306 499 V C -2.378 173.596 176.094 -0.201 0.000 1.052 499 V CA -2.272 59.892 62.300 -0.227 0.000 0.885 499 V CB 2.393 34.147 31.823 -0.116 0.000 0.999 499 V HN -0.088 nan 8.190 nan 0.000 0.424 500 P HA 0.089 nan 4.420 nan 0.000 0.264 500 P C -0.748 176.488 177.300 -0.107 0.000 1.183 500 P CA -0.167 62.834 63.100 -0.164 0.000 0.763 500 P CB 0.453 32.081 31.700 -0.120 0.000 0.807 501 R N 1.809 122.242 120.500 -0.111 0.000 2.531 501 R HA 0.513 4.852 4.340 -0.001 0.000 0.273 501 R C 0.858 177.163 176.300 0.008 0.000 1.070 501 R CA -0.191 55.892 56.100 -0.027 0.000 1.112 501 R CB -0.270 30.035 30.300 0.009 0.000 1.049 501 R HN 0.549 nan 8.270 nan 0.000 0.508 502 T N -2.056 112.516 114.554 0.030 0.000 2.907 502 T HA 0.309 4.658 4.350 -0.001 0.000 0.290 502 T C -0.026 174.703 174.700 0.049 0.000 1.066 502 T CA -1.045 61.072 62.100 0.029 0.000 1.012 502 T CB 1.537 70.412 68.868 0.011 0.000 1.184 502 T HN 0.160 nan 8.240 nan 0.000 0.522 503 Q N 0.120 119.944 119.800 0.041 0.000 2.349 503 Q HA 0.383 4.723 4.340 -0.001 0.000 0.287 503 Q C 1.494 177.517 176.000 0.038 0.000 1.044 503 Q CA 1.933 57.763 55.803 0.045 0.000 0.918 503 Q CB 0.561 29.316 28.738 0.028 0.000 1.242 503 Q HN 1.348 nan 8.270 nan 0.000 0.405 504 G N 2.942 111.772 108.800 0.049 0.000 2.258 504 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.233 504 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.233 504 G C -0.147 174.791 174.900 0.063 0.000 1.006 504 G CA 0.049 45.172 45.100 0.037 0.000 0.620 504 G HN 0.582 nan 8.290 nan 0.000 0.511 505 D N -0.171 120.279 120.400 0.082 0.000 2.382 505 D HA 0.544 5.184 4.640 -0.001 0.000 0.245 505 D C -0.454 175.965 176.300 0.199 0.000 1.120 505 D CA 0.386 54.442 54.000 0.094 0.000 0.890 505 D CB 0.944 41.797 40.800 0.088 0.000 1.201 505 D HN 0.167 nan 8.370 nan 0.000 0.433 506 F N 2.651 122.549 119.950 -0.085 0.000 2.971 506 F HA 0.168 4.695 4.527 -0.002 0.000 0.373 506 F C 0.433 176.027 175.800 -0.342 0.000 1.288 506 F CA -0.779 57.122 58.000 -0.165 0.000 1.204 506 F CB 0.552 39.473 39.000 -0.132 0.000 1.852 506 F HN 0.077 nan 8.300 nan 0.000 0.624 507 D N 2.916 122.971 120.400 -0.575 0.000 2.178 507 D HA -0.082 4.557 4.640 -0.001 0.000 0.201 507 D C -0.769 174.761 176.300 -1.284 0.000 0.980 507 D CA 1.273 54.860 54.000 -0.688 0.000 0.842 507 D CB -0.838 39.822 40.800 -0.234 0.000 0.948 507 D HN 0.366 nan 8.370 nan 0.000 0.472 508 P HA -0.100 nan 4.420 nan 0.000 0.217 508 P C 1.599 178.002 177.300 -1.496 0.000 1.148 508 P CA 1.485 63.167 63.100 -2.364 0.000 0.828 508 P CB -0.235 29.765 31.700 -2.833 0.000 0.783 509 G N -0.023 107.850 108.800 -1.544 0.000 2.470 509 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.220 509 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.220 509 G C 1.419 176.156 174.900 -0.271 0.000 1.121 509 G CA 0.643 45.343 45.100 -0.666 0.000 0.766 509 G HN 0.364 nan 8.290 nan 0.000 0.553 510 A N -0.810 121.831 122.820 -0.298 0.000 2.252 510 A HA 0.384 4.703 4.320 -0.001 0.000 0.207 510 A C 1.093 179.095 177.584 0.696 0.000 1.194 510 A CA 0.501 52.578 52.037 0.067 0.000 0.809 510 A CB -0.064 18.840 19.000 -0.161 0.000 0.814 510 A HN 0.216 nan 8.150 nan 0.000 0.482 511 K N -0.845 119.674 120.400 0.198 0.000 2.274 511 K HA 0.446 4.765 4.320 -0.001 0.000 0.262 511 K C 0.178 176.622 176.600 -0.260 0.000 0.961 511 K CA -1.104 55.171 56.287 -0.019 0.000 0.833 511 K CB 0.320 32.647 32.500 -0.287 0.000 1.102 511 K HN 0.054 nan 8.250 nan 0.000 0.436 512 F N 3.790 123.417 119.950 -0.539 0.000 2.063 512 F HA -0.305 4.221 4.527 -0.001 0.000 0.298 512 F C 1.072 176.465 175.800 -0.678 0.000 1.105 512 F CA 2.231 59.610 58.000 -1.035 0.000 1.215 512 F CB -0.102 38.355 39.000 -0.904 0.000 0.972 512 F HN 0.872 nan 8.300 nan 0.000 0.483 513 H N -0.259 118.600 119.070 -0.352 0.000 2.518 513 H HA -0.103 4.452 4.556 -0.001 0.000 0.289 513 H C 2.193 177.386 175.328 -0.225 0.000 1.051 513 H CA 1.344 57.264 56.048 -0.214 0.000 1.280 513 H CB -0.268 29.630 29.762 0.227 0.000 1.380 513 H HN 0.258 nan 8.280 nan 0.000 0.566 514 I N 0.869 121.319 120.570 -0.201 0.000 2.141 514 I HA -0.095 4.074 4.170 -0.001 0.000 0.236 514 I C -0.479 175.548 176.117 -0.151 0.000 1.071 514 I CA 0.761 61.978 61.300 -0.138 0.000 1.345 514 I CB -2.020 35.761 38.000 -0.365 0.000 1.066 514 I HN 0.175 nan 8.210 nan 0.000 0.406 515 