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 1uzf_1_A DATA FIRST_RESID 40 DATA SEQUENCE DEAEASKFVE EYDRTSQVVW NEYAEANWNY NTNITTETSK ILLQKNMQIA DATA SEQUENCE NHTLKYGTQA RKFDVNQLQN TTIKRIIKKV QDLERAALPA QELEEYNKIL DATA SEQUENCE LDMETTYSVA TVcHPNGScL QLEPDLTNVM ATSRKYEDLL WAWEGWRDKA DATA SEQUENCE GRAILQFYPK YVELINQAAR LNGYVDAGDS WRSMYETPSL EQDLERLFQE DATA SEQUENCE LQPLYLNLHA YVRRALHRHY GAQHINLEGP IPAHLLGNMW AQTWSNIYDL DATA SEQUENCE VVPFPSAPSM DTTEAMLKQG WTPRRMFKEA DDFFTSLGLL PVPPEFWNKS DATA SEQUENCE MLEKPTDGRE VVcHASAWDF YNGKDFRIKQ cTTVNLEDLV VAHHEMGHIQ DATA SEQUENCE YFMQYKDLPV ALREGANPGF HEAIGDVLAL SVSTPKHLHS LNLLSXXXXS DATA SEQUENCE DEHDINFLMK MALDKIAFIP FSYLVDQWRW RVFDGSITKE NYNQEWWSLR DATA SEQUENCE LKYQGLCPPV PRTQGDFDPG AKFHIPSSVP YIRYFVSFII QFQFHEALcQ DATA SEQUENCE AAGHTGPLHK cDIYQSKEAG QRLATAMKLG FSRPWPEAMQ LITGQPNMSA DATA SEQUENCE SAMLSYFKPL LDWLRTENEL HGEKLGWPQ 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 0.000 176.384 176.300 0.140 0.000 2.045 40 D CA 0.000 54.036 54.000 0.059 0.000 0.868 40 D CB 0.000 40.802 40.800 0.003 0.000 0.688 41 E N 1.644 121.902 120.200 0.097 0.000 2.072 41 E HA 0.113 4.463 4.350 -0.001 0.000 0.190 41 E C 2.178 178.836 176.600 0.098 0.000 0.982 41 E CA 1.981 58.436 56.400 0.092 0.000 0.803 41 E CB -0.191 29.542 29.700 0.055 0.000 0.755 41 E HN 0.333 nan 8.360 nan 0.000 0.453 42 A N 0.596 123.468 122.820 0.086 0.000 1.972 42 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 42 A C 2.082 179.739 177.584 0.121 0.000 1.169 42 A CA 1.604 53.691 52.037 0.082 0.000 0.635 42 A CB -0.537 18.500 19.000 0.062 0.000 0.810 42 A HN 0.323 nan 8.150 nan 0.000 0.446 43 E N -0.405 119.894 120.200 0.166 0.000 2.150 43 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 43 E C 2.289 179.096 176.600 0.344 0.000 0.985 43 E CA 0.739 57.289 56.400 0.251 0.000 0.814 43 E CB -0.206 29.640 29.700 0.244 0.000 0.752 43 E HN 0.631 nan 8.360 nan 0.000 0.466 44 A N 0.728 123.716 122.820 0.281 0.000 1.858 44 A HA -0.204 4.115 4.320 -0.001 0.000 0.216 44 A C 2.353 179.961 177.584 0.039 0.000 1.190 44 A CA 1.827 53.866 52.037 0.004 0.000 0.617 44 A CB -0.632 18.347 19.000 -0.035 0.000 0.827 44 A HN 0.154 nan 8.150 nan 0.000 0.443 45 S N -0.464 115.273 115.700 0.063 0.000 2.359 45 S HA -0.214 4.255 4.470 -0.001 0.000 0.224 45 S C 2.037 176.680 174.600 0.071 0.000 1.035 45 S CA 1.770 59.999 58.200 0.049 0.000 1.018 45 S CB -0.316 62.911 63.200 0.045 0.000 0.876 45 S HN 0.661 nan 8.310 nan 0.000 0.448 46 K N 0.258 120.726 120.400 0.113 0.000 2.009 46 K HA -0.177 4.142 4.320 -0.001 0.000 0.210 46 K C 1.976 178.672 176.600 0.158 0.000 1.049 46 K CA 1.603 57.965 56.287 0.126 0.000 0.929 46 K CB -0.364 32.226 32.500 0.151 0.000 0.714 46 K HN 0.320 nan 8.250 nan 0.000 0.440 47 F N 1.458 121.454 119.950 0.076 0.000 2.091 47 F HA -0.238 4.288 4.527 -0.001 0.000 0.299 47 F C 1.854 177.700 175.800 0.077 0.000 1.103 47 F CA 1.520 59.578 58.000 0.097 0.000 1.228 47 F CB -0.516 38.491 39.000 0.010 0.000 0.984 47 F HN -0.164 nan 8.300 nan 0.000 0.477 48 V N 0.709 120.564 119.914 -0.098 0.000 2.343 48 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 48 V C 2.267 178.288 176.094 -0.122 0.000 1.051 48 V CA 2.330 64.528 62.300 -0.170 0.000 1.036 48 V CB -0.745 31.045 31.823 -0.055 0.000 0.654 48 V HN 0.386 nan 8.190 nan 0.000 0.451 49 E N -0.169 119.993 120.200 -0.064 0.000 2.077 49 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 49 E C 2.220 178.764 176.600 -0.093 0.000 0.989 49 E CA 1.469 57.836 56.400 -0.056 0.000 0.800 49 E CB -0.142 29.550 29.700 -0.014 0.000 0.746 49 E HN 0.686 nan 8.360 nan 0.000 0.452 50 E N 0.087 120.241 120.200 -0.078 0.000 2.072 50 E HA -0.186 4.164 4.350 -0.001 0.000 0.190 50 E C 1.885 178.338 176.600 -0.244 0.000 0.982 50 E CA 0.751 57.112 56.400 -0.065 0.000 0.803 50 E CB -0.161 29.596 29.700 0.096 0.000 0.755 50 E HN 0.263 nan 8.360 nan 0.000 0.453 51 Y N 2.134 122.103 120.300 -0.551 0.000 2.128 51 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 51 Y C 1.952 177.483 175.900 -0.615 0.000 1.154 51 Y CA 2.139 59.726 58.100 -0.855 0.000 1.149 51 Y CB -0.272 37.663 38.460 -0.874 0.000 0.976 51 Y HN -0.001 nan 8.280 nan 0.000 0.505 52 D N -0.642 119.503 120.400 -0.426 0.000 2.084 52 D HA -0.178 4.462 4.640 -0.001 0.000 0.194 52 D C 2.211 178.243 176.300 -0.446 0.000 0.990 52 D CA 1.802 55.541 54.000 -0.435 0.000 0.826 52 D CB -0.099 40.583 40.800 -0.196 0.000 0.971 52 D HN 0.337 nan 8.370 nan 0.000 0.453 53 R N -0.557 119.755 120.500 -0.314 0.000 2.080 53 R HA -0.114 4.226 4.340 -0.001 0.000 0.236 53 R C 2.569 178.674 176.300 -0.324 0.000 1.137 53 R CA 2.065 58.016 56.100 -0.249 0.000 0.943 53 R CB -0.956 29.252 30.300 -0.153 0.000 0.846 53 R HN 0.394 nan 8.270 nan 0.000 0.431 54 T N -1.613 112.710 114.554 -0.385 0.000 2.777 54 T HA -0.049 4.300 4.350 -0.001 0.000 0.266 54 T C 2.122 176.386 174.700 -0.727 0.000 1.040 54 T CA 1.518 63.370 62.100 -0.413 0.000 1.141 54 T CB -0.282 68.425 68.868 -0.267 0.000 0.868 54 T HN 0.040 nan 8.240 nan 0.000 0.444 55 S N 1.677 116.768 115.700 -1.014 0.000 2.382 55 S HA -0.126 4.344 4.470 -0.001 0.000 0.228 55 S C 2.281 176.158 174.600 -1.205 0.000 1.027 55 S CA 1.143 58.431 58.200 -1.520 0.000 0.991 55 S CB -0.426 61.541 63.200 -2.053 0.000 0.823 55 S HN 0.620 nan 8.310 nan 0.000 0.469 56 Q N 0.306 119.668 119.800 -0.730 0.000 2.084 56 Q HA -0.099 4.240 4.340 -0.001 0.000 0.202 56 Q C 2.296 178.160 176.000 -0.227 0.000 0.978 56 Q CA 1.486 57.070 55.803 -0.366 0.000 0.844 56 Q CB -0.368 28.240 28.738 -0.217 0.000 0.898 56 Q HN 0.391 nan 8.270 nan 0.000 0.426 57 V N 0.267 120.022 119.914 -0.265 0.000 2.237 57 V HA -0.227 3.892 4.120 -0.001 0.000 0.245 57 V C 2.185 178.204 176.094 -0.126 0.000 1.046 57 V CA 1.725 63.931 62.300 -0.157 0.000 1.007 57 V CB -0.707 31.022 31.823 -0.156 0.000 0.638 57 V HN 0.300 nan 8.190 nan 0.000 0.445 58 V N -0.768 118.994 119.914 -0.253 0.000 2.343 58 V HA -0.240 3.880 4.120 -0.001 0.000 0.247 58 V C 2.201 178.356 176.094 0.102 0.000 1.051 58 V CA 2.194 64.411 62.300 -0.138 0.000 1.036 58 V CB -0.501 31.110 31.823 -0.354 0.000 0.654 58 V HN 0.680 nan 8.190 nan 0.000 0.451 59 W N 0.779 121.921 121.300 -0.264 0.000 2.402 59 W HA -0.062 4.598 4.660 -0.001 0.000 0.286 59 W C 2.609 179.141 176.519 0.022 0.000 1.221 59 W CA 1.181 58.384 57.345 -0.237 0.000 1.257 59 W CB -1.404 27.636 29.460 -0.700 0.000 1.120 59 W HN 0.443 nan 8.180 nan 0.000 0.551 60 N N 1.067 119.930 118.700 0.272 0.000 2.142 60 N HA -0.173 4.566 4.740 -0.001 0.000 0.186 60 N C 1.397 177.046 175.510 0.231 0.000 1.023 60 N CA 1.557 54.779 53.050 0.286 0.000 0.852 60 N CB -0.177 38.423 38.487 0.189 0.000 0.998 60 N HN 0.262 nan 8.380 nan 0.000 0.424 61 E N -0.694 119.609 120.200 0.172 0.000 2.077 61 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 61 E C 1.728 178.431 176.600 0.173 0.000 0.989 61 E CA 0.962 57.450 56.400 0.147 0.000 0.800 61 E CB -0.237 29.528 29.700 0.107 0.000 0.746 61 E HN 0.429 nan 8.360 nan 0.000 0.452 62 Y N 1.140 121.499 120.300 0.099 0.000 2.181 62 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 62 Y C 2.153 178.122 175.900 0.115 0.000 1.146 62 Y CA 1.347 59.496 58.100 0.082 0.000 1.164 62 Y CB -0.411 38.065 38.460 0.026 0.000 0.982 62 Y HN -0.009 nan 8.280 nan 0.000 0.515 63 A N 0.516 123.378 122.820 0.071 0.000 1.940 63 A HA -0.215 4.104 4.320 -0.001 0.000 0.219 63 A C 2.184 179.789 177.584 0.034 0.000 1.176 63 A CA 2.540 54.549 52.037 -0.047 0.000 0.631 63 A CB -1.506 17.330 19.000 -0.273 0.000 0.814 63 A HN 0.609 nan 8.150 nan 0.000 0.446 64 E N -0.292 120.000 120.200 0.154 0.000 2.023 64 E HA -0.071 4.279 4.350 -0.001 0.000 0.196 64 E C 2.385 179.080 176.600 0.157 0.000 1.003 64 E CA 2.374 58.910 56.400 0.227 0.000 0.809 64 E CB -1.310 28.488 29.700 0.164 0.000 0.755 64 E HN 1.101 nan 8.360 nan 0.000 0.449 65 A N 1.040 123.885 122.820 0.041 0.000 1.902 65 A HA -0.206 4.113 4.320 -0.001 0.000 0.217 65 A C 2.262 179.848 177.584 0.004 0.000 1.181 65 A CA 2.160 54.204 52.037 0.012 0.000 0.623 65 A CB -0.599 18.381 19.000 -0.033 0.000 0.818 65 A HN 0.502 nan 8.150 nan 0.000 0.443 66 N N -0.843 117.775 118.700 -0.136 0.000 2.120 66 N HA -0.192 4.548 4.740 -0.001 0.000 0.188 66 N C 1.604 177.276 175.510 0.271 0.000 1.024 66 N CA 1.749 54.807 53.050 0.013 0.000 0.852 66 N CB -0.427 37.974 38.487 -0.143 0.000 1.003 66 N HN 0.729 nan 8.380 nan 0.000 0.424 67 W N 1.316 122.583 121.300 -0.055 0.000 2.381 67 W HA -0.092 4.567 4.660 -0.001 0.000 0.301 67 W C 1.121 177.524 176.519 -0.193 0.000 1.205 67 W CA 1.055 58.156 57.345 -0.408 0.000 1.285 67 W CB -0.572 28.670 29.460 -0.363 0.000 1.133 67 W HN 0.086 nan 8.180 nan 0.000 0.521 68 N N 0.263 119.029 118.700 0.110 0.000 2.149 68 N HA -0.244 4.495 4.740 -0.001 0.000 0.188 68 N C 1.498 176.976 175.510 -0.054 0.000 1.019 68 N CA 1.914 54.979 53.050 0.025 0.000 0.857 68 N CB -1.317 37.235 38.487 0.108 0.000 0.997 68 N HN 0.388 nan 8.380 nan 0.000 0.426 69 Y N 1.676 121.928 120.300 -0.080 0.000 2.184 69 Y HA 0.033 4.582 4.550 -0.001 0.000 0.290 69 Y C 1.936 177.777 175.900 -0.097 0.000 1.129 69 Y CA 1.343 59.406 58.100 -0.062 0.000 1.144 69 Y CB -0.529 37.919 38.460 -0.021 0.000 0.995 69 Y HN 0.012 nan 8.280 nan 0.000 0.513 70 N N -0.360 118.153 118.700 -0.312 0.000 2.223 70 N HA -0.143 4.596 4.740 -0.001 0.000 0.185 70 N C 1.409 176.615 175.510 -0.507 0.000 1.016 70 N CA 2.040 54.858 53.050 -0.387 0.000 0.863 70 N CB -0.267 38.178 38.487 -0.070 0.000 0.983 70 N HN 0.585 nan 8.380 nan 0.000 0.429 71 T N -2.948 111.227 114.554 -0.632 0.000 3.122 71 T HA 0.149 4.499 4.350 -0.001 0.000 0.250 71 T C 0.209 174.700 174.700 -0.349 0.000 1.067 71 T CA -0.283 61.468 62.100 -0.583 0.000 0.966 71 T CB 0.057 68.409 68.868 -0.860 0.000 1.002 71 T HN -0.039 nan 8.240 nan 0.000 0.542 72 N N 0.750 119.263 118.700 -0.311 0.000 3.304 72 N HA 0.173 4.912 4.740 -0.001 0.000 0.187 72 N C -1.386 174.007 175.510 -0.194 0.000 1.482 72 N CA -0.412 52.521 53.050 -0.195 0.000 0.785 72 N CB -0.137 38.277 38.487 -0.122 0.000 1.619 72 N HN 0.345 nan 8.380 nan 0.000 0.624 73 I N 2.152 122.569 120.570 -0.255 0.000 2.578 73 I HA 0.153 4.323 4.170 -0.001 0.000 0.286 73 I C 0.786 176.876 176.117 -0.045 0.000 1.126 73 I CA 0.472 61.633 61.300 -0.233 0.000 1.380 73 I CB 0.128 37.975 38.000 -0.256 0.000 1.408 73 I HN 0.531 nan 8.210 nan 0.000 0.532 74 T N -0.067 114.513 114.554 0.043 0.000 2.754 74 T HA 0.248 4.598 4.350 -0.001 0.000 0.296 74 T C 0.651 175.405 174.700 0.089 0.000 