P HA -0.061 nan 4.420 nan 0.000 0.220 515 P C 1.598 178.656 177.300 -0.403 0.000 1.148 515 P CA 1.264 64.197 63.100 -0.277 0.000 0.803 515 P CB -0.003 31.557 31.700 -0.233 0.000 0.782 516 S N -0.818 114.519 115.700 -0.603 0.000 2.562 516 S HA 0.020 4.489 4.470 -0.001 0.000 0.221 516 S C 0.894 175.300 174.600 -0.324 0.000 0.975 516 S CA 0.470 58.284 58.200 -0.643 0.000 0.918 516 S CB -0.888 61.482 63.200 -1.384 0.000 0.772 516 S HN 0.184 nan 8.310 nan 0.000 0.531 517 S N 0.967 116.581 115.700 -0.143 0.000 3.631 517 S HA -0.142 4.327 4.470 -0.001 0.000 0.366 517 S C -0.247 174.401 174.600 0.080 0.000 0.993 517 S CA 0.013 58.325 58.200 0.187 0.000 1.167 517 S CB -1.366 62.030 63.200 0.326 0.000 0.909 517 S HN 0.262 nan 8.310 nan 0.000 0.478 518 V N 3.214 123.140 119.914 0.019 0.000 2.370 518 V HA 0.425 4.544 4.120 -0.001 0.000 0.283 518 V C -1.811 174.311 176.094 0.046 0.000 1.023 518 V CA -1.795 60.497 62.300 -0.013 0.000 0.857 518 V CB 1.521 33.415 31.823 0.117 0.000 0.985 518 V HN 0.285 nan 8.190 nan 0.000 0.443 519 P HA 0.056 nan 4.420 nan 0.000 0.267 519 P C -0.389 177.022 177.300 0.185 0.000 1.200 519 P CA 0.336 63.314 63.100 -0.203 0.000 0.772 519 P CB 0.566 31.971 31.700 -0.492 0.000 0.855 520 Y N 1.745 122.145 120.300 0.165 0.000 2.483 520 Y HA 0.160 4.709 4.550 -0.001 0.000 0.258 520 Y C 1.878 177.877 175.900 0.166 0.000 1.083 520 Y CA 0.174 58.402 58.100 0.215 0.000 1.283 520 Y CB -0.053 38.446 38.460 0.065 0.000 1.178 520 Y HN 0.153 nan 8.280 nan 0.000 0.515 521 I N 1.666 122.353 120.570 0.195 0.000 2.423 521 I HA -0.288 3.881 4.170 -0.001 0.000 0.254 521 I C 2.491 178.712 176.117 0.173 0.000 1.151 521 I CA 1.392 62.775 61.300 0.137 0.000 1.421 521 I CB -0.397 37.686 38.000 0.139 0.000 1.079 521 I HN 0.232 nan 8.210 nan 0.000 0.431 522 R N -0.432 120.136 120.500 0.113 0.000 2.133 522 R HA -0.267 4.072 4.340 -0.001 0.000 0.247 522 R C 2.054 178.316 176.300 -0.063 0.000 1.151 522 R CA 2.277 58.393 56.100 0.025 0.000 0.971 522 R CB -1.557 28.617 30.300 -0.211 0.000 0.866 522 R HN 0.387 nan 8.270 nan 0.000 0.447 523 Y N -0.032 120.312 120.300 0.074 0.000 2.263 523 Y HA -0.098 4.451 4.550 -0.001 0.000 0.292 523 Y C 2.267 178.318 175.900 0.251 0.000 1.130 523 Y CA 1.010 59.189 58.100 0.131 0.000 1.179 523 Y CB -0.357 38.035 38.460 -0.113 0.000 0.998 523 Y HN 0.022 nan 8.280 nan 0.000 0.532 524 F N 0.183 120.226 119.950 0.155 0.000 2.084 524 F HA -0.213 4.313 4.527 -0.001 0.000 0.296 524 F C 2.166 178.071 175.800 0.175 0.000 1.111 524 F CA 1.323 59.394 58.000 0.119 0.000 1.224 524 F CB -0.687 38.353 39.000 0.067 0.000 0.991 524 F HN -0.211 nan 8.300 nan 0.000 0.471 525 V N -0.210 119.881 119.914 0.295 0.000 2.282 525 V HA -0.360 3.759 4.120 -0.001 0.000 0.249 525 V C 2.677 178.795 176.094 0.041 0.000 1.057 525 V CA 2.148 64.527 62.300 0.131 0.000 1.032 525 V CB -1.345 30.572 31.823 0.156 0.000 0.645 525 V HN 0.563 nan 8.190 nan 0.000 0.447 526 S N -0.508 115.281 115.700 0.147 0.000 2.365 526 S HA -0.238 4.231 4.470 -0.001 0.000 0.225 526 S C 1.866 176.541 174.600 0.126 0.000 1.039 526 S CA 2.050 60.334 58.200 0.139 0.000 1.033 526 S CB -0.444 62.941 63.200 0.309 0.000 0.887 526 S HN 0.476 nan 8.310 nan 0.000 0.447 527 F N 1.561 121.509 119.950 -0.004 0.000 2.234 527 F HA 0.061 4.588 4.527 -0.001 0.000 0.299 527 F C 2.157 177.962 175.800 0.007 0.000 1.087 527 F CA 0.417 58.438 58.000 0.035 0.000 1.340 527 F CB -0.424 38.664 39.000 0.146 0.000 1.031 527 F HN 0.252 nan 8.300 nan 0.000 0.500 528 I N 0.513 121.076 120.570 -0.012 0.000 2.163 528 I HA -0.234 3.935 4.170 -0.001 0.000 0.240 528 I C 2.524 178.574 176.117 -0.113 0.000 1.081 528 I CA 1.558 62.806 61.300 -0.086 0.000 1.353 528 I CB -1.351 36.534 38.000 -0.192 0.000 1.054 528 I HN 0.175 nan 8.210 nan 0.000 0.407 529 I N 0.004 120.404 120.570 -0.283 0.000 2.617 529 I HA -0.227 3.942 4.170 -0.001 0.000 0.256 529 I C 2.498 178.036 176.117 -0.965 0.000 1.167 529 I CA 0.894 61.812 61.300 -0.637 0.000 1.469 529 I CB -0.681 36.815 38.000 -0.841 0.000 1.098 529 I HN 0.308 nan 8.210 nan 0.000 0.436 530 Q N 1.171 120.589 119.800 -0.637 0.000 2.170 530 Q HA -0.174 4.165 4.340 -0.001 0.000 0.203 530 Q C 1.835 177.550 176.000 -0.476 0.000 0.976 530 Q CA 1.637 57.090 55.803 -0.584 0.000 0.858 530 Q CB -0.760 27.662 28.738 -0.527 0.000 0.907 530 Q HN 0.537 nan 8.270 nan 0.000 0.433 531 F N 1.664 121.442 119.950 -0.287 0.000 2.206 531 F HA -0.058 4.468 4.527 -0.001 0.000 0.298 531 F C 2.538 178.318 175.800 -0.034 0.000 1.090 531 F CA 1.341 59.253 58.000 -0.147 0.000 1.323 531 F CB -0.080 38.827 39.000 -0.155 0.000 1.028 531 F HN 0.076 nan 8.300 nan 0.000 0.492 532 Q N -0.566 119.262 119.800 0.047 0.000 2.084 532 Q HA -0.187 4.152 4.340 -0.001 0.000 0.202 532 Q C 2.116 178.243 176.000 0.211 0.000 0.978 532 Q CA 1.496 57.350 55.803 0.086 0.000 0.844 532 Q CB -0.372 28.378 28.738 0.021 0.000 0.898 532 Q HN 0.323 nan 8.270 nan 0.000 0.426 533 F N -0.150 119.790 119.950 -0.018 0.000 2.146 533 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 533 F C 2.296 178.085 175.800 -0.018 0.000 1.096 533 F CA 1.401 59.374 58.000 -0.046 0.000 1.275 533 F CB -1.367 37.564 39.000 -0.115 0.000 1.008 533 F HN 0.219 nan 8.300 nan 0.000 0.480 534 H N 0.277 119.376 119.070 0.048 0.000 2.289 534 H HA -0.189 4.367 4.556 -0.001 0.000 0.296 534 H C 2.296 177.650 175.328 0.045 0.000 1.091 534 H CA 2.383 58.416 56.048 -0.024 0.000 1.274 534 H CB -0.356 29.319 29.762 -0.145 0.000 1.364 534 H HN 0.368 nan 8.280 nan 0.000 0.490 535 E N -0.329 119.910 120.200 0.066 0.000 2.038 535 E HA -0.221 4.128 4.350 -0.001 0.000 0.195 535 E C 2.313 178.923 176.600 0.017 0.000 1.000 535 E CA 1.151 57.570 56.400 0.032 0.000 0.803 535 E CB -0.314 29.462 29.700 0.128 0.000 0.750 535 E HN 0.573 nan 8.360 nan 0.000 0.448 536 A N 0.602 123.463 122.820 0.068 0.000 1.902 536 A HA -0.159 4.160 4.320 -0.001 0.000 0.217 536 A C 2.088 179.680 177.584 0.013 0.000 1.181 536 A CA 1.163 53.235 52.037 0.058 0.000 0.623 536 A CB -0.530 18.528 19.000 0.097 0.000 0.818 536 A HN 0.294 nan 8.150 nan 0.000 0.443 537 L N -0.497 120.723 121.223 -0.005 0.000 2.093 537 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 537 L C 2.666 179.502 176.870 -0.056 0.000 1.085 537 L CA 1.348 56.170 54.840 -0.031 0.000 0.755 537 L CB -1.175 40.869 42.059 -0.026 0.000 0.904 537 L HN 0.518 nan 8.230 nan 0.000 0.435 538 c N -1.474 117.053 118.600 -0.121 0.000 2.446 538 c HA -0.154 4.415 4.570 -0.001 0.000 0.277 538 c C 2.822 176.911 174.090 -0.002 0.000 1.275 538 c CA 0.440 56.696 56.329 -0.122 0.000 1.727 538 c CB -0.694 41.642 42.510 -0.289 0.000 2.010 538 c HN 0.579 nan 8.230 nan 0.000 0.486 539 Q N 1.420 121.222 119.800 0.004 0.000 2.061 539 Q HA -0.187 4.153 4.340 -0.001 0.000 0.204 539 Q C 2.383 178.392 176.000 0.016 0.000 0.984 539 Q CA 2.407 58.225 55.803 0.025 0.000 0.846 539 Q CB -0.487 28.268 28.738 0.028 0.000 0.902 539 Q HN 0.627 nan 8.270 nan 0.000 0.421 540 A N 0.508 123.331 122.820 0.006 0.000 1.978 540 A HA -0.057 4.262 4.320 -0.001 0.000 0.220 540 A C 2.095 179.679 177.584 -0.000 0.000 1.170 540 A CA 1.793 53.830 52.037 0.000 0.000 0.636 540 A CB -0.595 18.401 19.000 -0.007 0.000 0.810 540 A HN 0.478 nan 8.150 nan 0.000 0.448 541 A N -1.891 120.931 122.820 0.003 0.000 2.251 541 A HA 0.422 4.741 4.320 -0.001 0.000 0.209 541 A C 1.721 179.320 177.584 0.024 0.000 1.187 541 A CA 1.120 53.162 52.037 0.009 0.000 0.823 541 A CB -0.893 18.112 19.000 0.008 0.000 0.846 541 A HN 1.883 nan 8.150 nan 0.000 0.486 542 G N -0.896 107.920 108.800 0.027 0.000 2.147 542 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.244 542 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.244 542 G C 0.073 174.990 174.900 0.028 0.000 1.005 542 G CA 0.460 45.571 45.100 0.018 0.000 0.713 542 G HN 1.064 nan 8.290 nan 0.000 0.515 543 H N 1.281 120.329 119.070 -0.036 0.000 2.848 543 H HA 0.551 5.106 4.556 -0.001 0.000 0.341 543 H C 0.914 176.217 175.328 -0.042 0.000 1.060 543 H CA 1.260 57.282 56.048 -0.044 0.000 1.444 543 H CB 0.711 30.436 29.762 -0.061 0.000 1.446 543 H HN 0.468 nan 8.280 nan 0.000 0.583 544 T N 1.907 116.060 114.554 -0.668 0.000 2.916 544 T HA 0.692 5.041 4.350 -0.001 0.000 0.292 544 T C 0.381 174.667 174.700 -0.690 0.000 1.064 544 T CA -0.183 61.635 62.100 -0.470 0.000 1.011 544 T CB 1.552 70.276 68.868 -0.240 0.000 1.152 544 T HN 1.242 nan 8.240 nan 0.000 0.510 545 G N 1.458 110.068 108.800 -0.317 0.000 2.660 545 G HA2 0.051 4.010 3.960 -0.001 0.000 0.247 545 G HA3 0.051 4.010 3.960 -0.001 0.000 0.247 545 G C -2.922 171.945 174.900 -0.055 0.000 1.328 545 G CA -0.783 44.200 45.100 -0.194 0.000 0.884 545 G HN 0.889 nan 8.290 nan 0.000 0.531 546 