1.205 74 T CA -0.638 61.494 62.100 0.053 0.000 1.009 74 T CB 1.566 70.453 68.868 0.031 0.000 1.368 74 T HN 0.348 nan 8.240 nan 0.000 0.509 75 T N 0.182 114.774 114.554 0.063 0.000 2.777 75 T HA -0.014 4.335 4.350 -0.001 0.000 0.266 75 T C 1.620 176.355 174.700 0.058 0.000 1.040 75 T CA 1.682 63.818 62.100 0.060 0.000 1.141 75 T CB -0.368 68.526 68.868 0.044 0.000 0.868 75 T HN 0.734 nan 8.240 nan 0.000 0.444 76 E N 0.692 120.923 120.200 0.052 0.000 2.015 76 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 76 E C 2.499 179.137 176.600 0.062 0.000 0.991 76 E CA 1.722 58.151 56.400 0.048 0.000 0.802 76 E CB -0.093 29.630 29.700 0.039 0.000 0.759 76 E HN 0.624 nan 8.360 nan 0.000 0.447 77 T N -1.369 113.234 114.554 0.082 0.000 2.759 77 T HA -0.122 4.227 4.350 -0.001 0.000 0.269 77 T C 2.149 176.932 174.700 0.139 0.000 1.042 77 T CA 1.606 63.776 62.100 0.116 0.000 1.140 77 T CB -0.341 68.608 68.868 0.135 0.000 0.864 77 T HN -0.038 nan 8.240 nan 0.000 0.455 78 S N 1.451 117.240 115.700 0.149 0.000 2.355 78 S HA -0.037 4.432 4.470 -0.001 0.000 0.222 78 S C 1.996 176.589 174.600 -0.012 0.000 1.031 78 S CA 1.358 59.582 58.200 0.040 0.000 0.993 78 S CB -0.398 62.839 63.200 0.061 0.000 0.859 78 S HN 0.697 nan 8.310 nan 0.000 0.453 79 K N 1.171 121.584 120.400 0.022 0.000 2.032 79 K HA -0.109 4.210 4.320 -0.001 0.000 0.209 79 K C 2.010 178.623 176.600 0.021 0.000 1.048 79 K CA 1.522 57.820 56.287 0.018 0.000 0.927 79 K CB -0.356 32.161 32.500 0.028 0.000 0.712 79 K HN 0.307 nan 8.250 nan 0.000 0.441 80 I N 1.131 121.720 120.570 0.032 0.000 2.226 80 I HA -0.278 3.891 4.170 -0.001 0.000 0.245 80 I C 2.417 178.554 176.117 0.033 0.000 1.100 80 I CA 0.586 61.909 61.300 0.038 0.000 1.374 80 I CB -0.304 37.724 38.000 0.046 0.000 1.057 80 I HN 0.259 nan 8.210 nan 0.000 0.413 81 L N 1.011 122.239 121.223 0.009 0.000 2.012 81 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 81 L C 2.311 179.194 176.870 0.021 0.000 1.073 81 L CA 1.905 56.734 54.840 -0.019 0.000 0.748 81 L CB -0.625 41.360 42.059 -0.122 0.000 0.891 81 L HN 0.137 nan 8.230 nan 0.000 0.431 82 L N -0.972 120.244 121.223 -0.012 0.000 2.079 82 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 82 L C 2.660 179.556 176.870 0.044 0.000 1.081 82 L CA 1.450 56.294 54.840 0.006 0.000 0.752 82 L CB -0.633 41.416 42.059 -0.017 0.000 0.896 82 L HN 0.438 nan 8.230 nan 0.000 0.433 83 Q N -0.297 119.531 119.800 0.048 0.000 2.079 83 Q HA -0.169 4.170 4.340 -0.001 0.000 0.200 83 Q C 2.185 178.236 176.000 0.086 0.000 0.974 83 Q CA 1.019 56.857 55.803 0.058 0.000 0.840 83 Q CB -0.050 28.719 28.738 0.051 0.000 0.898 83 Q HN 0.312 nan 8.270 nan 0.000 0.430 84 K N 0.734 121.202 120.400 0.113 0.000 2.209 84 K HA -0.061 4.259 4.320 -0.001 0.000 0.204 84 K C 1.585 178.314 176.600 0.216 0.000 1.048 84 K CA 0.603 56.996 56.287 0.177 0.000 0.940 84 K CB -0.215 32.413 32.500 0.213 0.000 0.729 84 K HN 0.248 nan 8.250 nan 0.000 0.451 85 N N 0.767 119.581 118.700 0.191 0.000 2.084 85 N HA -0.112 4.627 4.740 -0.001 0.000 0.190 85 N C 1.693 177.238 175.510 0.059 0.000 1.030 85 N CA 1.182 54.298 53.050 0.111 0.000 0.849 85 N CB -0.094 38.444 38.487 0.085 0.000 1.012 85 N HN 0.118 nan 8.380 nan 0.000 0.423 86 M N 1.402 121.044 119.600 0.070 0.000 2.213 86 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 86 M C 1.960 178.305 176.300 0.076 0.000 1.062 86 M CA 1.184 56.523 55.300 0.064 0.000 1.105 86 M CB -1.175 31.460 32.600 0.059 0.000 1.385 86 M HN 0.200 nan 8.290 nan 0.000 0.417 87 Q N -0.154 119.699 119.800 0.089 0.000 2.046 87 Q HA -0.110 4.229 4.340 -0.001 0.000 0.200 87 Q C 2.240 178.311 176.000 0.119 0.000 0.975 87 Q CA 1.347 57.210 55.803 0.100 0.000 0.836 87 Q CB -0.225 28.574 28.738 0.102 0.000 0.896 87 Q HN 0.505 nan 8.270 nan 0.000 0.428 88 I N 0.431 121.061 120.570 0.100 0.000 2.394 88 I HA -0.228 3.941 4.170 -0.001 0.000 0.251 88 I C 2.097 178.298 176.117 0.139 0.000 1.136 88 I CA 0.910 62.272 61.300 0.104 0.000 1.425 88 I CB -0.085 37.879 38.000 -0.060 0.000 1.079 88 I HN 0.126 nan 8.210 nan 0.000 0.425 89 A N 0.696 123.564 122.820 0.079 0.000 1.933 89 A HA -0.254 4.065 4.320 -0.001 0.000 0.218 89 A C 2.159 179.815 177.584 0.120 0.000 1.175 89 A CA 1.824 53.911 52.037 0.084 0.000 0.628 89 A CB -0.932 18.102 19.000 0.056 0.000 0.814 89 A HN 0.567 nan 8.150 nan 0.000 0.444 90 N N -0.689 118.086 118.700 0.126 0.000 2.069 90 N HA -0.239 4.500 4.740 -0.001 0.000 0.191 90 N C 1.747 177.364 175.510 0.179 0.000 1.031 90 N CA 1.994 55.121 53.050 0.127 0.000 0.852 90 N CB -0.410 38.147 38.487 0.116 0.000 1.018 90 N HN 0.757 nan 8.380 nan 0.000 0.423 91 H N 0.176 119.330 119.070 0.141 0.000 2.290 91 H HA -0.031 4.524 4.556 -0.001 0.000 0.298 91 H C 1.806 177.311 175.328 0.296 0.000 1.087 91 H CA 2.597 58.772 56.048 0.212 0.000 1.291 91 H CB -0.517 29.328 29.762 0.138 0.000 1.369 91 H HN 0.087 nan 8.280 nan 0.000 0.492 92 T N 1.103 115.790 114.554 0.222 0.000 2.665 92 T HA -0.180 4.169 4.350 -0.001 0.000 0.268 92 T C 2.027 176.813 174.700 0.143 0.000 1.035 92 T CA 1.420 63.637 62.100 0.196 0.000 1.151 92 T CB -0.521 68.470 68.868 0.206 0.000 0.862 92 T HN 0.194 nan 8.240 nan 0.000 0.438 93 L N 1.416 122.705 121.223 0.110 0.000 2.017 93 L HA -0.011 4.328 4.340 -0.001 0.000 0.208 93 L C 2.405 179.309 176.870 0.056 0.000 1.073 93 L CA 1.888 56.773 54.840 0.074 0.000 0.745 93 L CB -0.634 41.459 42.059 0.056 0.000 0.894 93 L HN 0.141 nan 8.230 nan 0.000 0.432 94 K N -1.638 118.787 120.400 0.042 0.000 2.020 94 K HA -0.262 4.057 4.320 -0.001 0.000 0.212 94 K C 2.160 178.699 176.600 -0.101 0.000 1.050 94 K CA 2.318 58.576 56.287 -0.049 0.000 0.929 94 K CB -0.443 32.010 32.500 -0.079 0.000 0.714 94 K HN 0.361 nan 8.250 nan 0.000 0.443 95 Y N -0.178 120.137 120.300 0.026 0.000 2.337 95 Y HA 0.050 4.599 4.550 -0.001 0.000 0.293 95 Y C 2.432 178.467 175.900 0.226 0.000 1.123 95 Y CA 1.158 59.374 58.100 0.194 0.000 1.201 95 Y CB -0.450 38.094 38.460 0.140 0.000 1.011 95 Y HN 0.259 nan 8.280 nan 0.000 0.545 96 G N -0.960 107.984 108.800 0.240 0.000 2.432 96 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.219 96 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.219 96 G C 1.690 176.638 174.900 0.080 0.000 1.135 96 G CA 1.608 46.797 45.100 0.149 0.000 0.767 96 G HN 0.307 nan 8.290 nan 0.000 0.550 97 T N 0.750 115.335 114.554 0.051 0.000 2.737 97 T HA -0.105 4.244 4.350 -0.001 0.000 0.265 97 T C 2.437 177.118 174.700 -0.031 0.000 1.038 97 T CA 1.444 63.544 62.100 -0.000 0.000 1.144 97 T CB -0.207 68.651 68.868 -0.017 0.000 0.866 97 T HN 0.343 nan 8.240 nan 0.000 0.434 98 Q N 0.656 120.438 119.800 -0.030 0.000 2.050 98 Q HA -0.048 4.291 4.340 -0.001 0.000 0.202 98 Q C 2.776 178.664 176.000 -0.186 0.000 0.980 98 Q CA 1.427 57.161 55.803 -0.114 0.000 0.840 98 Q CB -0.374 28.329 28.738 -0.059 0.000 0.898 98 Q HN 0.550 nan 8.270 nan 0.000 0.424 99 A N 1.320 124.021 122.820 -0.198 0.000 1.948 99 A HA -0.228 4.091 4.320 -0.001 0.000 0.220 99 A C 1.944 179.538 177.584 0.016 0.000 1.177 99 A CA 1.469 53.394 52.037 -0.187 0.000 0.636 99 A CB -0.457 18.550 19.000 0.012 0.000 0.815 99 A HN 0.238 nan 8.150 nan 0.000 0.449 100 R N -0.533 119.963 120.500 -0.007 0.000 2.237 100 R HA -0.036 4.303 4.340 -0.001 0.000 0.219 100 R C 1.583 177.861 176.300 -0.035 0.000 1.080 100 R CA 1.217 57.309 56.100 -0.013 0.000 0.995 100 R CB -0.149 30.136 30.300 -0.025 0.000 0.875 100 R HN 0.503 nan 8.270 nan 0.000 0.462 101 K N -0.293 120.056 120.400 -0.083 0.000 2.486 101 K HA 0.016 4.335 4.320 -0.001 0.000 0.194 101 K C -0.253 176.190 176.600 -0.262 0.000 1.033 101 K CA 0.383 56.555 56.287 -0.192 0.000 1.004 101 K CB 0.209 32.539 32.500 -0.284 0.000 0.798 101 K HN -0.031 nan 8.250 nan 0.000 0.495 102 F N 1.621 121.465 119.950 -0.178 0.000 2.411 102 F HA 0.056 4.582 4.527 -0.001 0.000 0.350 102 F C 0.689 176.428 175.800 -0.101 0.000 1.114 102 F CA -1.066 56.845 58.000 -0.148 0.000 1.135 102 F CB 0.680 39.572 39.000 -0.180 0.000 1.120 102 F HN -0.116 nan 8.300 nan 0.000 0.495 103 D N 4.163 124.606 120.400 0.071 0.000 2.435 103 D HA 0.068 4.708 4.640 -0.001 0.000 0.230 103 D C 1.160 177.496 176.300 0.061 0.000 1.215 103 D CA 0.168 54.189 54.000 0.035 0.000 0.947 103 D CB 0.911 41.711 40.800 -0.000 0.000 1.048 103 D HN 0.345 nan 8.370 nan 0.000 0.512 104 V N 4.280 124.226 119.914 0.052 0.000 2.453 104 V HA -0.302 3.817 4.120 -0.001 0.000 0.252 104 V C 2.204 178.309 176.094 0.018 0.000 1.068 104 V CA 1.347 63.665 62.300 0.031 0.000 1.070 104 V CB -0.466 31.362 31.823 0.008 0.000 0.664 104 V HN 0.589 nan 8.190 nan 0.000 0.461 105 N N 0.254 118.960 118.700 0.011 0.000 2.149 105 N HA -0.193 4.547 4.740 -0.001 0.000 0.188 105 N C 1.796 177.310 175.510 0.008 0.000 1.019 105 N CA 1.326 54.378 53.050 0.003 0.000 0.857 105 N CB -0.278 38.208 38.487 -0.003 0.000 0.997 105 N HN 0.540 nan 8.380 nan 0.000 0.426 106 Q N 0.210 120.019 119.800 0.016 0.000 2.435 106 Q HA 0.067 4.406 4.340 -0.001 0.000 0.207 106 Q C 0.121 176.137 176.000 0.027 0.000 0.956 106 Q CA 0.104 55.918 55.803 0.018 0.000 0.917 106 Q CB -0.126 28.623 28.738 0.019 0.000 0.997 106 Q HN 0.251 nan 8.270 nan 0.000 0.497 107 L N 1.302 122.544 121.223 0.032 0.000 2.380 107 L HA 0.002 4.341 4.340 -0.001 0.000 0.273 107 L C 1.397 178.275 176.870 0.013 0.000 1.138 107 L CA 0.472 55.329 54.840 0.029 0.000 0.832 107 L CB 0.764 42.836 42.059 0.021 0.000 1.124 107 L HN -0.044 nan 8.230 nan 0.000 0.454 108 Q N 1.912 121.720 119.800 0.013 0.000 1.967 108 Q HA 0.044 4.384 4.340 -0.001 0.000 0.196 108 Q C 0.422 176.422 176.000 0.000 0.000 0.978 108 Q CA 0.815 56.622 55.803 0.006 0.000 0.833 108 Q CB -0.119 28.625 28.738 0.009 0.000 0.898 108 Q HN 0.612 nan 8.270 nan 0.000 0.446 109 N N 0.764 119.465 118.700 0.001 0.000 2.256 109 N HA -0.111 4.628 4.740 -0.001 0.000 0.277 109 N C 0.527 176.029 175.510 -0.012 0.000 1.362 109 N CA 0.881 53.929 53.050 -0.004 0.000 0.861 109 N CB 0.703 39.189 38.487 -0.002 0.000 1.136 109 N HN 0.481 nan 8.380 nan 0.000 0.492 110 T N 0.343 114.887 114.554 -0.016 0.000 2.867 110 T HA -0.116 4.234 4.350 -0.001 0.000 0.268 110 T C 1.660 176.341 174.700 -0.032 0.000 1.057 110 T CA 1.616 63.701 62.100 -0.026 0.000 1.136 110 T CB -0.323 68.527 68.868 -0.030 0.000 0.874 110 T HN 0.430 nan 8.240 nan 0.000 0.466 111 T N 1.728 116.267 114.554 -0.026 0.000 2.867 111 T HA 0.193 4.543 4.350 -0.001 0.000 0.268 111 T C 1.842 176.528 174.700 -0.023 0.000 1.057 111 T CA 1.029 63.114 62.100 -0.026 0.000 1.136 111 T CB -0.332 68.528 68.868 -0.014 0.000 0.874 111 T HN 0.412 nan 8.240 nan 0.000 0.466 112 I N 0.559 121.115 120.570 -0.023 0.000 2.333 112 I HA -0.056 4.114 4.170 -0.001 0.000 0.246 112 I C 2.582 178.671 176.117 -0.047 0.000 1.106 112 I CA 0.943 62.223 61.300 -0.033 0.000 1.411 112 I CB -0.241 37.741 38.000 -0.031 0.000 1.082 112 I HN 0.132 nan 8.210 nan 0.000 0.420 113 K N 1.334 121.711 120.400 -0.039 0.000 2.074 113 K HA -0.263 4.056 4.320 -0.001 0.000 0.209 113 K C 2.354 178.934 176.600 -0.034 0.000 1.048 113 K CA 1.660 57.924 56.287 -0.037 0.000 0.926 113 K CB -0.090 32.395 32.500 -0.025 0.000 0.713 113 K HN 0.124 nan 8.250 nan 0.000 0.444 114 R N 0.547 121.027 120.500 -0.033 0.000 2.066 114 R HA -0.070 4.269 4.340 -0.001 0.000 0.232 114 R C 2.334 178.635 176.300 0.000 0.000 1.131 114 R CA 1.550 57.633 56.100 -0.028 0.000 0.955 114 R CB -0.201 30.062 30.300 -0.062 0.000 0.851 114 R HN 0.242 nan 8.270 nan 0.000 0.432 115 I N 0.498 121.063 120.570 -0.008 0.000 2.179 115 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 115 I C 2.229 178.316 176.117 -0.049 0.000 1.088 115 I CA 1.288 62.584 61.300 -0.006 0.000 1.357 115 I CB -0.210 37.778 38.000 -0.021 0.000 1.051 115 I HN 0.228 nan 8.210 nan 0.000 0.409 116 I N 0.539 121.072 120.570 -0.062 0.000 2.286 116 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 116 I C 2.644 178.737 176.117 -0.041 0.000 1.115 116 I CA 1.113 62.370 61.300 -0.071 0.000 1.392 116 I CB -0.505 37.392 38.000 -0.172 0.000 1.065 116 I HN 0.231 nan 8.210 nan 0.000 0.418 117 K N 1.866 122.255 120.400 -0.018 0.000 2.097 117 K HA -0.228 4.091 4.320 -0.001 0.000 0.206 117 K C 2.033 178.655 176.600 0.036 0.000 1.049 117 K CA 1.631 57.923 56.287 0.008 0.000 0.933 117 K CB -0.157 32.353 32.500 0.017 0.000 0.717 117 K HN 0.245 nan 8.250 nan 0.000 0.442 118 K N 0.238 120.670 120.400 0.053 0.000 2.097 118 K HA -0.036 4.283 4.320 -0.001 0.000 0.205 118 K C 1.812 178.442 176.600 0.051 0.000 1.050 118 K CA 0.860 57.202 56.287 0.091 0.000 0.938 118 K CB 0.190 32.776 32.500 0.144 0.000 0.718 118 K HN -0.073 nan 8.250 nan 0.000 0.442 119 V N 1.681 121.574 119.914 -0.034 0.000 2.970 119 V HA -0.158 3.961 4.120 -0.001 0.000 0.260 119 V C 1.832 177.938 176.094 0.019 0.000 1.100 119 V CA 1.344 63.593 62.300 -0.084 0.000 1.122 119 V CB -0.377 31.249 31.823 -0.330 0.000 0.721 119 V HN 0.379 nan 8.190 nan 0.000 0.483 120 Q N -0.322 119.492 119.800 0.023 0.000 2.369 120 Q HA -0.071 4.269 4.340 -0.001 0.000 0.206 120 Q C 0.718 176.741 176.000 0.040 0.000 0.963 120 Q CA 0.504 56.323 55.803 0.027 0.000 0.894 120 Q CB 0.016 28.758 28.738 0.007 0.000 0.965 120 Q HN 0.504 nan 8.270 nan 0.000 0.475 121 D N 0.473 120.912 120.400 0.066 0.000 2.347 121 D HA 0.087 4.726 4.640 -0.001 0.000 0.235 121 D C 0.515 176.871 176.300 0.093 0.000 1.149 121 D CA -0.091 53.966 54.000 0.095 0.000 0.850 121 D CB 0.904 41.793 40.800 0.148 0.000 1.061 121 D HN 0.085 nan 8.370 nan 0.000 0.487 122 L N 3.037 124.306 121.223 0.076 0.000 2.492 122 L HA 0.046 4.386 4.340 -0.001 0.000 0.223 122 L C 1.240 178.145 176.870 0.058 0.000 1.132 122 L CA -0.106 54.778 54.840 0.074 0.000 0.850 122 L CB -0.402 41.689 42.059 0.054 0.000 0.966 122 L HN 0.431 nan 8.230 nan 0.000 0.454 123 E N 0.409 120.641 120.200 0.053 0.000 3.295 123 E HA -0.362 3.987 4.350 -0.001 0.000 0.276 123 E C 1.347 177.947 176.600 -0.001 0.000 1.444 123 E CA 1.613 58.030 56.400 0.029 0.000 1.960 123 E CB -0.880 28.835 29.700 0.024 0.000 1.995 123 E HN 0.477 nan 8.360 nan 0.000 0.507 124 R N 1.541 122.047 120.500 0.010 0.000 2.159 124 R HA 0.079 4.418 4.340 -0.001 0.000 0.237 124 R C 2.096 178.402 176.300 0.009 0.000 1.131 124 R CA 2.017 58.116 56.100 -0.002 0.000 0.982 124 R CB -0.438 29.964 30.300 0.171 0.000 0.868 124 R HN 0.413 nan 8.270 nan 0.000 0.453 125 A N 1.209 124.045 122.820 0.027 0.000 2.178 125 A HA 0.045 4.364 4.320 -0.001 0.000 0.218 125 A C 2.310 179.906 177.584 0.020 0.000 1.157 125 A CA 1.282 53.340 52.037 0.035 0.000 0.689 125 A CB -0.454 18.580 19.000 0.056 0.000 0.787 125 A HN 0.579 nan 8.150 nan 0.000 0.465 126 A N -0.637 122.183 122.820 -0.000 0.000 2.119 126 A HA 0.329 4.648 4.320 -0.001 0.000 0.216 126 A C 0.960 178.525 177.584 -0.031 0.000 1.152 126 A CA 0.014 52.043 52.037 -0.013 0.000 0.708 126 A CB -0.314 18.674 19.000 -0.020 0.000 0.805 126 A HN 0.450 nan 8.150 nan 0.000 0.460 127 L N 0.804 122.001 121.223 -0.044 0.000 2.426 127 L HA 0.204 4.544 4.340 -0.001 0.000 0.271 127 L C -2.215 174.642 176.870 -0.021 0.000 1.169 127 L CA -1.865 52.943 54.840 -0.053 0.000 0.836 127 L CB 0.306 42.319 42.059 -0.077 0.000 1.112 127 L HN 0.042 nan 8.230 nan 0.000 0.465 128 P HA -0.025 nan 4.420 nan 0.000 0.267 128 P C 0.253 177.557 177.300 0.006 0.000 1.200 128 P CA 0.039 63.134 63.100 -0.008 0.000 0.772 128 P CB 0.807 32.500 31.700 -0.012 0.000 0.855 129 A N 2.819 125.647 122.820 0.014 0.000 1.915 129 A HA -0.337 3.982 4.320 -0.001 0.000 0.220 129 A C 2.192 179.794 177.584 0.029 0.000 1.198 129 A CA 2.289 54.340 52.037 0.024 0.000 0.647 129 A CB -1.478 17.536 19.000 0.023 0.000 0.825 129 A HN 0.705 nan 8.150 nan 0.000 0.456 130 Q N -0.982 118.831 119.800 0.022 0.000 2.050 130 Q HA -0.254 4.085 4.340 -0.001 0.000 0.202 130 Q C 1.950 177.971 176.000 0.036 0.000 0.980 130 Q CA 2.040 57.858 55.803 0.026 0.000 0.840 130 Q CB -0.120 28.629 28.738 0.018 0.000 0.898 130 Q HN 0.730 nan 8.270 nan 0.000 0.424 131 E N 0.365 120.581 120.200 0.027 0.000 2.106 131 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 131 E C 1.751 178.397 176.600 0.077 0.000 0.984 131 E CA 0.790 57.211 56.400 0.035 0.000 0.806 131 E CB -0.188 29.507 29.700 -0.008 0.000 0.750 131 E HN 0.270 nan 8.360 nan 0.000 0.458 132 L N 1.495 122.758 121.223 0.067 0.000 2.012 132 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 132 L C 2.218 179.167 176.870 0.131 0.000 1.073 132 L CA 2.193 57.100 54.840 0.113 0.000 0.748 132 L CB -0.591 41.513 42.059 0.074 0.000 0.891 132 L HN 0.225 nan 8.230 nan 0.000 0.431 133 E N -0.545 119.705 120.200 0.084 0.000 2.051 133 E HA -0.322 4.027 4.350 -0.001 0.000 0.192 133 E C 2.109 178.752 176.600 0.072 0.000 0.991 133 E CA 1.574 58.014 56.400 0.066 0.000 0.799 133 E CB -0.428 29.301 29.700 0.049 0.000 0.748 133 E HN 0.727 nan 8.360 nan 0.000 0.449 134 E N -0.688 119.566 120.200 0.089 0.000 2.077 134 E HA -0.249 4.101 4.350 -0.001 0.000 0.193 134 E C 2.028 178.710 176.600 0.137 0.000 0.989 134 E CA 1.143 57.603 56.400 0.099 0.000 0.800 134 E CB -0.347 29.411 29.700 0.097 0.000 0.746 134 E HN 0.436 nan 8.360 nan 0.000 0.452 135 Y N 2.038 122.354 120.300 0.027 0.000 2.114 135 Y HA -0.219 4.331 4.550 -0.001 0.000 0.284 135 Y C 1.951 177.871 175.900 0.033 0.000 1.143 135 Y CA 2.084 60.205 58.100 0.035 0.000 1.135 135 Y CB -0.478 37.990 38.460 0.013 0.000 0.980 135 Y HN 0.102 nan 8.280 nan 0.000 0.499 136 N N 0.659 119.319 118.700 -0.066 0.000 2.205 136 N HA -0.205 4.534 4.740 -0.001 0.000 0.186 136 N C 1.888 177.299 175.510 -0.165 0.000 1.015 136 N CA 1.609 54.557 53.050 -0.170 0.000 0.862 136 N CB -0.403 38.057 38.487 -0.045 0.000 0.986 136 N HN 0.473 nan 8.380 nan 0.000 0.429 137 K N 0.666 121.016 120.400 -0.084 0.000 2.103 137 K HA 0.001 4.320 4.320 -0.001 0.000 0.204 137 K C 1.843 178.371 176.600 -0.119 0.000 1.052 137 K CA 0.506 56.746 56.287 -0.079 0.000 0.945 137 K CB 0.107 32.601 32.500 -0.010 0.000 0.722 137 K HN -0.061 nan 8.250 nan 0.000 0.443 138 I N 1.961 122.482 120.570 -0.081 0.000 2.127 138 I HA -0.305 3.864 4.170 -0.001 0.000 0.241 138 I C 2.339 178.301 176.117 -0.258 0.000 1.075 138 I CA 1.388 62.636 61.300 -0.086 0.000 1.334 138 I CB -1.107 36.944 38.000 0.085 0.000 1.040 138 I HN 0.270 nan 8.210 nan 0.000 0.405 139 L N -0.248 120.802 121.223 -0.288 0.000 2.012 139 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 139 L C 2.624 179.325 176.870 -0.283 0.000 1.073 139 L CA 1.111 55.763 54.840 -0.313 0.000 0.748 139 L CB -0.645 41.190 42.059 -0.373 0.000 0.891 139 L HN 0.232 nan 8.230 nan 0.000 0.431 140 L N -0.202 120.858 121.223 -0.272 0.000 2.093 140 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 140 L C 2.063 178.799 176.870 -0.224 0.000 1.085 140 L CA 1.800 56.480 54.840 -0.265 0.000 0.755 140 L CB -0.664 41.223 42.059 -0.286 0.000 0.904 140 L HN 0.210 nan 8.230 nan 0.000 0.435 141 D N -1.173 119.035 120.400 -0.320 0.000 2.144 141 D HA -0.170 4.470 4.640 -0.001 0.000 0.200 141 D C 2.285 178.236 176.300 -0.581 0.000 0.978 141 D CA 1.332 55.063 54.000 -0.447 0.000 0.833 141 D CB -0.066 40.335 40.800 -0.665 0.000 0.961 141 D HN 0.350 nan 8.370 nan 0.000 0.470 142 M N 0.166 119.384 119.600 -0.637 0.000 2.099 142 M HA -0.144 4.335 4.480 -0.001 0.000 0.262 142 M C 2.166 178.366 176.300 -0.167 0.000 1.067 142 M CA 1.111 56.159 55.300 -0.420 0.000 1.124 142 M CB -0.167 32.237 32.600 -0.326 0.000 1.353 142 M HN -0.129 nan 8.290 nan 0.000 0.410 143 E N 0.465 120.582 120.200 -0.138 0.000 2.051 143 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 143 E C 1.755 178.440 176.600 0.143 0.000 0.991 143 E CA 2.153 58.558 56.400 0.008 0.000 0.799 143 E CB -0.339 29.399 29.700 0.064 0.000 0.748 143 E HN 0.329 nan 8.360 nan 0.000 0.449 144 T N -0.269 114.363 114.554 0.130 0.000 2.746 144 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 144 T C 1.836 176.599 174.700 0.105 0.000 1.039 144 T CA 1.878 64.068 62.100 0.150 0.000 1.142 144 T CB -0.684 68.266 68.868 0.137 0.000 0.866 144 T HN 0.255 nan 8.240 nan 0.000 0.444 145 T N 0.808 115.397 114.554 0.058 0.000 2.720 145 T HA -0.131 4.219 4.350 -0.001 0.000 0.268 145 T C 1.607 176.365 174.700 0.095 0.000 1.037 145 T CA 1.355 63.497 62.100 0.069 0.000 1.144 145 T CB -0.488 68.424 68.868 0.074 0.000 0.864 145 T HN 0.484 nan 8.240 nan 0.000 0.444 146 Y N 1.772 122.080 120.300 0.015 0.000 2.163 146 Y HA -0.125 4.424 4.550 -0.001 0.000 0.288 146 Y C 2.675 178.695 175.900 0.201 0.000 1.136 146 Y CA 1.349 59.491 58.100 0.070 0.000 1.147 146 Y CB -0.321 38.179 38.460 0.067 0.000 0.987 146 Y HN 0.103 nan 8.280 nan 0.000 0.509 147 S N -0.557 115.330 115.700 0.310 0.000 2.419 147 S HA -0.144 4.325 4.470 -0.001 0.000 0.233 147 S C 1.806 176.477 174.600 0.118 0.000 1.016 147 S CA 1.407 59.744 58.200 0.229 0.000 0.974 147 S CB -0.525 62.790 63.200 0.191 0.000 0.786 147 S HN 0.519 nan 8.310 nan 0.000 0.492 148 V N -1.354 118.614 119.914 0.090 0.000 3.621 148 V HA 0.581 4.701 4.120 -0.001 0.000 0.285 148 V C 0.667 176.798 176.094 0.061 0.000 1.346 148 V CA -0.208 62.130 62.300 0.063 0.000 1.104 148 V CB -0.933 30.920 31.823 0.050 