P HA 0.251 nan 4.420 nan 0.000 0.264 546 P C 1.240 178.548 177.300 0.014 0.000 1.183 546 P CA -0.391 62.694 63.100 -0.026 0.000 0.763 546 P CB 0.608 32.213 31.700 -0.158 0.000 0.807 547 L N 4.456 125.699 121.223 0.034 0.000 2.079 547 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 547 L C 2.214 179.026 176.870 -0.096 0.000 1.081 547 L CA 1.861 56.717 54.840 0.026 0.000 0.752 547 L CB -1.311 40.825 42.059 0.128 0.000 0.896 547 L HN 0.564 nan 8.230 nan 0.000 0.433 548 H N -1.103 117.769 119.070 -0.331 0.000 2.545 548 H HA -0.096 4.459 4.556 -0.001 0.000 0.282 548 H C 1.398 176.684 175.328 -0.070 0.000 1.020 548 H CA 1.109 56.839 56.048 -0.529 0.000 1.243 548 H CB -0.272 28.980 29.762 -0.848 0.000 1.377 548 H HN 0.435 nan 8.280 nan 0.000 0.581 549 K N 0.472 120.600 120.400 -0.455 0.000 2.404 549 K HA 0.079 4.398 4.320 -0.001 0.000 0.194 549 K C 0.519 176.984 176.600 -0.226 0.000 1.023 549 K CA -0.031 56.089 56.287 -0.278 0.000 1.094 549 K CB 0.300 32.663 32.500 -0.229 0.000 0.841 549 K HN 0.184 nan 8.250 nan 0.000 0.523 550 c N 2.291 120.616 118.600 -0.458 0.000 2.637 550 c HA 0.154 4.723 4.570 -0.001 0.000 0.418 550 c C -0.317 173.697 174.090 -0.127 0.000 1.319 550 c CA -0.309 55.622 56.329 -0.663 0.000 1.949 550 c CB -0.148 41.843 42.510 -0.865 0.000 2.639 550 c HN 0.327 nan 8.230 nan 0.000 0.594 551 D N 3.965 124.331 120.400 -0.056 0.000 2.542 551 D HA 0.271 4.911 4.640 -0.001 0.000 0.252 551 D C 0.512 176.894 176.300 0.137 0.000 1.222 551 D CA -0.621 53.444 54.000 0.109 0.000 0.895 551 D CB 0.815 41.703 40.800 0.146 0.000 1.207 551 D HN 0.624 nan 8.370 nan 0.000 0.558 552 I N 1.287 121.977 120.570 0.200 0.000 3.735 552 I HA 0.260 4.429 4.170 -0.001 0.000 0.310 552 I C 0.313 176.515 176.117 0.142 0.000 1.270 552 I CA -0.558 60.832 61.300 0.151 0.000 1.207 552 I CB -0.503 37.572 38.000 0.124 0.000 1.013 552 I HN 0.206 nan 8.210 nan 0.000 0.452 553 Y N 3.283 123.572 120.300 -0.019 0.000 2.810 553 Y HA -0.124 4.425 4.550 -0.001 0.000 0.332 553 Y C 1.411 177.162 175.900 -0.248 0.000 1.243 553 Y CA 1.039 58.866 58.100 -0.454 0.000 1.537 553 Y CB 0.216 38.418 38.460 -0.430 0.000 1.265 553 Y HN 0.491 nan 8.280 nan 0.000 0.572 554 Q N 2.068 121.314 119.800 -0.922 0.000 2.374 554 Q HA -0.286 4.053 4.340 -0.001 0.000 0.218 554 Q C -0.306 175.535 176.000 -0.266 0.000 0.691 554 Q CA 0.926 56.365 55.803 -0.605 0.000 1.340 554 Q CB -1.289 27.173 28.738 -0.460 0.000 1.498 554 Q HN 0.627 nan 8.270 nan 0.000 0.739 555 S N 0.302 115.895 115.700 -0.178 0.000 2.430 555 S HA 0.166 4.635 4.470 -0.001 0.000 0.282 555 S C 0.997 175.549 174.600 -0.080 0.000 1.186 555 S CA -0.471 57.676 58.200 -0.088 0.000 1.060 555 S CB 0.640 63.816 63.200 -0.040 0.000 0.966 555 S HN 0.197 nan 8.310 nan 0.000 0.501 556 K N 4.108 124.465 120.400 -0.072 0.000 2.155 556 K HA -0.013 4.306 4.320 -0.001 0.000 0.203 556 K C 1.556 178.132 176.600 -0.041 0.000 1.052 556 K CA 1.079 57.332 56.287 -0.057 0.000 0.948 556 K CB -0.205 32.264 32.500 -0.052 0.000 0.728 556 K HN 0.611 nan 8.250 nan 0.000 0.448 557 E N 1.066 121.245 120.200 -0.035 0.000 2.077 557 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 557 E C 1.939 178.521 176.600 -0.029 0.000 0.989 557 E CA 1.390 57.774 56.400 -0.027 0.000 0.800 557 E CB -0.287 29.401 29.700 -0.020 0.000 0.746 557 E HN 0.305 nan 8.360 nan 0.000 0.452 558 A N 0.500 123.301 122.820 -0.031 0.000 1.873 558 A HA -0.039 4.281 4.320 -0.001 0.000 0.215 558 A C 2.475 180.034 177.584 -0.042 0.000 1.186 558 A CA 1.685 53.702 52.037 -0.033 0.000 0.616 558 A CB -1.276 17.712 19.000 -0.020 0.000 0.823 558 A HN 0.352 nan 8.150 nan 0.000 0.442 559 G N -0.885 107.892 108.800 -0.038 0.000 2.442 559 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.219 559 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.219 559 G C 1.625 176.500 174.900 -0.042 0.000 1.141 559 G CA 1.451 46.530 45.100 -0.034 0.000 0.763 559 G HN 0.540 nan 8.290 nan 0.000 0.554 560 Q N 0.362 120.139 119.800 -0.039 0.000 2.119 560 Q HA 0.033 4.372 4.340 -0.001 0.000 0.201 560 Q C 2.682 178.655 176.000 -0.044 0.000 0.972 560 Q CA 1.146 56.927 55.803 -0.036 0.000 0.847 560 Q CB -0.232 28.490 28.738 -0.027 0.000 0.903 560 Q HN 0.444 nan 8.270 nan 0.000 0.433 561 R N -0.372 120.097 120.500 -0.052 0.000 2.073 561 R HA -0.099 4.241 4.340 -0.001 0.000 0.234 561 R C 