0.000 0.913 148 V HN 0.304 nan 8.190 nan 0.000 0.432 149 A N 2.053 124.905 122.820 0.054 0.000 2.511 149 A HA 0.536 4.855 4.320 -0.001 0.000 0.242 149 A C 0.681 178.357 177.584 0.153 0.000 1.069 149 A CA 0.971 53.022 52.037 0.024 0.000 0.763 149 A CB -0.337 18.540 19.000 -0.204 0.000 1.001 149 A HN 1.032 nan 8.150 nan 0.000 0.498 150 T N -1.193 113.416 114.554 0.093 0.000 2.896 150 T HA 0.637 4.986 4.350 -0.001 0.000 0.297 150 T C -0.878 173.861 174.700 0.064 0.000 1.108 150 T CA -0.719 61.447 62.100 0.111 0.000 1.004 150 T CB 1.426 70.338 68.868 0.074 0.000 1.159 150 T HN 0.753 nan 8.240 nan 0.000 0.499 151 V N 1.452 121.399 119.914 0.055 0.000 2.407 151 V HA 0.491 4.610 4.120 -0.001 0.000 0.291 151 V C 0.077 176.210 176.094 0.064 0.000 1.018 151 V CA -0.798 61.474 62.300 -0.046 0.000 0.842 151 V CB 0.710 32.380 31.823 -0.255 0.000 0.996 151 V HN 1.233 nan 8.190 nan 0.000 0.426 152 c N 4.011 122.666 118.600 0.091 0.000 2.407 152 c HA 0.670 5.240 4.570 -0.001 0.000 0.366 152 c C 0.186 174.421 174.090 0.242 0.000 1.213 152 c CA -0.699 55.727 56.329 0.163 0.000 2.011 152 c CB 0.972 43.555 42.510 0.122 0.000 2.306 152 c HN 0.806 nan 8.230 nan 0.000 0.527 153 H N 0.236 119.463 119.070 0.263 0.000 2.595 153 H HA 0.269 4.824 4.556 -0.001 0.000 0.346 153 H C -1.589 173.797 175.328 0.097 0.000 1.181 153 H CA -1.382 54.758 56.048 0.154 0.000 1.242 153 H CB 0.963 30.701 29.762 -0.041 0.000 1.652 153 H HN 0.362 nan 8.280 nan 0.000 0.548 154 P HA -0.206 nan 4.420 nan 0.000 0.216 154 P C 1.030 178.384 177.300 0.090 0.000 1.157 154 P CA 1.940 65.114 63.100 0.123 0.000 0.880 154 P CB 0.279 32.029 31.700 0.083 0.000 0.791 155 N N -1.225 117.518 118.700 0.071 0.000 2.043 155 N HA -0.091 4.648 4.740 -0.001 0.000 0.193 155 N C 1.401 176.948 175.510 0.061 0.000 1.037 155 N CA 2.356 55.432 53.050 0.043 0.000 0.851 155 N CB -1.227 37.264 38.487 0.006 0.000 1.027 155 N HN 0.283 nan 8.380 nan 0.000 0.422 156 G N -2.882 105.975 108.800 0.094 0.000 3.288 156 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.219 156 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.219 156 G C -0.591 174.370 174.900 0.102 0.000 0.944 156 G CA -0.076 45.077 45.100 0.088 0.000 0.854 156 G HN 0.328 nan 8.290 nan 0.000 0.632 157 S N 0.867 116.649 115.700 0.136 0.000 2.430 157 S HA 0.472 4.941 4.470 -0.001 0.000 0.282 157 S C 0.389 175.102 174.600 0.188 0.000 1.186 157 S CA -0.021 58.269 58.200 0.150 0.000 1.060 157 S CB 0.447 63.743 63.200 0.160 0.000 0.966 157 S HN 0.463 nan 8.310 nan 0.000 0.501 158 c N 5.094 123.776 118.600 0.137 0.000 2.329 158 c HA 0.619 5.189 4.570 -0.001 0.000 0.329 158 c C -0.107 174.058 174.090 0.125 0.000 1.275 158 c CA -1.023 55.385 56.329 0.131 0.000 1.726 158 c CB -0.255 42.310 42.510 0.093 0.000 2.291 158 c HN 0.634 nan 8.230 nan 0.000 0.514 159 L N 3.217 124.527 121.223 0.144 0.000 2.325 159 L HA 0.478 4.818 4.340 -0.001 0.000 0.278 159 L C 0.334 177.242 176.870 0.064 0.000 1.023 159 L CA 0.163 55.072 54.840 0.114 0.000 0.811 159 L CB 0.730 42.889 42.059 0.168 0.000 1.249 159 L HN 0.674 nan 8.230 nan 0.000 0.431 160 Q N 0.624 120.439 119.800 0.025 0.000 2.185 160 Q HA 0.255 4.594 4.340 -0.001 0.000 0.225 160 Q C 0.765 176.685 176.000 -0.133 0.000 0.983 160 Q CA -0.816 54.982 55.803 -0.009 0.000 0.950 160 Q CB 1.334 30.071 28.738 -0.001 0.000 1.176 160 Q HN 0.493 nan 8.270 nan 0.000 0.510 161 L N 0.510 121.562 121.223 -0.284 0.000 2.027 161 L HA -0.078 4.261 4.340 -0.001 0.000 0.206 161 L C 0.083 176.788 176.870 -0.275 0.000 1.074 161 L CA 1.908 56.413 54.840 -0.560 0.000 0.745 161 L CB 0.191 41.725 42.059 -0.876 0.000 0.898 161 L HN 0.509 nan 8.230 nan 0.000 0.433 162 E N 0.515 120.630 120.200 -0.140 0.000 2.145 162 E HA 0.291 4.641 4.350 -0.001 0.000 0.270 162 E C -1.996 174.585 176.600 -0.033 0.000 0.906 162 E CA -1.576 54.786 56.400 -0.062 0.000 0.761 162 E CB 1.585 31.274 29.700 -0.018 0.000 1.116 162 E HN 0.193 nan 8.360 nan 0.000 0.408 163 P HA 0.090 nan 4.420 nan 0.000 0.275 163 P C 0.137 177.420 177.300 -0.028 0.000 1.310 163 P CA 0.018 63.105 63.100 -0.021 0.000 0.904 163 P CB 0.826 32.528 31.700 0.003 0.000 1.381 164 D N 1.434 121.821 120.400 -0.023 0.000 2.182 164 D HA -0.165 4.474 4.640 -0.001 0.000 0.193 164 D C 2.161 178.453 176.300 -0.015 0.000 0.999 164 D CA 1.310 55.310 54.000 0.000 0.000 0.850 164 D CB -0.830 39.986 40.800 0.027 0.000 0.994 164 D HN 0.183 nan 8.370 nan 0.000 0.450 165 L N 0.649 121.827 121.223 -0.074 0.000 2.079 165 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 165 L C 2.671 179.451 176.870 -0.150 0.000 1.081 165 L CA 1.190 55.959 54.840 -0.119 0.000 0.752 165 L CB -0.730 41.156 42.059 -0.288 0.000 0.896 165 L HN 0.053 nan 8.230 nan 0.000 0.433 166 T N -0.643 113.811 114.554 -0.168 0.000 2.746 166 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 166 T C 1.825 176.487 174.700 -0.062 0.000 1.039 166 T CA 1.570 63.591 62.100 -0.132 0.000 1.142 166 T CB -0.319 68.501 68.868 -0.080 0.000 0.866 166 T HN 0.368 nan 8.240 nan 0.000 0.444 167 N N 0.880 119.560 118.700 -0.033 0.000 2.188 167 N HA -0.093 4.646 4.740 -0.001 0.000 0.184 167 N C 1.914 177.428 175.510 0.006 0.000 1.018 167 N CA 0.999 54.046 53.050 -0.005 0.000 0.858 167 N CB -0.182 38.309 38.487 0.007 0.000 0.989 167 N HN 0.213 nan 8.380 nan 0.000 0.426 168 V N 1.879 121.803 119.914 0.017 0.000 2.261 168 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 168 V C 2.630 178.740 176.094 0.027 0.000 1.047 168 V CA 1.317 63.646 62.300 0.048 0.000 1.015 168 V CB -0.440 31.449 31.823 0.110 0.000 0.642 168 V HN 0.336 nan 8.190 nan 0.000 0.446 169 M N -0.219 119.377 119.600 -0.007 0.000 2.202 169 M HA -0.127 4.353 4.480 -0.001 0.000 0.262 169 M C 2.204 178.491 176.300 -0.021 0.000 1.063 169 M CA 2.138 57.422 55.300 -0.027 0.000 1.097 169 M CB -1.446 31.103 32.600 -0.085 0.000 1.382 169 M HN 0.439 nan 8.290 nan 0.000 0.413 170 A N -0.485 122.329 122.820 -0.011 0.000 2.030 170 A HA -0.012 4.307 4.320 -0.001 0.000 0.215 170 A C 2.163 179.752 177.584 0.009 0.000 1.164 170 A CA 1.658 53.698 52.037 0.004 0.000 0.697 170 A CB -0.516 18.491 19.000 0.011 0.000 0.827 170 A HN 0.559 nan 8.150 nan 0.000 0.457 171 T N -4.233 110.327 114.554 0.010 0.000 2.969 171 T HA 0.210 4.559 4.350 -0.001 0.000 0.250 171 T C 0.979 175.688 174.700 0.015 0.000 1.021 171 T CA 0.652 62.759 62.100 0.012 0.000 1.003 171 T CB -0.391 68.486 68.868 0.015 0.000 1.040 171 T HN 0.227 nan 8.240 nan 0.000 0.492 172 S N 0.892 116.608 115.700 0.026 0.000 2.564 172 S HA 0.428 4.897 4.470 -0.001 0.000 0.278 172 S C 0.467 175.102 174.600 0.058 0.000 1.333 172 S CA -0.547 57.680 58.200 0.044 0.000 1.048 172 S CB 0.572 63.809 63.200 0.062 0.000 0.900 172 S HN 0.265 nan 8.310 nan 0.000 0.505 173 R N 2.214 122.769 120.500 0.091 0.000 2.629 173 R HA 0.320 4.660 4.340 -0.001 0.000 0.386 173 R C -0.635 175.850 176.300 0.308 0.000 1.071 173 R CA 0.021 56.220 56.100 0.166 0.000 1.104 173 R CB 0.424 30.755 30.300 0.051 0.000 1.370 173 R HN 0.526 nan 8.270 nan 0.000 0.574 174 K N 0.077 120.610 120.400 0.222 0.000 2.316 174 K HA 0.136 4.456 4.320 -0.001 0.000 0.267 174 K C -0.064 176.666 176.600 0.216 0.000 1.025 174 K CA -0.473 55.945 56.287 0.219 0.000 0.896 174 K CB 1.162 33.737 32.500 0.125 0.000 1.124 174 K HN -0.024 nan 8.250 nan 0.000 0.451 175 Y N 2.945 123.323 120.300 0.129 0.000 2.096 175 Y HA -0.379 4.170 4.550 -0.001 0.000 0.276 175 Y C 1.815 177.752 175.900 0.061 0.000 1.209 175 Y CA 1.949 60.030 58.100 -0.031 0.000 1.137 175 Y CB 0.368 38.752 38.460 -0.126 0.000 0.956 175 Y HN 0.622 nan 8.280 nan 0.000 0.506 176 E N -0.270 120.090 120.200 0.266 0.000 2.152 176 E HA -0.153 4.196 4.350 -0.001 0.000 0.192 176 E C 1.710 178.432 176.600 0.203 0.000 0.983 176 E CA 1.279 57.808 56.400 0.215 0.000 0.818 176 E CB -0.288 29.508 29.700 0.160 0.000 0.758 176 E HN 0.623 nan 8.360 nan 0.000 0.467 177 D N 0.548 121.051 120.400 0.171 0.000 2.149 177 D HA -0.043 4.597 4.640 -0.001 0.000 0.201 177 D C 2.197 178.650 176.300 0.254 0.000 0.972 177 D CA 0.414 54.533 54.000 0.199 0.000 0.835 177 D CB -0.170 40.702 40.800 0.119 0.000 0.966 177 D HN 0.146 nan 8.370 nan 0.000 0.476 178 L N 0.187 121.505 121.223 0.159 0.000 2.056 178 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 178 L C 2.335 179.340 176.870 0.226 0.000 1.078 178 L CA 0.444 55.365 54.840 0.134 0.000 0.749 178 L CB -0.305 41.716 42.059 -0.063 0.000 0.901 178 L HN 0.075 nan 8.230 nan 0.000 0.433 179 L N -0.621 120.719 121.223 0.194 0.000 2.046 179 L HA -0.222 4.117 4.340 -0.001 0.000 0.208 179 L C 2.257 179.238 176.870 0.186 0.000 1.077 179 L CA 1.756 56.626 54.840 0.050 0.000 0.747 179 L CB -0.749 41.273 42.059 -0.061 0.000 0.896 179 L HN 0.310 nan 8.230 nan 0.000 0.432 180 W N 0.360 121.711 121.300 0.086 0.000 2.318 180 W HA -0.276 4.383 4.660 -0.002 0.000 0.313 180 W C 2.355 178.922 176.519 0.081 0.000 1.221 180 W CA 2.874 60.269 57.345 0.083 0.000 1.266 180 W CB -0.507 29.009 29.460 0.093 0.000 1.150 180 W HN 0.257 nan 8.180 nan 0.000 0.496 181 A N -0.861 122.040 122.820 0.136 0.000 1.898 181 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 181 A C 1.745 179.276 177.584 -0.088 0.000 1.181 181 A CA 1.473 53.452 52.037 -0.097 0.000 0.620 181 A CB -1.705 17.379 19.000 0.140 0.000 0.819 181 A HN 0.612 nan 8.150 nan 0.000 0.442 182 W N 0.810 122.038 121.300 -0.121 0.000 2.354 182 W HA -0.195 4.465 4.660 -0.001 0.000 0.315 182 W C 2.133 178.595 176.519 -0.096 0.000 1.206 182 W CA 2.208 59.495 57.345 -0.096 0.000 1.290 182 W CB -0.057 29.358 29.460 -0.076 0.000 1.152 182 W HN 0.393 nan 8.180 nan 0.000 0.489 183 E N -0.223 120.077 120.200 0.168 0.000 2.072 183 E HA -0.064 4.285 4.350 -0.001 0.000 0.191 183 E C 2.397 178.855 176.600 -0.236 0.000 0.985 183 E CA 2.120 58.514 56.400 -0.010 0.000 0.801 183 E CB -1.110 28.645 29.700 0.092 0.000 0.750 183 E HN 0.217 nan 8.360 nan 0.000 0.452 184 G N 0.655 109.240 108.800 -0.359 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 1.493 176.219 174.900 -0.291 0.000 1.154 184 G CA 0.754 45.581 45.100 -0.455 0.000 0.767 184 G HN 0.480 nan 8.290 nan 0.000 0.552 185 W N 1.405 122.437 121.300 -0.447 0.000 2.338 185 W HA -0.092 4.567 4.660 -0.001 0.000 0.304 185 W C 2.659 178.985 176.519 -0.323 0.000 1.212 185 W CA 1.131 58.256 57.345 -0.367 0.000 1.264 185 W CB 0.043 29.273 29.460 -0.383 0.000 1.142 185 W HN 0.185 nan 8.180 nan 0.000 0.512 186 R N 0.036 120.263 120.500 -0.455 0.000 2.090 186 R HA -0.136 4.204 4.340 -0.001 0.000 0.228 186 R C 1.739 177.811 