2.383 178.620 176.300 -0.105 0.000 1.134 561 R CA 1.480 57.540 56.100 -0.067 0.000 0.952 561 R CB -0.605 29.654 30.300 -0.068 0.000 0.850 561 R HN 0.327 nan 8.270 nan 0.000 0.433 562 L N 0.266 121.413 121.223 -0.126 0.000 2.017 562 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 562 L C 2.760 179.535 176.870 -0.158 0.000 1.073 562 L CA 1.390 56.126 54.840 -0.174 0.000 0.745 562 L CB -0.664 41.306 42.059 -0.149 0.000 0.894 562 L HN 0.237 nan 8.230 nan 0.000 0.432 563 A N -0.420 122.336 122.820 -0.106 0.000 1.877 563 A HA -0.207 4.112 4.320 -0.001 0.000 0.216 563 A C 2.356 179.902 177.584 -0.063 0.000 1.186 563 A CA 2.376 54.359 52.037 -0.089 0.000 0.620 563 A CB -0.972 17.995 19.000 -0.055 0.000 0.822 563 A HN 0.399 nan 8.150 nan 0.000 0.443 564 T N 0.385 114.913 114.554 -0.044 0.000 2.684 564 T HA -0.059 4.290 4.350 -0.001 0.000 0.267 564 T C 2.218 176.918 174.700 0.000 0.000 1.036 564 T CA 1.751 63.843 62.100 -0.014 0.000 1.148 564 T CB -0.492 68.369 68.868 -0.010 0.000 0.863 564 T HN 0.608 nan 8.240 nan 0.000 0.436 565 A N 1.316 124.123 122.820 -0.021 0.000 1.877 565 A HA -0.013 4.307 4.320 -0.001 0.000 0.216 565 A C 2.360 179.971 177.584 0.045 0.000 1.186 565 A CA 1.480 53.531 52.037 0.023 0.000 0.620 565 A CB -0.671 18.332 19.000 0.005 0.000 0.822 565 A HN 0.446 nan 8.150 nan 0.000 0.443 566 M N -0.758 118.783 119.600 -0.099 0.000 2.229 566 M HA -0.136 4.343 4.480 -0.001 0.000 0.264 566 M C 1.967 178.364 176.300 0.162 0.000 1.063 566 M CA 1.431 56.613 55.300 -0.196 0.000 1.114 566 M CB -0.311 31.914 32.600 -0.625 0.000 1.387 566 M HN 0.327 nan 8.290 nan 0.000 0.420 567 K N 0.517 120.974 120.400 0.095 0.000 2.280 567 K HA -0.085 4.235 4.320 -0.001 0.000 0.202 567 K C 1.726 178.446 176.600 0.201 0.000 1.047 567 K CA 0.921 57.300 56.287 0.152 0.000 0.942 567 K CB -0.230 32.318 32.500 0.080 0.000 0.739 567 K HN 0.379 nan 8.250 nan 0.000 0.457 568 L N 0.256 121.588 121.223 0.182 0.000 2.275 568 L HA -0.112 4.227 4.340 -0.001 0.000 0.215 568 L C 1.625 178.610 176.870 0.191 0.000 1.119 568 L CA 0.671 55.602 54.840 0.151 0.000 0.790 568 L CB -1.168 40.954 42.059 0.106 0.000 0.919 568 L HN 0.404 nan 8.230 nan 0.000 0.443 569 G N 0.739 109.743 108.800 0.340 0.000 2.652 569 G HA2 -0.434 3.525 3.960 -0.001 0.000 0.318 569 G HA3 -0.434 3.525 3.960 -0.001 0.000 0.318 569 G C 0.268 175.289 174.900 0.201 0.000 1.295 569 G CA 0.779 46.046 45.100 0.279 0.000 0.999 569 G HN 0.272 nan 8.290 nan 0.000 0.548 570 F N 2.418 122.331 119.950 -0.061 0.000 2.660 570 F HA 0.412 4.939 4.527 -0.001 0.000 0.297 570 F C 2.414 178.207 175.800 -0.011 0.000 1.132 570 F CA 0.779 58.755 58.000 -0.040 0.000 1.372 570 F CB 0.035 38.996 39.000 -0.065 0.000 1.003 570 F HN 0.448 nan 8.300 nan 0.000 0.524 571 S N -0.323 115.358 115.700 -0.031 0.000 2.453 571 S HA 0.124 4.593 4.470 -0.001 0.000 0.231 571 S C 0.889 175.402 174.600 -0.145 0.000 1.005 571 S CA 0.182 58.341 58.200 -0.068 0.000 0.949 571 S CB 0.002 63.204 63.200 0.003 0.000 0.774 571 S HN 0.132 nan 8.310 nan 0.000 0.510 572 R N 0.940 121.334 120.500 -0.177 0.000 2.837 572 R HA 0.577 4.917 4.340 -0.001 0.000 0.271 572 R C -3.349 172.808 176.300 -0.238 0.000 0.993 572 R CA -2.418 53.578 56.100 -0.173 0.000 0.931 572 R CB -0.036 30.211 30.300 -0.089 0.000 1.206 572 R HN 0.087 nan 8.270 nan 0.000 0.474 573 P HA 0.007 nan 4.420 nan 0.000 0.269 573 P C 1.005 178.200 177.300 -0.174 0.000 1.209 573 P CA -0.268 62.699 63.100 -0.222 0.000 0.776 573 P CB 0.293 31.856 31.700 -0.229 0.000 0.876 574 W N 3.337 124.576 121.300 -0.101 0.000 2.364 574 W HA -0.049 4.611 4.660 -0.001 0.000 0.281 574 W C -1.734 174.783 176.519 -0.003 0.000 1.219 574 W CA 0.889 58.141 57.345 -0.155 0.000 1.220 574 W CB -2.845 26.513 29.460 -0.171 0.000 1.127 574 W HN 0.311 nan 8.180 nan 0.000 0.556 575 P HA -0.162 nan 4.420 nan 0.000 0.221 575 P C 1.330 178.631 177.300 0.001 0.000 1.145 575 P CA 2.286 65.193 63.100 -0.323 0.000 0.795 575 P CB -0.233 31.113 31.700 -0.590 0.000 0.775 576 E N -0.217 119.967 120.200 -0.027 0.000 2.047 576 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 576 E C 2.109 178.774 176.600 0.107 0.000 0.987 576 E CA 1.261 57.676 56.400 0.024 0.000 0.799 576 E CB -0.591 29.099 29.700 -0.017 0.000 0.752 576 E HN 0.180 nan 8.360 nan 0.000 0.449 577 A N 1.281 124.189 122.820 0.146 0.000 1.930 577 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 577 A C 2.139 179.979 177.584 0.427 0.000 1.175 577 A CA 1.486 53.666 52.037 0.237 0.000 0.627 577 A CB -0.414 18.691 19.000 0.175 0.000 0.815 577 A HN 0.188 nan 8.150 nan 0.000 0.443 578 M N -0.325 119.659 119.600 0.640 0.000 2.080 578 M HA -0.204 4.275 4.480 -0.001 0.000 0.260 578 M C 2.133 178.645 176.300 0.353 0.000 1.068 578 M CA 2.475 58.174 55.300 0.665 0.000 1.109 578 M CB -0.651 32.449 32.600 0.835 0.000 1.342 578 M HN 0.482 nan 8.290 nan 0.000 0.405 579 Q N -0.172 119.778 119.800 0.251 0.000 2.084 579 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 579 Q C 1.940 178.007 176.000 0.112 0.000 0.978 579 Q CA 2.121 58.015 55.803 0.152 0.000 0.844 579 Q CB -0.470 28.328 28.738 0.099 0.000 0.898 579 Q HN 0.676 nan 8.270 nan 0.000 0.426 580 L N -0.342 120.942 121.223 0.101 0.000 2.083 580 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 580 L C 2.249 179.134 176.870 0.025 0.000 1.083 580 L CA 1.111 55.985 54.840 0.055 0.000 0.752 580 L CB -0.352 41.736 42.059 0.048 0.000 0.899 580 L HN 0.338 nan 8.230 nan 0.000 0.433 581 I N -0.889 119.689 120.570 0.013 0.000 2.277 581 I HA -0.187 3.982 4.170 -0.001 0.000 0.243 581 I C 2.346 178.477 176.117 0.024 0.000 1.094 581 I CA 1.777 63.035 61.300 -0.069 0.000 1.393 581 I CB -0.296 37.504 38.000 -0.334 0.000 1.078 581 I HN 0.332 nan 8.210 nan 0.000 0.417 582 T N -2.877 111.741 114.554 0.106 0.000 3.023 582 T HA 0.334 4.683 4.350 -0.001 0.000 0.253 582 T C 1.505 176.273 174.700 0.113 0.000 1.038 582 T CA 0.387 62.572 62.100 0.141 0.000 0.962 582 T CB 0.744 69.746 68.868 0.224 0.000 1.018 582 T HN 0.479 nan 8.240 nan 0.000 0.521 583 G N 1.568 110.426 108.800 0.098 0.000 2.155 583 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.257 583 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.257 583 G C -0.194 174.761 174.900 0.092 0.000 0.983 583 G CA 0.641 45.789 45.100 0.081 0.000 0.676 583 G HN 1.111 nan 8.290 nan 0.000 0.528 584 Q N -2.471 117.404 119.800 0.124 0.000 2.687 584 Q HA 0.727 5.066 4.340 -0.001 0.000 0.295 584 Q C -2.983 173.123 176.000 0.177 0.000 0.920 584 Q CA -0.982 54.898 55.803 0.128 0.000 0.766 584 Q CB 1.307 30.118 28.738 0.121 0.000 1.467 584 Q HN 0.061 nan 8.270 nan 0.000 0.415 585 P HA 0.140 nan 4.420 nan 0.000 0.281 585 P C -0.611 176.838 177.300 0.249 0.000 1.291 585 P CA 0.254 63.447 63.100 0.156 0.000 0.906 585 P CB 1.041 32.771 31.700 0.049 0.000 1.388 586 Q N -0.074 119.899 119.800 0.288 0.000 2.257 586 Q HA 0.489 4.828 4.340 -0.001 0.000 0.262 586 Q C 0.077 176.326 176.000 0.415 0.000 0.997 586 Q CA -0.869 55.144 55.803 0.350 0.000 0.873 586 Q CB 1.750 30.626 28.738 0.229 0.000 1.312 586 Q HN 0.031 nan 8.270 nan 0.000 0.450 587 M N 1.274 121.143 119.600 0.448 0.000 2.238 587 M HA 0.183 4.662 4.480 -0.001 0.000 0.347 587 M C -0.143 176.270 176.300 0.189 0.000 1.173 587 M CA 0.477 55.931 55.300 0.257 0.000 1.147 587 M CB 0.953 33.672 32.600 0.199 0.000 1.547 587 M HN 0.455 nan 8.290 nan 0.000 0.455 588 S N 1.077 116.852 115.700 0.124 0.000 2.566 588 S HA 0.598 5.067 4.470 -0.001 0.000 0.273 588 S C 0.083 174.721 174.600 0.063 0.000 1.157 588 S CA -0.397 57.865 58.200 0.104 0.000 0.938 588 S CB 1.571 64.840 63.200 0.114 0.000 1.087 588 S HN 0.750 nan 8.310 nan 0.000 0.474 589 A N 3.018 125.869 122.820 0.051 0.000 2.206 589 A HA 0.117 4.436 4.320 -0.001 0.000 0.211 589 A C 2.101 179.702 177.584 0.028 0.000 1.158 589 A CA 1.342 53.390 52.037 0.017 0.000 0.761 589 A CB -0.835 18.167 19.000 0.004 0.000 0.801 589 A HN 1.370 nan 8.150 nan 0.000 0.473 590 S N 0.518 116.251 115.700 0.055 0.000 2.368 590 S HA -0.089 4.380 4.470 -0.001 0.000 0.225 590 S C 2.080 176.728 174.600 0.080 0.000 1.030 590 S CA 1.322 59.561 58.200 0.065 0.000 0.999 590 S CB -0.699 62.545 63.200 0.073 0.000 0.844 590 S HN 0.851 nan 8.310 nan 0.000 0.459 591 A N 1.988 124.867 122.820 0.099 0.000 1.877 591 A HA 0.018 4.338 4.320 -0.001 0.000 0.216 591 A C 2.371 180.040 177.584 0.141 0.000 1.186 591 A CA 1.779 53.905 52.037 0.148 0.000 0.620 591 A CB -0.830 18.281 19.000 0.185 0.000 0.822 591 A HN 0.634 nan 8.150 nan 0.000 0.443 592 M N -0.520 119.090 119.600 0.016 0.000 2.117 592 M HA -0.089 4.390 4.480 -0.001 0.000 0.262 592 M C 1.935 178.202 176.300 -0.055 0.000 1.065 592 M CA 1.540 56.653 55.300 -0.312 0.000 