176.300 -0.379 0.000 1.110 186 R CA 1.676 57.476 56.100 -0.501 0.000 0.973 186 R CB -0.507 29.478 30.300 -0.524 0.000 0.869 186 R HN 0.058 nan 8.270 nan 0.000 0.440 187 D N 0.493 120.711 120.400 -0.303 0.000 2.117 187 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 187 D C 1.685 177.849 176.300 -0.228 0.000 0.987 187 D CA 1.195 55.067 54.000 -0.214 0.000 0.829 187 D CB 0.107 40.803 40.800 -0.173 0.000 0.961 187 D HN 0.035 nan 8.370 nan 0.000 0.460 188 K N 0.478 120.696 120.400 -0.302 0.000 2.078 188 K HA 0.177 4.496 4.320 -0.001 0.000 0.203 188 K C 1.984 178.346 176.600 -0.397 0.000 1.043 188 K CA 0.771 56.883 56.287 -0.291 0.000 0.960 188 K CB -0.468 31.884 32.500 -0.246 0.000 0.761 188 K HN 0.050 nan 8.250 nan 0.000 0.448 189 A N 1.056 123.435 122.820 -0.736 0.000 1.850 189 A HA 0.107 4.426 4.320 -0.001 0.000 0.212 189 A C 2.445 179.771 177.584 -0.431 0.000 1.208 189 A CA 1.572 53.139 52.037 -0.784 0.000 0.609 189 A CB -1.229 16.748 19.000 -1.706 0.000 0.860 189 A HN 0.299 nan 8.150 nan 0.000 0.448 190 G N -0.079 108.433 108.800 -0.480 0.000 2.514 190 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.217 190 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.217 190 G C 1.738 176.603 174.900 -0.058 0.000 1.198 190 G CA 1.085 46.021 45.100 -0.274 0.000 0.780 190 G HN 0.533 nan 8.290 nan 0.000 0.565 191 R N 0.511 120.957 120.500 -0.090 0.000 2.105 191 R HA -0.022 4.317 4.340 -0.001 0.000 0.239 191 R C 2.905 179.203 176.300 -0.002 0.000 1.135 191 R CA 1.111 57.201 56.100 -0.017 0.000 0.967 191 R CB -0.359 29.908 30.300 -0.056 0.000 0.861 191 R HN 0.374 nan 8.270 nan 0.000 0.442 192 A N 0.740 123.546 122.820 -0.024 0.000 2.119 192 A HA -0.054 4.265 4.320 -0.001 0.000 0.217 192 A C 1.835 179.512 177.584 0.155 0.000 1.153 192 A CA 0.849 52.906 52.037 0.032 0.000 0.692 192 A CB -0.088 18.922 19.000 0.015 0.000 0.799 192 A HN 0.092 nan 8.150 nan 0.000 0.458 193 I N -0.842 119.836 120.570 0.181 0.000 3.030 193 I HA -0.044 4.125 4.170 -0.001 0.000 0.270 193 I C 2.117 178.370 176.117 0.228 0.000 1.211 193 I CA 0.512 62.005 61.300 0.322 0.000 1.479 193 I CB -0.912 37.257 38.000 0.281 0.000 1.105 193 I HN 0.304 nan 8.210 nan 0.000 0.447 194 L N 1.918 123.167 121.223 0.044 0.000 2.043 194 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 194 L C 2.634 179.420 176.870 -0.140 0.000 1.075 194 L CA 2.098 56.800 54.840 -0.230 0.000 0.752 194 L CB -0.823 41.144 42.059 -0.153 0.000 0.891 194 L HN 0.467 nan 8.230 nan 0.000 0.432 195 Q N -2.353 117.332 119.800 -0.192 0.000 2.291 195 Q HA -0.205 4.134 4.340 -0.001 0.000 0.206 195 Q C 1.768 177.562 176.000 -0.342 0.000 0.976 195 Q CA 2.065 57.669 55.803 -0.331 0.000 0.875 195 Q CB -0.618 27.805 28.738 -0.525 0.000 0.927 195 Q HN 0.532 nan 8.270 nan 0.000 0.450 196 F N -1.529 118.450 119.950 0.049 0.000 2.582 196 F HA 0.126 4.653 4.527 -0.001 0.000 0.290 196 F C 1.724 177.616 175.800 0.153 0.000 1.115 196 F CA -0.188 57.863 58.000 0.086 0.000 1.445 196 F CB -0.117 38.925 39.000 0.070 0.000 1.126 196 F HN -0.066 nan 8.300 nan 0.000 0.574 197 Y N 1.641 122.042 120.300 0.169 0.000 2.128 197 Y HA -0.148 4.401 4.550 -0.001 0.000 0.284 197 Y C -0.624 175.453 175.900 0.296 0.000 1.154 197 Y CA 1.730 59.945 58.100 0.191 0.000 1.149 197 Y CB -1.777 36.620 38.460 -0.105 0.000 0.976 197 Y HN -0.060 nan 8.280 nan 0.000 0.505 198 P HA -0.190 nan 4.420 nan 0.000 0.215 198 P C 1.474 178.842 177.300 0.114 0.000 1.153 198 P CA 2.127 65.356 63.100 0.215 0.000 0.853 198 P CB 0.036 31.817 31.700 0.135 0.000 0.788 199 K N -1.003 119.473 120.400 0.127 0.000 2.097 199 K HA -0.180 4.140 4.320 -0.001 0.000 0.205 199 K C 2.155 178.831 176.600 0.127 0.000 1.050 199 K CA 1.286 57.638 56.287 0.109 0.000 0.938 199 K CB -1.460 31.120 32.500 0.133 0.000 0.718 199 K HN 0.096 nan 8.250 nan 0.000 0.442 200 Y N 0.017 120.344 120.300 0.045 0.000 2.128 200 Y HA -0.198 4.351 4.550 -0.001 0.000 0.284 200 Y C 1.693 177.578 175.900 -0.025 0.000 1.154 200 Y CA 1.784 59.913 58.100 0.047 0.000 1.149 200 Y CB -0.572 37.847 38.460 -0.069 0.000 0.976 200 Y HN -0.134 nan 8.280 nan 0.000 0.505 201 V N 1.313 121.017 119.914 -0.350 0.000 2.343 201 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 201 V C 2.477 178.405 176.094 -0.277 0.000 1.051 201 V CA 2.301 64.378 62.300 -0.372 0.000 1.036 201 V CB -0.814 30.958 31.823 -0.085 0.000 0.654 201 V HN 0.597 nan 8.190 nan 0.000 0.451 202 E N 0.139 120.247 120.200 -0.154 0.000 2.051 202 E HA -0.225 4.124 4.350 -0.001 0.000 0.192 202 E C 2.218 178.694 176.600 -0.205 0.000 0.991 202 E CA 1.607 57.926 56.400 -0.135 0.000 0.799 202 E CB -0.165 29.497 29.700 -0.064 0.000 0.748 202 E HN 0.581 nan 8.360 nan 0.000 0.449 203 L N 0.663 121.757 121.223 -0.214 0.000 2.056 203 L HA -0.097 4.242 4.340 -0.001 0.000 0.207 203 L C 2.753 179.276 176.870 -0.580 0.000 1.078 203 L CA 0.744 55.394 54.840 -0.316 0.000 0.749 203 L CB -0.294 41.653 42.059 -0.187 0.000 0.901 203 L HN 0.300 nan 8.230 nan 0.000 0.433 204 I N -0.034 120.135 120.570 -0.668 0.000 2.394 204 I HA -0.247 3.922 4.170 -0.001 0.000 0.251 204 I C 2.158 177.899 176.117 -0.627 0.000 1.136 204 I CA 1.028 61.879 61.300 -0.748 0.000 1.425 204 I CB -0.039 37.499 38.000 -0.770 0.000 1.079 204 I HN 0.336 nan 8.210 nan 0.000 0.425 205 N N 0.614 118.986 118.700 -0.546 0.000 2.171 205 N HA -0.227 4.512 4.740 -0.001 0.000 0.184 205 N C 1.690 177.020 175.510 -0.299 0.000 1.021 205 N CA 1.061 53.853 53.050 -0.429 0.000 0.854 205 N CB -0.321 37.980 38.487 -0.309 0.000 0.994 205 N HN 0.491 nan 8.380 nan 0.000 0.426 206 Q N 0.537 120.173 119.800 -0.273 0.000 2.030 206 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 206 Q C 1.867 177.748 176.000 -0.197 0.000 0.986 206 Q CA 1.793 57.475 55.803 -0.202 0.000 0.843 206 Q CB -0.113 28.514 28.738 -0.185 0.000 0.904 206 Q HN 0.343 nan 8.270 nan 0.000 0.420 207 A N 0.781 123.440 122.820 -0.267 0.000 1.908 207 A HA -0.196 4.124 4.320 -0.001 0.000 0.218 207 A C 2.281 179.778 177.584 -0.146 0.000 1.181 207 A CA 1.921 53.826 52.037 -0.221 0.000 0.627 207 A CB -1.062 17.748 19.000 -0.316 0.000 0.818 207 A HN 0.583 nan 8.150 nan 0.000 0.445 208 A N -0.235 122.470 122.820 -0.191 0.000 1.883 208 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 208 A C 2.253 179.844 177.584 0.011 0.000 1.186 208 A CA 1.624 53.603 52.037 -0.097 0.000 0.624 208 A CB -0.516 18.336 19.000 -0.247 0.000 0.822 208 A HN 0.558 nan 8.150 nan 0.000 0.444 209 R N -0.635 119.826 120.500 -0.066 0.000 2.120 209 R HA -0.004 4.336 4.340 -0.001 0.000 0.234 209 R C 1.799 178.068 176.300 -0.051 0.000 1.123 209 R CA 1.244 57.313 56.100 -0.052 0.000 0.975 209 R CB -0.467 29.786 30.300 -0.077 0.000 0.866 209 R HN 0.509 nan 8.270 nan 0.000 0.446 210 L N 0.770 121.958 121.223 -0.057 0.000 2.465 210 L HA -0.059 4.281 4.340 -0.001 0.000 0.224 210 L C 1.021 177.869 176.870 -0.036 0.000 1.145 210 L CA 0.584 55.393 54.840 -0.052 0.000 0.834 210 L CB -0.140 41.884 42.059 -0.058 0.000 0.944 210 L HN 0.177 nan 8.230 nan 0.000 0.451 211 N N -0.109 118.586 118.700 -0.009 0.000 2.214 211 N HA 0.126 4.865 4.740 -0.001 0.000 0.214 211 N C 1.179 176.601 175.510 -0.146 0.000 1.132 211 N CA 0.849 53.900 53.050 0.001 0.000 0.856 211 N CB 1.349 39.915 38.487 0.131 0.000 1.020 211 N HN 0.312 nan 8.380 nan 0.000 0.509 212 G N 0.301 109.000 108.800 -0.167 0.000 2.175 212 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 212 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 212 G C -0.288 174.380 174.900 -0.386 0.000 0.982 212 G CA -0.096 44.830 45.100 -0.291 0.000 0.641 212 G HN 0.341 nan 8.290 nan 0.000 0.527 213 Y N -0.846 119.412 120.300 -0.069 0.000 2.488 213 Y HA 0.461 5.010 4.550 -0.001 0.000 0.325 213 Y C 1.781 177.622 175.900 -0.098 0.000 1.204 213 Y CA -0.334 57.718 58.100 -0.081 0.000 1.229 213 Y CB 1.469 39.870 38.460 -0.097 0.000 1.274 213 Y HN 0.275 nan 8.280 nan 0.000 0.493 214 V N -2.189 117.770 119.914 0.075 0.000 2.719 214 V HA 0.083 4.202 4.120 -0.001 0.000 0.252 214 V C -0.395 175.669 176.094 -0.049 0.000 1.065 214 V CA 1.657 63.953 62.300 -0.007 0.000 1.086 214 V CB -0.761 31.052 31.823 -0.016 0.000 0.700 214 V HN 0.917 nan 8.190 nan 0.000 0.467 215 D N -3.150 117.203 120.400 -0.079 0.000 2.769 215 D HA 0.552 5.191 4.640 -0.001 0.000 0.309 215 D C 0.658 176.742 176.300 -0.360 0.000 1.315 215 D CA -0.014 53.868 54.000 -0.197 0.000 0.780 215 D CB 0.873 41.583 40.800 -0.149 0.000 1.312 215 D HN 0.137 nan 8.370 nan 0.000 0.437 216 A N -0.063 122.349 122.820 -0.679 0.000 1.933 216 A HA 0.139 4.458 4.320 -0.001 0.000 0.218 216 A C 2.069 179.043 177.584 -1.015 0.000 1.175 216 A CA 2.341 53.692 52.037 -1.144 0.000 0.628 216 A CB -1.616 16.088 19.000 -2.161 0.000 0.814 216 A HN 0.708 nan 8.150 nan 0.000 0.444 217 G N -0.190 108.309 108.800 -0.501 0.000 2.418 217 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.217 217 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.217 217 G C 1.307 176.056 174.900 -0.251 0.000 1.158 217 G CA 1.441 46.504 45.100 -0.063 0.000 0.771 217 G HN 0.557 nan 8.290 nan 0.000 0.545 218 D N 0.420 120.660 120.400 -0.266 0.000 2.092 218 D HA -0.151 4.488 4.640 -0.001 0.000 0.193 218 D C 2.619 178.738 176.300 -0.301 0.000 0.994 218 D CA 1.699 55.577 54.000 -0.204 0.000 0.828 218 D CB -0.502 40.261 40.800 -0.062 0.000 0.963 218 D HN 0.198 nan 8.370 nan 0.000 0.450 219 S N -1.249 114.103 115.700 -0.581 0.000 2.370 219 S HA -0.157 4.312 4.470 -0.001 0.000 0.226 219 S C 1.849 176.277 174.600 -0.288 0.000 1.033 219 S CA 1.442 59.021 58.200 -1.036 0.000 1.011 219 S CB -0.560 62.139 63.200 -0.836 0.000 0.852 219 S HN 0.431 nan 8.310 nan 0.000 0.457 220 W N 1.874 123.020 121.300 -0.257 0.000 2.355 220 W HA 0.114 4.774 4.660 -0.001 0.000 0.309 220 W C 2.625 179.180 176.519 0.059 0.000 1.206 220 W CA 0.380 57.705 57.345 -0.034 0.000 1.284 220 W CB -1.122 28.436 29.460 0.163 0.000 1.145 220 W HN 0.363 nan 8.180 nan 0.000 0.502 221 R N 0.489 121.126 120.500 0.227 0.000 2.152 221 R HA -0.125 4.214 4.340 -0.001 0.000 0.232 221 R C 2.263 178.710 176.300 0.245 0.000 1.117 221 R CA 1.733 57.942 56.100 0.182 0.000 0.981 221 R CB -0.881 29.314 30.300 -0.176 0.000 0.870 221 R HN 0.172 nan 8.270 nan 0.000 0.451 222 S N 0.698 116.478 115.700 0.134 0.000 2.469 222 S HA -0.128 4.341 4.470 -0.001 0.000 0.238 222 S C 1.920 176.650 174.600 0.216 0.000 0.998 222 S CA 0.875 59.188 58.200 0.189 0.000 0.957 222 S CB -0.201 63.125 63.200 0.209 0.000 0.764 222 S HN 0.246 nan 8.310 nan 0.000 0.514 223 M N -0.301 119.392 