1.114 592 M CB -0.292 32.050 32.600 -0.431 0.000 1.361 592 M HN 0.428 nan 8.290 nan 0.000 0.408 593 L N -0.880 120.356 121.223 0.022 0.000 2.012 593 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 593 L C 2.719 179.661 176.870 0.120 0.000 1.073 593 L CA 1.664 56.552 54.840 0.080 0.000 0.748 593 L CB -1.006 41.084 42.059 0.051 0.000 0.891 593 L HN 0.423 nan 8.230 nan 0.000 0.431 594 S N -0.814 114.953 115.700 0.113 0.000 2.356 594 S HA -0.279 4.190 4.470 -0.001 0.000 0.223 594 S C 2.091 176.773 174.600 0.136 0.000 1.032 594 S CA 1.217 59.489 58.200 0.121 0.000 1.005 594 S CB -0.472 62.800 63.200 0.120 0.000 0.867 594 S HN 0.455 nan 8.310 nan 0.000 0.449 595 Y N 0.552 120.849 120.300 -0.005 0.000 2.114 595 Y HA -0.175 4.374 4.550 -0.001 0.000 0.282 595 Y C 1.514 177.261 175.900 -0.256 0.000 1.165 595 Y CA 2.243 60.274 58.100 -0.114 0.000 1.148 595 Y CB -0.352 37.965 38.460 -0.238 0.000 0.972 595 Y HN 0.399 nan 8.280 nan 0.000 0.504 596 F N -0.209 119.856 119.950 0.191 0.000 2.727 596 F HA 0.122 4.648 4.527 -0.001 0.000 0.302 596 F C 1.995 177.810 175.800 0.025 0.000 1.097 596 F CA 0.135 58.182 58.000 0.078 0.000 1.330 596 F CB 0.009 39.024 39.000 0.025 0.000 1.084 596 F HN -0.061 nan 8.300 nan 0.000 0.578 597 K N 2.058 122.558 120.400 0.167 0.000 2.044 597 K HA -0.175 4.144 4.320 -0.001 0.000 0.210 597 K C -1.067 175.601 176.600 0.113 0.000 1.049 597 K CA 2.012 58.373 56.287 0.125 0.000 0.927 597 K CB -1.402 31.157 32.500 0.099 0.000 0.713 597 K HN 0.056 nan 8.250 nan 0.000 0.443 598 P HA -0.109 nan 4.420 nan 0.000 0.218 598 P C 1.221 178.599 177.300 0.129 0.000 1.149 598 P CA 0.832 63.986 63.100 0.090 0.000 0.817 598 P CB 0.016 31.740 31.700 0.040 0.000 0.785 599 L N -0.902 120.395 121.223 0.124 0.000 2.109 599 L HA -0.069 4.270 4.340 -0.001 0.000 0.207 599 L C 2.133 179.118 176.870 0.193 0.000 1.086 599 L CA 1.456 56.396 54.840 0.166 0.000 0.760 599 L CB -1.397 40.766 42.059 0.174 0.000 0.910 599 L HN -0.147 nan 8.230 nan 0.000 0.437 600 L N -0.425 120.889 121.223 0.152 0.000 2.042 600 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 600 L C 2.013 178.943 176.870 0.101 0.000 1.076 600 L CA 1.956 56.859 54.840 0.106 0.000 0.749 600 L CB -0.934 41.176 42.059 0.085 0.000 0.893 600 L HN 0.303 nan 8.230 nan 0.000 0.432 601 D N -1.252 119.218 120.400 0.117 0.000 2.104 601 D HA -0.264 4.375 4.640 -0.001 0.000 0.194 601 D C 1.762 178.130 176.300 0.113 0.000 0.994 601 D CA 1.638 55.697 54.000 0.100 0.000 0.830 601 D CB -0.517 40.348 40.800 0.109 0.000 0.959 601 D HN 0.594 nan 8.370 nan 0.000 0.452 602 W N 1.347 122.651 121.300 0.007 0.000 2.358 602 W HA -0.090 4.569 4.660 -0.001 0.000 0.303 602 W C 2.119 178.607 176.519 -0.052 0.000 1.208 602 W CA 1.059 58.401 57.345 -0.006 0.000 1.274 602 W CB -0.379 29.086 29.460 0.007 0.000 1.138 602 W HN -0.088 nan 8.180 nan 0.000 0.515 603 L N 0.224 121.524 121.223 0.129 0.000 2.046 603 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 603 L C 2.733 179.526 176.870 -0.128 0.000 1.077 603 L CA 1.556 56.370 54.840 -0.044 0.000 0.747 603 L CB -0.802 41.296 42.059 0.066 0.000 0.896 603 L HN -0.078 nan 8.230 nan 0.000 0.432 604 R N -0.838 119.621 120.500 -0.069 0.000 2.081 604 R HA -0.142 4.197 4.340 -0.001 0.000 0.235 604 R C 2.282 178.503 176.300 -0.132 0.000 1.131 604 R CA 1.952 58.010 56.100 -0.070 0.000 0.960 604 R CB -0.599 29.682 30.300 -0.032 0.000 0.856 604 R HN 0.333 nan 8.270 nan 0.000 0.436 605 T N 0.523 114.962 114.554 -0.193 0.000 2.708 605 T HA -0.172 4.177 4.350 -0.001 0.000 0.266 605 T C 1.652 176.153 174.700 -0.331 0.000 1.037 605 T CA 1.641 63.598 62.100 -0.239 0.000 1.146 605 T CB -0.170 68.551 68.868 -0.244 0.000 0.865 605 T HN 0.283 nan 8.240 nan 0.000 0.435 606 E N 1.709 121.587 120.200 -0.537 0.000 2.031 606 E HA -0.138 4.211 4.350 -0.001 0.000 0.193 606 E C 2.094 178.601 176.600 -0.156 0.000 0.994 606 E CA 1.363 57.455 56.400 -0.513 0.000 0.800 606 E CB -0.345 28.743 29.700 -1.020 0.000 0.752 606 E HN 0.269 nan 8.360 nan 0.000 0.447 607 N N 0.623 119.264 118.700 -0.097 0.000 2.120 607 N HA -0.183 4.556 4.740 -0.001 0.000 0.188 607 N C 1.686 177.184 175.510 -0.020 0.000 1.024 607 N CA 1.369 54.431 53.050 0.019 0.000 0.852 607 N CB -0.388 38.117 38.487 0.029 0.000 1.003 607 N HN 0.443 nan 8.380 nan 0.000 0.424 608 E N 0.885 121.038 120.200 -0.079 