119.600 0.154 0.000 2.435 223 M HA -0.047 4.432 4.480 -0.001 0.000 0.262 223 M C 0.964 177.252 176.300 -0.019 0.000 1.065 223 M CA 1.352 56.653 55.300 0.003 0.000 1.076 223 M CB -0.510 31.981 32.600 -0.181 0.000 1.403 223 M HN 0.413 nan 8.290 nan 0.000 0.454 224 Y N 0.001 120.443 120.300 0.237 0.000 2.462 224 Y HA 0.077 4.626 4.550 -0.001 0.000 0.261 224 Y C 0.570 176.737 175.900 0.445 0.000 1.146 224 Y CA -0.088 58.213 58.100 0.334 0.000 1.283 224 Y CB 0.033 38.654 38.460 0.269 0.000 1.090 224 Y HN 0.246 nan 8.280 nan 0.000 0.526 225 E N 0.407 120.863 120.200 0.427 0.000 2.440 225 E HA -0.203 4.146 4.350 -0.001 0.000 0.246 225 E C -0.665 176.113 176.600 0.295 0.000 1.165 225 E CA 0.839 57.423 56.400 0.307 0.000 0.726 225 E CB -1.827 28.016 29.700 0.239 0.000 1.271 225 E HN 0.210 nan 8.360 nan 0.000 0.397 226 T N -0.214 114.550 114.554 0.350 0.000 3.009 226 T HA 0.275 4.624 4.350 -0.001 0.000 0.346 226 T C -1.881 172.943 174.700 0.207 0.000 1.092 226 T CA -1.259 61.027 62.100 0.310 0.000 1.080 226 T CB 1.578 70.743 68.868 0.495 0.000 1.037 226 T HN -0.157 nan 8.240 nan 0.000 0.487 227 P HA -0.106 nan 4.420 nan 0.000 0.219 227 P C 1.374 178.728 177.300 0.090 0.000 1.146 227 P CA 0.778 63.936 63.100 0.097 0.000 0.808 227 P CB 0.149 31.894 31.700 0.074 0.000 0.779 228 S N -2.108 113.662 115.700 0.116 0.000 2.634 228 S HA 0.087 4.556 4.470 -0.001 0.000 0.221 228 S C 1.517 176.199 174.600 0.135 0.000 0.952 228 S CA -0.352 57.917 58.200 0.115 0.000 0.930 228 S CB -1.092 62.180 63.200 0.121 0.000 0.780 228 S HN -0.082 nan 8.310 nan 0.000 0.498 229 L N 2.639 123.944 121.223 0.138 0.000 1.976 229 L HA -0.203 4.137 4.340 -0.001 0.000 0.223 229 L C 2.386 179.328 176.870 0.120 0.000 1.081 229 L CA 2.153 57.069 54.840 0.128 0.000 0.784 229 L CB -0.931 41.172 42.059 0.074 0.000 0.896 229 L HN 0.366 nan 8.230 nan 0.000 0.438 230 E N -1.134 119.110 120.200 0.074 0.000 2.070 230 E HA -0.304 4.046 4.350 -0.001 0.000 0.197 230 E C 2.141 178.840 176.600 0.165 0.000 1.004 230 E CA 1.828 58.303 56.400 0.125 0.000 0.805 230 E CB -0.208 29.524 29.700 0.053 0.000 0.744 230 E HN 0.687 nan 8.360 nan 0.000 0.451 231 Q N 0.360 120.240 119.800 0.135 0.000 2.119 231 Q HA -0.150 4.189 4.340 -0.001 0.000 0.201 231 Q C 1.805 177.902 176.000 0.162 0.000 0.972 231 Q CA 1.034 56.921 55.803 0.140 0.000 0.847 231 Q CB 0.056 28.861 28.738 0.113 0.000 0.903 231 Q HN 0.239 nan 8.270 nan 0.000 0.433 232 D N 0.945 121.448 120.400 0.172 0.000 2.104 232 D HA -0.146 4.493 4.640 -0.001 0.000 0.194 232 D C 1.997 178.434 176.300 0.229 0.000 0.994 232 D CA 1.040 55.158 54.000 0.197 0.000 0.830 232 D CB -0.180 40.753 40.800 0.222 0.000 0.959 232 D HN 0.208 nan 8.370 nan 0.000 0.452 233 L N 0.551 121.927 121.223 0.255 0.000 2.046 233 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 233 L C 2.490 179.508 176.870 0.247 0.000 1.077 233 L CA 1.052 56.091 54.840 0.332 0.000 0.747 233 L CB -0.434 41.800 42.059 0.290 0.000 0.896 233 L HN -0.016 nan 8.230 nan 0.000 0.432 234 E N 0.807 121.144 120.200 0.228 0.000 2.085 234 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 234 E C 2.265 178.960 176.600 0.158 0.000 0.994 234 E CA 1.500 58.001 56.400 0.168 0.000 0.801 234 E CB -0.021 29.808 29.700 0.215 0.000 0.743 234 E HN 0.219 nan 8.360 nan 0.000 0.453 235 R N -0.307 120.290 120.500 0.162 0.000 2.073 235 R HA -0.072 4.267 4.340 -0.001 0.000 0.234 235 R C 2.614 178.990 176.300 0.127 0.000 1.134 235 R CA 1.512 57.692 56.100 0.134 0.000 0.952 235 R CB -0.482 29.894 30.300 0.127 0.000 0.850 235 R HN 0.267 nan 8.270 nan 0.000 0.433 236 L N -0.370 120.959 121.223 0.177 0.000 2.046 236 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 236 L C 2.350 179.315 176.870 0.157 0.000 1.077 236 L CA 1.184 56.127 54.840 0.170 0.000 0.747 236 L CB -0.491 41.712 42.059 0.241 0.000 0.896 236 L HN 0.137 nan 8.230 nan 0.000 0.432 237 F N 0.719 120.696 119.950 0.045 0.000 2.095 237 F HA -0.258 4.268 4.527 -0.001 0.000 0.298 237 F C 2.710 178.457 175.800 -0.088 0.000 1.104 237 F CA 1.583 59.499 58.000 -0.139 0.000 1.232 237 F CB -0.233 38.284 39.000 -0.805 0.000 0.987 237 F HN 0.044 nan 8.300 nan 0.000 0.475 238 Q N 0.630 120.370 119.800 -0.100 0.000 2.124 238 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 238 Q C 2.156 178.066 176.000 -0.149 0.000 0.977 238 Q CA 1.890 57.614 55.803 -0.132 0.000 0.850 238 Q CB -0.609 28.151 28.738 0.036 0.000 0.901 238 Q HN 0.613 nan 8.270 nan 0.000 0.429 239 E N 0.035 120.184 120.200 -0.085 0.000 2.204 239 E HA -0.103 4.246 4.350 -0.001 0.000 0.195 239 E C 1.463 178.001 176.600 -0.103 0.000 0.990 239 E CA 0.467 56.830 56.400 -0.062 0.000 0.821 239 E CB 0.066 29.758 29.700 -0.015 0.000 0.750 239 E HN 0.202 nan 8.360 nan 0.000 0.477 240 L N 0.791 121.907 121.223 -0.178 0.000 2.592 240 L HA -0.019 4.321 4.340 -0.001 0.000 0.227 240 L C 2.085 178.835 176.870 -0.200 0.000 1.127 240 L CA -0.051 54.681 54.840 -0.182 0.000 0.884 240 L CB 0.191 42.136 42.059 -0.190 0.000 1.065 240 L HN 0.030 nan 8.230 nan 0.000 0.457 241 Q N 0.373 120.017 119.800 -0.261 0.000 2.020 241 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 241 Q C -0.256 175.711 176.000 -0.055 0.000 0.982 241 Q CA 1.802 57.490 55.803 -0.192 0.000 0.838 241 Q CB -1.337 27.275 28.738 -0.210 0.000 0.899 241 Q HN 0.338 nan 8.270 nan 0.000 0.423 242 P HA -0.179 nan 4.420 nan 0.000 0.216 242 P C 1.596 178.888 177.300 -0.012 0.000 1.157 242 P CA 0.963 64.045 63.100 -0.029 0.000 0.880 242 P CB -0.136 31.549 31.700 -0.026 0.000 0.791 243 L N -1.824 119.387 121.223 -0.020 0.000 1.994 243 L HA -0.182 4.157 4.340 -0.001 0.000 0.208 243 L C 2.401 179.275 176.870 0.005 0.000 1.071 243 L CA 1.846 56.670 54.840 -0.026 0.000 0.745 243 L CB -1.715 40.296 42.059 -0.081 0.000 0.892 243 L HN -0.061 nan 8.230 nan 0.000 0.431 244 Y N -0.367 119.883 120.300 -0.082 0.000 2.145 244 Y HA -0.232 4.317 4.550 -0.001 0.000 0.286 244 Y C 2.329 178.305 175.900 0.128 0.000 1.145 244 Y CA 1.851 59.942 58.100 -0.014 0.000 1.148 244 Y CB -0.419 38.027 38.460 -0.025 0.000 0.981 244 Y HN 0.169 nan 8.280 nan 0.000 0.507 245 L N 0.184 121.406 121.223 -0.001 0.000 2.079 245 L HA -0.286 4.053 4.340 -0.001 0.000 0.210 245 L C 2.282 179.166 176.870 0.023 0.000 1.081 245 L CA 1.516 56.341 54.840 -0.025 0.000 0.752 245 L CB -0.650 41.395 42.059 -0.025 0.000 0.896 245 L HN 0.340 nan 8.230 nan 0.000 0.433 246 N N -0.018 118.695 118.700 0.020 0.000 2.216 246 N HA -0.144 4.596 4.740 -0.001 0.000 0.183 246 N C 1.854 177.429 175.510 0.109 0.000 1.017 246 N CA 1.020 54.105 53.050 0.059 0.000 0.861 246 N CB -0.025 38.483 38.487 0.034 0.000 0.986 246 N HN 0.185 nan 8.380 nan 0.000 0.428 247 L N 1.470 122.731 121.223 0.064 0.000 2.056 247 L HA -0.136 4.203 4.340 -0.001 0.000 0.207 247 L C 2.396 179.411 176.870 0.242 0.000 1.078 247 L CA 1.752 56.676 54.840 0.139 0.000 0.749 247 L CB -1.023 41.060 42.059 0.040 0.000 0.901 247 L HN 0.269 nan 8.230 nan 0.000 0.433 248 H N -0.023 119.029 119.070 -0.030 0.000 2.290 248 H HA -0.179 4.376 4.556 -0.001 0.000 0.298 248 H C 1.908 177.318 175.328 0.137 0.000 1.087 248 H CA 1.960 58.055 56.048 0.078 0.000 1.291 248 H CB 0.005 29.685 29.762 -0.136 0.000 1.369 248 H HN 0.463 nan 8.280 nan 0.000 0.492 249 A N 0.286 123.294 122.820 0.313 0.000 1.933 249 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 249 A C 2.424 180.087 177.584 0.132 0.000 1.175 249 A CA 1.537 53.709 52.037 0.224 0.000 0.628 249 A CB -1.251 17.865 19.000 0.192 0.000 0.814 249 A HN 0.653 nan 8.150 nan 0.000 0.444 250 Y N 0.533 120.868 120.300 0.058 0.000 2.163 250 Y HA -0.138 4.411 4.550 -0.001 0.000 0.288 250 Y C 2.299 178.212 175.900 0.023 0.000 1.136 250 Y CA 1.874 60.000 58.100 0.044 0.000 1.147 250 Y CB -0.301 38.228 38.460 0.115 0.000 0.987 250 Y HN 0.057 nan 8.280 nan 0.000 0.509 251 V N 1.107 121.052 119.914 0.051 0.000 2.427 251 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 251 V C 2.522 178.491 176.094 -0.207 0.000 1.051 251 V CA 2.190 64.436 62.300 -0.090 0.000 1.048 251 V CB -0.776 31.066 31.823 0.031 0.000 0.666 251 V HN 0.355 nan 8.190 nan 0.000 0.456 252 R N 0.384 120.761 120.500 -0.205 0.000 2.081 252 R HA -0.239 4.100 4.340 -0.001 0.000 0.235 252 R C 2.468 178.704 176.300 -0.107 0.000 1.131 252 R CA 2.000 57.991 56.100 -0.181 0.000 0.960 252 R CB -0.246 29.963 30.300 -0.151 0.000 0.856 252 R HN 0.389 nan 8.270 nan 0.000 0.436 253 R N 0.632 121.040 120.500 -0.153 0.000 2.081 253 R HA -0.052 4.287 4.340 -0.001 0.000 0.235 253 R C 1.954 178.151 176.300 -0.171 0.000 1.131 253 R CA 1.991 57.978 56.100 -0.188 0.000 0.960 253 R CB -0.752 29.378 30.300 -0.283 0.000 0.856 253 R HN 0.330 nan 8.270 nan 0.000 0.436 254 A N 0.508 123.162 122.820 -0.276 0.000 1.902 254 A HA -0.070 4.249 4.320 -0.001 0.000 0.217 254 A C 2.291 179.824 177.584 -0.085 0.000 1.181 254 A CA 1.516 53.410 52.037 -0.238 0.000 0.623 254 A CB -0.595 18.203 19.000 -0.338 0.000 0.818 254 A HN 0.370 nan 8.150 nan 0.000 0.443 255 L N -1.375 119.823 121.223 -0.041 0.000 2.093 255 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 255 L C 2.718 179.690 176.870 0.171 0.000 1.085 255 L CA 1.477 56.382 54.840 0.108 0.000 0.755 255 L CB -0.723 41.375 42.059 0.065 0.000 0.904 255 L HN 0.611 nan 8.230 nan 0.000 0.435 256 H N 0.895 119.969 119.070 0.007 0.000 2.352 256 H HA -0.207 4.349 4.556 -0.001 0.000 0.299 256 H C 2.403 177.725 175.328 -0.010 0.000 1.097 256 H CA 1.908 57.961 56.048 0.008 0.000 1.311 256 H CB 0.155 29.894 29.762 -0.039 0.000 1.377 256 H HN 0.199 nan 8.280 nan 0.000 0.504 257 R N -1.093 119.467 120.500 0.101 0.000 2.081 257 R HA -0.166 4.173 4.340 -0.001 0.000 0.235 257 R C 2.425 178.688 176.300 -0.062 0.000 1.131 257 R CA 1.896 58.006 56.100 0.018 0.000 0.960 257 R CB -0.210 30.079 30.300 -0.017 0.000 0.856 257 R HN 0.418 nan 8.270 nan 0.000 0.436 258 H N -1.640 117.330 119.070 -0.166 0.000 2.370 258 H HA -0.007 4.549 4.556 -0.001 0.000 0.304 258 H C 0.901 176.000 175.328 -0.381 0.000 1.055 258 H CA 1.561 57.417 56.048 -0.321 0.000 1.373 258 H CB 0.127 29.593 29.762 -0.493 0.000 1.423 258 H HN 0.206 nan 8.280 nan 0.000 0.533 259 Y N 0.001 120.285 120.300 -0.026 0.000 2.466 259 Y HA 0.276 4.825 4.550 -0.001 0.000 0.272 259 Y C 0.955 176.831 175.900 -0.041 0.000 1.169 259 Y CA 0.209 58.288 58.100 -0.035 0.000 1.285 259 Y CB 0.760 39.280 38.460 0.100 0.000 1.078 259 Y HN 0.451 nan 8.280 nan 0.000 0.523 260 G N -0.124 108.648 108.800 -0.047 0.000 2.712 260 G HA2 0.013 3.972 3.960 -0.001 0.000 0.686 260 G HA3 