0.000 2.077 608 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 608 E C 1.898 178.429 176.600 -0.115 0.000 0.989 608 E CA 0.935 57.286 56.400 -0.082 0.000 0.800 608 E CB -0.012 29.636 29.700 -0.087 0.000 0.746 608 E HN 0.328 nan 8.360 nan 0.000 0.452 609 L N -0.980 120.125 121.223 -0.197 0.000 2.275 609 L HA -0.035 4.305 4.340 -0.001 0.000 0.215 609 L C 1.775 178.437 176.870 -0.348 0.000 1.119 609 L CA 1.588 56.257 54.840 -0.285 0.000 0.790 609 L CB -0.458 41.383 42.059 -0.362 0.000 0.919 609 L HN 0.081 nan 8.230 nan 0.000 0.443 610 H N 0.679 119.703 119.070 -0.077 0.000 2.551 610 H HA 0.359 4.915 4.556 -0.001 0.000 0.271 610 H C 1.451 176.738 175.328 -0.068 0.000 0.984 610 H CA 0.303 56.309 56.048 -0.070 0.000 1.164 610 H CB 0.224 29.943 29.762 -0.071 0.000 1.437 610 H HN 0.513 nan 8.280 nan 0.000 0.550 611 G N 2.132 110.938 108.800 0.010 0.000 2.273 611 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.280 611 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.280 611 G C -0.145 174.753 174.900 -0.004 0.000 1.047 611 G CA -0.046 45.048 45.100 -0.009 0.000 0.869 611 G HN 0.285 nan 8.290 nan 0.000 0.502 612 E N -0.284 119.924 120.200 0.013 0.000 2.384 612 E HA 0.252 4.602 4.350 -0.001 0.000 0.266 612 E C 0.596 177.198 176.600 0.003 0.000 1.012 612 E CA -0.215 56.191 56.400 0.009 0.000 0.901 612 E CB 0.999 30.720 29.700 0.034 0.000 0.967 612 E HN 0.374 nan 8.360 nan 0.000 0.435 613 K N 3.380 123.780 120.400 0.001 0.000 2.285 613 K HA 0.174 4.493 4.320 -0.001 0.000 0.286 613 K C -0.476 176.138 176.600 0.022 0.000 1.072 613 K CA -0.187 56.100 56.287 0.001 0.000 0.913 613 K CB 0.044 32.542 32.500 -0.004 0.000 1.067 613 K HN 0.383 nan 8.250 nan 0.000 0.479 614 L N 4.440 125.663 121.223 0.001 0.000 2.416 614 L HA 0.382 4.722 4.340 -0.001 0.000 0.272 614 L C 1.034 177.854 176.870 -0.083 0.000 1.161 614 L CA 0.765 55.603 54.840 -0.004 0.000 0.845 614 L CB 0.314 42.357 42.059 -0.028 0.000 1.119 614 L HN 1.020 nan 8.230 nan 0.000 0.464 615 G N 2.829 111.562 108.800 -0.112 0.000 2.587 615 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.212 615 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.212 615 G C -1.212 173.674 174.900 -0.023 0.000 1.327 615 G CA -0.039 44.773 45.100 -0.481 0.000 0.898 615 G HN 0.936 nan 8.290 nan 0.000 0.551 616 W N -1.972 119.366 121.300 0.064 0.000 1.713 616 W HA 0.612 5.271 4.660 -0.002 0.000 0.303 616 W C -1.551 175.068 176.519 0.166 0.000 0.915 616 W CA -1.281 56.136 57.345 0.121 0.000 1.751 616 W CB 0.561 30.122 29.460 0.168 0.000 1.955 616 W HN 0.516 nan 8.180 nan 0.000 0.405 617 P HA -0.209 nan 4.420 nan 0.000 0.218 617 P C 0.480 177.874 177.300 0.156 0.000 1.148 617 P CA 1.599 64.781 63.100 0.138 0.000 0.822 617 P CB 0.413 32.142 31.700 0.050 0.000 0.784 618 Q N -0.049 119.828 119.800 0.128 0.000 3.179 618 Q HA 0.013 4.352 4.340 -0.001 0.000 0.328 618 Q C 0.845 176.945 176.000 0.165 0.000 1.336 618 Q CA -0.316 55.525 55.803 0.062 0.000 0.939 618 Q CB -0.654 28.117 28.738 0.054 0.000 1.658 618 Q HN 0.500 nan 8.270 nan 0.000 0.486 619 Y N -1.929 118.531 120.300 0.267 0.000 2.509 619 Y HA -0.028 4.522 4.550 -0.001 0.000 0.293 619 Y C 0.867 176.925 175.900 0.263 0.000 1.133 619 Y CA 0.732 59.036 58.100 0.339 0.000 1.283 619 Y CB -0.150 38.519 38.460 0.348 0.000 1.001 619 Y HN 0.230 nan 8.280 nan 0.000 0.555 620 N N -0.716 117.978 118.700 -0.010 0.000 2.463 620 N HA -0.069 4.670 4.740 -0.001 0.000 0.181 620 N C -0.138 175.447 175.510 0.124 0.000 1.078 620 N CA -0.031 53.062 53.050 0.071 0.000 0.902 620 N CB -0.108 38.334 38.487 -0.075 0.000 0.970 620 N HN 0.427 nan 8.380 nan 0.000 0.451 621 W N 3.032 124.340 121.300 0.014 0.000 2.295 621 W HA -0.008 4.651 4.660 -0.002 0.000 0.335 621 W C 0.339 176.870 176.519 0.019 0.000 1.351 621 W CA 0.225 57.580 57.345 0.017 0.000 1.273 621 W CB 0.387 29.867 29.460 0.034 0.000 1.214 621 W HN -0.120 nan 8.180 nan 0.000 0.563 622 T N 4.960 118.981 114.554 -0.888 0.000 2.896 622 T HA 0.654 5.003 4.350 -0.001 0.000 0.297 622 T C -2.529 171.193 174.700 -1.630 0.000 1.108 622 T CA -1.850 59.611 62.100 -1.064 0.000 1.004 622 T CB 1.880 70.442 68.868 -0.510 0.000 1.159 622 T HN 0.328 nan 8.240 nan 0.000 0.499 623 P HA 0.000 nan 4.420 nan 0.000 0.216 623 P CA 0.000 62.692 63.100 -0.680 0.000 0.800 623 P CB 0.000 31.593 31.700 -0.178 0.000 0.726