0.013 3.972 3.960 -0.001 0.000 0.686 260 G C 0.543 175.235 174.900 -0.348 0.000 1.181 260 G CA -0.564 44.441 45.100 -0.158 0.000 0.762 260 G HN 0.348 nan 8.290 nan 0.000 0.641 261 A N 0.651 123.160 122.820 -0.518 0.000 2.019 261 A HA -0.017 4.302 4.320 -0.001 0.000 0.219 261 A C 2.221 179.653 177.584 -0.252 0.000 1.164 261 A CA 2.295 54.039 52.037 -0.488 0.000 0.644 261 A CB -0.234 18.648 19.000 -0.196 0.000 0.805 261 A HN 0.758 nan 8.150 nan 0.000 0.449 262 Q N -0.662 118.927 119.800 -0.352 0.000 2.436 262 Q HA -0.093 4.247 4.340 -0.001 0.000 0.209 262 Q C 0.717 176.323 176.000 -0.658 0.000 0.965 262 Q CA 0.957 56.464 55.803 -0.493 0.000 0.910 262 Q CB -0.122 28.238 28.738 -0.630 0.000 0.980 262 Q HN 0.858 nan 8.270 nan 0.000 0.491 263 H N -1.561 117.428 119.070 -0.136 0.000 2.986 263 H HA 0.265 4.820 4.556 -0.001 0.000 0.267 263 H C 0.154 175.465 175.328 -0.029 0.000 1.072 263 H CA -0.088 55.884 56.048 -0.127 0.000 1.202 263 H CB 1.717 31.335 29.762 -0.240 0.000 1.535 263 H HN -0.007 nan 8.280 nan 0.000 0.522 264 I N 2.175 122.782 120.570 0.061 0.000 2.478 264 I HA 0.112 4.281 4.170 -0.001 0.000 0.287 264 I C 0.023 176.234 176.117 0.158 0.000 1.042 264 I CA -0.765 60.603 61.300 0.113 0.000 1.067 264 I CB 1.962 40.054 38.000 0.153 0.000 1.233 264 I HN 0.001 nan 8.210 nan 0.000 0.431 265 N N 6.614 125.380 118.700 0.110 0.000 2.439 265 N HA 0.274 5.014 4.740 -0.001 0.000 0.249 265 N C 0.721 176.292 175.510 0.101 0.000 1.003 265 N CA -0.248 52.863 53.050 0.102 0.000 0.942 265 N CB 1.032 39.564 38.487 0.076 0.000 1.115 265 N HN 0.560 nan 8.380 nan 0.000 0.505 266 L N 2.205 123.469 121.223 0.068 0.000 2.549 266 L HA -0.053 4.286 4.340 -0.001 0.000 0.230 266 L C 1.040 177.945 176.870 0.060 0.000 1.162 266 L CA 1.033 55.876 54.840 0.006 0.000 0.834 266 L CB -0.034 41.949 42.059 -0.127 0.000 0.947 266 L HN 0.600 nan 8.230 nan 0.000 0.452 267 E N -1.026 119.226 120.200 0.087 0.000 2.583 267 E HA 0.187 4.536 4.350 -0.001 0.000 0.213 267 E C 0.782 177.490 176.600 0.180 0.000 0.989 267 E CA -0.134 56.334 56.400 0.113 0.000 0.991 267 E CB 0.879 30.622 29.700 0.072 0.000 1.040 267 E HN 0.390 nan 8.360 nan 0.000 0.481 268 G N 1.728 110.645 108.800 0.194 0.000 3.108 268 G HA2 0.418 4.377 3.960 -0.001 0.000 0.268 268 G HA3 0.418 4.377 3.960 -0.001 0.000 0.268 268 G C -2.761 172.289 174.900 0.251 0.000 1.361 268 G CA -1.261 43.977 45.100 0.230 0.000 1.047 268 G HN -0.186 nan 8.290 nan 0.000 0.540 269 P HA 0.314 nan 4.420 nan 0.000 0.274 269 P C -0.482 176.819 177.300 0.001 0.000 1.237 269 P CA -0.136 62.954 63.100 -0.018 0.000 0.793 269 P CB 1.441 33.046 31.700 -0.159 0.000 0.977 270 I N 2.316 122.859 120.570 -0.044 0.000 2.365 270 I HA 0.222 4.392 4.170 -0.001 0.000 0.291 270 I C -2.084 173.961 176.117 -0.120 0.000 1.004 270 I CA -2.768 58.457 61.300 -0.126 0.000 1.311 270 I CB 0.946 38.774 38.000 -0.286 0.000 1.401 270 I HN 0.096 nan 8.210 nan 0.000 0.491 271 P HA -0.027 nan 4.420 nan 0.000 0.264 271 P C 0.297 177.495 177.300 -0.170 0.000 1.193 271 P CA 0.093 63.116 63.100 -0.128 0.000 0.763 271 P CB 0.852 32.530 31.700 -0.036 0.000 0.810 272 A N 3.847 126.564 122.820 -0.172 0.000 2.225 272 A HA -0.182 4.137 4.320 -0.001 0.000 0.215 272 A C 1.351 178.816 177.584 -0.198 0.000 1.164 272 A CA 1.279 53.265 52.037 -0.086 0.000 0.710 272 A CB -1.122 18.015 19.000 0.228 0.000 0.780 272 A HN 0.713 nan 8.150 nan 0.000 0.473 273 H N -1.673 116.998 119.070 -0.666 0.000 2.586 273 H HA 0.309 4.864 4.556 -0.001 0.000 0.273 273 H C 0.896 175.978 175.328 -0.410 0.000 0.997 273 H CA -0.025 55.690 56.048 -0.556 0.000 1.177 273 H CB -0.668 28.648 29.762 -0.743 0.000 1.471 273 H HN 0.434 nan 8.280 nan 0.000 0.538 274 L N 0.850 121.661 121.223 -0.687 0.000 2.628 274 L HA 0.132 4.471 4.340 -0.001 0.000 0.229 274 L C 0.864 177.499 176.870 -0.391 0.000 1.137 274 L CA -0.098 54.349 54.840 -0.654 0.000 0.909 274 L CB 0.273 41.870 42.059 -0.771 0.000 1.137 274 L HN 0.109 nan 8.230 nan 0.000 0.470 275 L N 0.309 121.325 121.223 -0.345 0.000 2.611 275 L HA 0.299 4.638 4.340 -0.001 0.000 0.229 275 L C 1.583 178.394 176.870 -0.098 0.000 1.137 275 L CA 0.901 55.530 54.840 -0.351 0.000 0.901 275 L CB -1.013 40.671 42.059 -0.625 0.000 1.098 275 L HN 0.470 nan 8.230 nan 0.000 0.456 276 G N 0.822 109.578 108.800 -0.073 0.000 2.179 276 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.260 276 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.260 276 G C 0.361 175.274 174.900 0.022 0.000 0.977 276 G CA 0.428 45.526 45.100 -0.005 0.000 0.641 276 G HN 0.457 nan 8.290 nan 0.000 0.533 277 N N -0.645 118.072 118.700 0.028 0.000 2.235 277 N HA 0.428 5.167 4.740 -0.001 0.000 0.293 277 N C 1.209 176.667 175.510 -0.087 0.000 1.083 277 N CA -0.234 52.830 53.050 0.023 0.000 0.801 277 N CB 1.447 40.028 38.487 0.156 0.000 1.559 277 N HN -0.020 nan 8.380 nan 0.000 0.472 278 M N 2.592 121.963 119.600 -0.381 0.000 2.195 278 M HA 0.000 4.480 4.480 -0.001 0.000 0.260 278 M C 0.454 176.335 176.300 -0.699 0.000 1.066 278 M CA 1.768 56.609 55.300 -0.764 0.000 1.089 278 M CB -0.169 31.440 32.600 -1.652 0.000 1.377 278 M HN 0.628 nan 8.290 nan 0.000 0.411 279 W N -0.928 120.434 121.300 0.104 0.000 3.008 279 W HA 0.574 5.233 4.660 -0.001 0.000 0.355 279 W C 1.103 177.636 176.519 0.022 0.000 1.095 279 W CA 0.243 57.631 57.345 0.072 0.000 1.738 279 W CB -0.919 28.474 29.460 -0.112 0.000 1.091 279 W HN 0.393 nan 8.180 nan 0.000 0.574 280 A N 1.910 124.863 122.820 0.221 0.000 2.799 280 A HA -0.352 3.967 4.320 -0.001 0.000 0.287 280 A C 1.700 179.509 177.584 0.375 0.000 1.484 280 A CA 2.066 54.285 52.037 0.304 0.000 0.813 280 A CB -2.014 17.151 19.000 0.275 0.000 1.009 280 A HN 0.604 nan 8.150 nan 0.000 0.545 281 Q N -0.789 119.058 119.800 0.078 0.000 2.269 281 Q HA 0.111 4.450 4.340 -0.001 0.000 0.201 281 Q C 0.690 176.802 176.000 0.187 0.000 0.946 281 Q CA 1.384 57.105 55.803 -0.136 0.000 0.877 281 Q CB -0.181 28.191 28.738 -0.610 0.000 0.963 281 Q HN 1.238 nan 8.270 nan 0.000 0.472 282 T N -3.143 111.560 114.554 0.248 0.000 2.916 282 T HA 0.387 4.736 4.350 -0.001 0.000 0.298 282 T C -0.885 174.078 174.700 0.439 0.000 1.031 282 T CA -0.908 61.312 62.100 0.199 0.000 0.993 282 T CB 0.920 69.860 68.868 0.121 0.000 1.045 282 T HN 0.284 nan 8.240 nan 0.000 0.454 283 W N 1.404 122.779 121.300 0.124 0.000 2.991 283 W HA 0.250 4.910 4.660 -0.001 0.000 0.391 283 W C 1.950 178.530 176.519 0.102 0.000 1.054 283 W CA -0.676 56.731 57.345 0.103 0.000 1.856 283 W CB -1.141 28.389 29.460 0.117 0.000 1.132 283 W HN 0.931 nan 8.180 nan 0.000 0.601 284 S N 0.420 116.289 115.700 0.282 0.000 2.419 284 S HA -0.230 4.240 4.470 -0.001 0.000 0.235 284 S C 1.448 176.161 174.600 0.189 0.000 1.019 284 S CA 1.327 59.650 58.200 0.205 0.000 0.982 284 S CB -0.441 62.825 63.200 0.110 0.000 0.789 284 S HN 0.199 nan 8.310 nan 0.000 0.490 285 N N 2.128 120.923 118.700 0.159 0.000 2.512 285 N HA 0.062 4.801 4.740 -0.001 0.000 0.183 285 N C 1.333 176.907 175.510 0.107 0.000 1.073 285 N CA 1.243 54.361 53.050 0.114 0.000 0.911 285 N CB -0.314 38.218 38.487 0.075 0.000 0.964 285 N HN 0.836 nan 8.380 nan 0.000 0.447 286 I N -2.862 117.783 120.570 0.125 0.000 3.884 286 I HA 0.155 4.324 4.170 -0.001 0.000 0.330 286 I C 1.538 177.711 176.117 0.094 0.000 1.451 286 I CA -0.555 60.780 61.300 0.059 0.000 1.165 286 I CB -0.388 37.609 38.000 -0.005 0.000 1.097 286 I HN -0.210 nan 8.210 nan 0.000 0.404 287 Y N 3.593 123.925 120.300 0.053 0.000 2.193 287 Y HA -0.342 4.208 4.550 -0.001 0.000 0.285 287 Y C 2.308 178.229 175.900 0.035 0.000 1.166 287 Y CA 2.303 60.443 58.100 0.065 0.000 1.181 287 Y CB -0.207 38.293 38.460 0.065 0.000 0.976 287 Y HN 0.589 nan 8.280 nan 0.000 0.520 288 D N -0.137 120.239 120.400 -0.040 0.000 2.221 288 D HA -0.222 4.417 4.640 -0.001 0.000 0.204 288 D C 1.744 177.932 176.300 -0.188 0.000 0.982 288 D CA 1.581 55.504 54.000 -0.128 0.000 0.857 288 D CB -0.737 40.044 40.800 -0.031 0.000 0.934 288 D HN 0.519 nan 8.370 nan 0.000 0.475 289 L N 0.462 121.577 121.223 -0.180 0.000 2.509 289 L HA 0.046 4.385 4.340 -0.001 0.000 0.222 289 L C 1.941 178.703 176.870 -0.180 0.000 1.123 289 L CA 0.299 55.017 54.840 -0.202 0.000 0.856 289 L CB 0.395 42.305 42.059 -0.248 0.000 0.985 289 L HN 0.055 nan 8.230 nan 0.000 0.456 290 V N -4.521 115.287 119.914 -0.176 0.000 3.330 290 V HA 0.243 4.363 4.120 -0.001 0.000 0.309 290 V C 0.706 176.758 176.094 -0.070 0.000 1.481 290 V CA -0.487 61.754 62.300 -0.099 0.000 1.068 290 V CB 0.328 32.184 31.823 0.055 0.000 0.935 290 V HN -0.026 nan 8.190 nan 0.000 0.453 291 V N 3.780 123.481 119.914 -0.354 0.000 2.555 291 V HA 0.114 4.233 4.120 -0.001 0.000 0.299 291 V C -0.367 175.647 176.094 -0.133 0.000 1.012 291 V CA 0.251 62.290 62.300 -0.436 0.000 1.180 291 V CB 1.296 32.825 31.823 -0.489 0.000 0.887 291 V HN 0.408 nan 8.190 nan 0.000 0.476 292 P HA -0.044 nan 4.420 nan 0.000 0.215 292 P C -0.122 176.868 177.300 -0.518 0.000 1.157 292 P CA 1.469 64.370 63.100 -0.331 0.000 0.868 292 P CB 0.109 31.330 31.700 -0.798 0.000 0.788 293 F N -1.009 118.893 119.950 -0.079 0.000 2.453 293 F HA 0.311 4.837 4.527 -0.001 0.000 0.358 293 F C -1.569 174.197 175.800 -0.058 0.000 1.129 293 F CA -2.160 55.812 58.000 -0.047 0.000 1.200 293 F CB 1.147 40.092 39.000 -0.091 0.000 1.431 293 F HN -0.040 nan 8.300 nan 0.000 0.503 294 P HA -0.106 nan 4.420 nan 0.000 0.228 294 P C 1.108 178.439 177.300 0.052 0.000 1.151 294 P CA 0.979 64.096 63.100 0.029 0.000 0.770 294 P CB 0.392 32.090 31.700 -0.003 0.000 0.786 295 S N -0.421 115.331 115.700 0.087 0.000 2.527 295 S HA 0.158 4.627 4.470 -0.001 0.000 0.222 295 S C 1.361 175.982 174.600 0.035 0.000 0.985 295 S CA 0.364 58.606 58.200 0.071 0.000 0.921 295 S CB -0.200 63.057 63.200 0.096 0.000 0.772 295 S HN 0.207 nan 8.310 nan 0.000 0.529 296 A N 3.320 126.130 122.820 -0.015 0.000 2.937 296 A HA 0.467 4.786 4.320 -0.001 0.000 0.338 296 A C -2.511 174.998 177.584 -0.124 0.000 1.273 296 A CA -1.610 50.303 52.037 -0.205 0.000 0.937 296 A CB 0.093 18.741 19.000 -0.587 0.000 1.133 296 A HN 0.163 nan 8.150 nan 0.000 0.491 297 P HA 0.270 nan 4.420 nan 0.000 0.274 297 P C -0.157 177.245 177.300 0.170 0.000 1.231 297 P CA 0.168 63.329 63.100 0.101 0.000 0.790 297 P CB 1.430 33.184 31.700 0.089 0.000 0.951 298 S N 1.713 117.514 115.700 0.169 0.000 2.542 298 S HA 0.533 5.002 4.470 -0.001 0.000 0.293 298 S C 0.244 174.907 174.600 0.106 0.000 1.089 298 S CA -0.984 57.313 58.200 0.162 0.000 0.961 298 S CB 0.966 64.268 63.200 0.170 0.000 1.062 298 S HN 0.343 nan 8.310 nan 0.000 0.483 299 M N 2.232 121.876 119.600 0.072 0.000 2.247 299 M HA 0.020 4.499 4.480 -0.001 0.000 0.318 299 M C 0.214 176.529 176.300 0.025 0.000 1.054 299 M CA 0.386 55.709 55.300 0.039 0.000 1.117 299 M CB 0.059 32.666 32.600 0.012 0.000 1.515 299 M HN 0.772 nan 8.290 nan 0.000 0.442 300 D N 2.033 122.443 120.400 0.015 0.000 2.455 300 D HA 0.042 4.681 4.640 -0.001 0.000 0.234 300 D C 0.740 177.021 176.300 -0.033 0.000 1.224 300 D CA 0.132 54.135 54.000 0.005 0.000 0.999 300 D CB 0.469 41.275 40.800 0.010 0.000 1.072 300 D HN 0.548 nan 8.370 nan 0.000 0.514 301 T N 1.934 116.458 114.554 -0.051 0.000 2.620 301 T HA -0.216 4.134 4.350 -0.001 0.000 0.267 301 T C 1.747 176.364 174.700 -0.138 0.000 1.044 301 T CA 2.032 64.068 62.100 -0.107 0.000 1.161 301 T CB -0.221 68.581 68.868 -0.111 0.000 0.862 301 T HN 0.420 nan 8.240 nan 0.000 0.438 302 T N 1.167 115.665 114.554 -0.094 0.000 2.708 302 T HA -0.065 4.284 4.350 -0.001 0.000 0.266 302 T C 2.536 177.196 174.700 -0.066 0.000 1.037 302 T CA 1.818 63.867 62.100 -0.085 0.000 1.146 302 T CB -0.674 68.169 68.868 -0.041 0.000 0.865 302 T HN 0.707 nan 8.240 nan 0.000 0.435 303 E N 1.297 121.473 120.200 -0.039 0.000 2.085 303 E HA -0.061 4.288 4.350 -0.001 0.000 0.194 303 E C 2.346 178.929 176.600 -0.029 0.000 0.994 303 E CA 1.710 58.098 56.400 -0.019 0.000 0.801 303 E CB -1.187 28.509 29.700 -0.006 0.000 0.743 303 E HN 0.630 nan 8.360 nan 0.000 0.453 304 A N 0.345 123.129 122.820 -0.061 0.000 1.858 304 A HA -0.107 4.212 4.320 -0.001 0.000 0.216 304 A C 2.589 180.116 177.584 -0.095 0.000 1.190 304 A CA 2.195 54.189 52.037 -0.072 0.000 0.617 304 A CB -0.478 18.456 19.000 -0.110 0.000 0.827 304 A HN 0.540 nan 8.150 nan 0.000 0.443 305 M N -0.671 118.786 119.600 -0.238 0.000 2.073 305 M HA -0.190 4.289 4.480 -0.001 0.000 0.258 305 M C 2.206 178.535 176.300 0.049 0.000 1.070 305 M CA 1.746 56.829 55.300 -0.361 0.000 1.103 305 M CB -0.659 31.675 32.600 -0.443 0.000 1.321 305 M HN 0.383 nan 8.290 nan 0.000 0.405 306 L N 0.229 121.471 121.223 0.032 0.000 2.083 306 L HA -0.207 4.132 4.340 -0.001 0.000 0.209 306 L C 3.161 180.086 176.870 0.091 0.000 1.083 306 L CA 1.690 56.579 54.840 0.081 0.000 0.752 306 L CB -1.196 40.889 42.059 0.045 0.000 0.899 306 L HN 0.341 nan 8.230 nan 0.000 0.433 307 K N 0.703 121.141 120.400 0.064 0.000 2.063 307 K HA -0.184 4.135 4.320 -0.001 0.000 0.208 307 K C 1.635 178.292 176.600 0.096 0.000 1.048 307 K CA 1.774 58.098 56.287 0.062 0.000 0.928 307 K CB -0.976 31.546 32.500 0.037 0.000 0.713 307 K HN 0.686 nan 8.250 nan 0.000 0.442 308 Q N -0.739 119.159 119.800 0.163 0.000 2.242 308 Q HA 0.361 4.700 4.340 -0.001 0.000 0.246 308 Q C 0.630 176.761 176.000 0.220 0.000 0.883 308 Q CA -0.127 55.794 55.803 0.196 0.000 0.984 308 Q CB -0.263 28.623 28.738 0.248 0.000 1.096 308 Q HN 0.553 nan 8.270 nan 0.000 0.452 309 G N 1.297 110.207 108.800 0.183 0.000 2.366 309 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.299 309 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.299 309 G C -0.682 174.314 174.900 0.160 0.000 1.020 309 G CA -0.202 44.981 45.100 0.139 0.000 1.026 309 G HN 0.478 nan 8.290 nan 0.000 0.512 310 W N 0.215 121.530 121.300 0.026 0.000 2.218 310 W HA 0.557 5.217 4.660 -0.001 0.000 0.326 310 W C 1.173 177.724 176.519 0.053 0.000 1.276 310 W CA 0.584 57.952 57.345 0.038 0.000 1.210 310 W CB 1.017 30.500 29.460 0.038 0.000 1.143 310 W HN 0.539 nan 8.180 nan 0.000 0.563 311 T N 0.112 114.798 114.554 0.220 0.000 2.916 311 T HA 0.410 4.759 4.350 -0.001 0.000 0.292 311 T C -2.249 172.599 174.700 0.246 0.000 1.064 311 T CA -2.164 60.049 62.100 0.189 0.000 1.011 311 T CB 2.169 71.103 68.868 0.111 0.000 1.152 311 T HN -0.004 nan 8.240 nan 0.000 0.510 312 P HA -0.108 nan 4.420 nan 0.000 0.215 312 P C 1.647 179.238 177.300 0.485 0.000 1.157 312 P CA 1.069 64.384 63.100 0.358 0.000 0.874 312 P CB 0.071 31.957 31.700 0.310 0.000 0.790 313 R N -0.491 120.224 120.500 0.358 0.000 2.091 313 R HA -0.149 4.190 4.340 -0.001 0.000 0.238 313 R C 2.427 178.928 176.300 0.335 0.000 1.136 313 R CA 1.321 57.658 56.100 0.394 0.000 0.959 313 R CB -0.452 29.977 30.300 0.215 0.000 0.856 313 R HN -0.126 nan 8.270 nan 0.000 0.437 314 R N 0.583 121.186 120.500 0.171 0.000 2.081 314 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 314 R C 2.131 178.507 176.300 0.127 0.000 1.131 314 R CA 2.063 58.169 56.100 0.011 0.000 0.960 314 R CB -0.514 29.669 30.300 -0.195 0.000 0.856 314 R HN 0.377 nan 8.270 nan 0.000 0.436 315 M N -0.898 118.875 119.600 0.288 0.000 2.080 315 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 315 M C 2.043 178.426 176.300 0.138 0.000 1.068 315 M CA 1.816 57.291 55.300 0.293 0.000 1.109 315 M CB -0.429 32.292 32.600 0.203 0.000 1.342 315 M HN -0.006 nan 8.290 nan 0.000 0.405 316 F N 0.208 120.344 119.950 0.310 0.000 2.259 316 F HA -0.128 4.398 4.527 -0.001 0.000 0.298 316 F C 2.426 178.504 175.800 0.462 0.000 1.088 316 F CA 0.982 59.192 58.000 0.350 0.000 1.358 316 F CB -0.380 38.890 39.000 0.449 0.000 1.040 316 F HN -0.056 nan 8.300 nan 0.000 0.505 317 K N 0.543 121.300 120.400 0.594 0.000 2.026 317 K HA -0.143 4.176 4.320 -0.001 0.000 0.208 317 K C 1.973 178.728 176.600 0.259 0.000 1.048 317 K CA 1.223 57.729 56.287 0.364 0.000 0.929 317 K CB -0.560 31.959 32.500 0.032 0.000 0.713 317 K HN 0.229 nan 8.250 nan 0.000 0.439 318 E N 0.494 120.817 120.200 0.205 0.000 2.085 318 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 318 E C 1.956 178.722 176.600 0.276 0.000 0.994 318 E CA 1.213 57.756 56.400 0.239 0.000 0.801 318 E CB -0.200 29.696 29.700 0.327 0.000 0.743 318 E HN 0.276 nan 8.360 nan 0.000 0.453 319 A N 1.456 124.327 122.820 0.084 0.000 1.898 319 A HA -0.218 4.101 4.320 -0.001 0.000 0.216 319 A C 2.023 179.789 177.584 0.304 0.000 1.181 319 A CA 1.883 53.853 52.037 -0.111 0.000 0.620 319 A CB -0.628 18.076 19.000 -0.495 0.000 0.819 319 A HN 0.224 nan 8.150 nan 0.000 0.442 320 D N -0.234 120.351 120.400 0.310 0.000 2.149 320 D HA -0.214 4.426 4.640 -0.001 0.000 0.198 320 D C 1.593 178.087 176.300 0.323 0.000 0.990 320 D CA 1.714 55.907 54.000 0.322 0.000 0.839 320 D CB -0.230 40.806 40.800 0.393 0.000 0.948 320 D HN 0.517 nan 8.370 nan 0.000 0.460 321 D N -1.575 119.003 120.400 0.298 0.000 2.144 321 D HA -0.167 4.472 4.640 -0.001 0.000 0.200 321 D C 1.872 178.355 176.300 0.305 0.000 0.978 321 D CA 0.728 54.883 54.000 0.259 0.000 0.833 321 D CB -0.368 40.572 40.800 0.233 0.000 0.961 321 D HN 0.327 nan 8.370 nan 0.000 0.470 322 F N -0.670 119.437 119.950 0.262 0.000 2.102 322 F HA -0.101 4.426 4.527 -0.001 0.000 0.298 322 F C 1.722 177.513 175.800 -0.015 0.000 1.105 322 F CA 1.080 59.199 58.000 0.198 0.000 1.239 322 F CB -0.140 38.943 39.000 0.137 0.000 0.991 322 F HN -0.043 nan 8.300 nan 0.000 0.474 323 F N 0.450 120.593 119.950 0.322 0.000 2.102 323 F HA -0.260 4.267 4.527 -0.001 0.000 0.298 323 F C 2.800 178.632 175.800 0.053 0.000 1.105 323 F CA 1.959 60.045 58.000 0.143 0.000 1.239 323 F CB -1.185 37.835 39.000 0.032 0.000 0.991 323 F HN 0.011 nan 8.300 nan 0.000 0.474 324 T N -2.617 112.070 114.554 0.222 0.000 2.821 324 T HA -0.198 4.151 4.350 -0.001 0.000 0.267 324 T C 2.151 176.843 174.700 -0.014 0.000 1.046 324 T CA 1.185 63.340 62.100 0.092 0.000 1.139 324 T CB -1.040 67.879 68.868 0.084 0.000 0.871 324 T HN 0.338 nan 8.240 nan 0.000 0.454 325 S N 2.128 117.770 115.700 -0.096 0.000 2.419 325 S HA 0.006 4.476 4.470 -0.001 0.000 0.235 325 S C 1.898 176.323 174.600 -0.292 0.000 1.019 325 S CA 0.829 58.829 58.200 -0.334 0.000 0.982 325 S CB -0.969 61.716 63.200 -0.858 0.000 0.789 325 S HN 0.594 nan 8.310 nan 0.000 0.490 326 L N 0.743 121.872 121.223 -0.157 0.000 2.591 326 L HA 0.314 4.654 4.340 -0.001 0.000 0.228 326 L C 1.941 178.777 176.870 -0.057 0.000 1.133 326 L CA 0.374 55.154 54.840 -0.100 0.000 0.880 326 L CB -0.717 41.325 42.059 -0.028 0.000 1.033 326 L HN 0.629 nan 8.230 nan 0.000 0.450 327 G N 0.144 108.917 108.800 -0.045 0.000 2.175 327 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.244 327 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.244 327 G C 0.301 175.200 174.900 -0.001 0.000 0.982 327 G CA -0.138 44.946 45.100 -0.027 0.000 0.641 327 G HN 0.206 nan 8.290 nan 0.000 0.527 328 L N 0.181 121.424 121.223 0.033 0.000 2.479 328 L HA 0.549 4.888 4.340 -0.001 0.000 0.248 328 L C 1.425 178.313 176.870 0.030 0.000 1.205 328 L CA -0.916 53.954 54.840 0.049 0.000 0.817 328 L CB 0.286 42.436 42.059 0.152 0.000 1.162 328 L HN 0.047 nan 8.230 nan 0.000 0.486 329 L N 2.123 123.332 121.223 -0.023 0.000 2.397 329 L HA 0.298 4.637 4.340 -0.001 0.000 0.271 329 L C -2.060 174.769 176.870 -0.068 0.000 1.148 329 L CA -1.645 53.163 54.840 -0.053 0.000 0.825 329 L CB 0.398 42.396 42.059 -0.101 0.000 1.117 329 L HN 0.352 nan 8.230 nan 0.000 0.456 330 P HA 0.171 nan 4.420 nan 0.000 0.282 330 P C -0.693 176.563 177.300 -0.073 0.000 1.259 330 P CA -0.467 62.630 63.100 -0.005 0.000 0.826 330 P CB 1.607 33.346 31.700 0.064 0.000 1.064 331 V N -1.094 118.740 119.914 -0.134 0.000 2.811 331 V HA 0.309 4.428 4.120 -0.001 0.000 0.302 331 V C -2.360 173.736 176.094 0.002 0.000 1.063 331 V CA -1.886 60.254 62.300 -0.267 0.000 1.088 331 V CB -0.831 30.472 31.823 -0.867 0.000 0.982 331 V HN 0.421 nan 8.190 nan 0.000 0.485 332 P HA 0.263 nan 4.420 nan 0.000 0.270 332 P C -2.204 175.248 177.300 0.254 0.000 1.223 332 P CA -1.271 61.927 63.100 0.164 0.000 0.785 332 P CB -0.100 31.712 31.700 0.186 0.000 0.923 333 P HA -0.190 nan 4.420 nan 0.000 0.216 333 P C 1.392 178.850 177.300 0.264 0.000 1.150 333 P CA 1.314 64.609 63.100 0.325 0.000 0.837 333 P CB -0.029 31.777 31.700 0.177 0.000 0.786 334 E N -1.426 118.854 120.200 0.135 0.000 2.130 334 E HA -0.236 4.113 4.350 -0.001 0.000 0.196 334 E C 1.749 178.342 176.600 -0.012 0.000 0.998 334 E CA 0.792 57.206 56.400 0.023 0.000 0.806 334 E CB -0.525 29.149 29.700 -0.043 0.000 0.738 334 E HN 0.151 nan 8.360 nan 0.000 0.459 335 F N -0.105 119.765 119.950 -0.133 0.000 2.065 335 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 335 F C 1.479 177.083 175.800 -0.328 0.000 1.112 335 F CA 1.995 59.819 58.000 -0.294 0.000 1.212 335 F CB -0.588 38.138 39.000 -0.457 0.000 0.975 335 F HN 0.086 nan 8.300 nan 0.000 0.476 336 W N 0.455 121.775 121.300 0.034 0.000 2.421 336 W HA -0.125 4.534 4.660 -0.001 0.000 0.270 336 W C 2.438 178.859 176.519 -0.164 0.000 1.233 336 W CA 0.949 58.236 57.345 -0.096 0.000 1.226 336 W CB -0.687 28.823 29.460 0.084 0.000 1.121 336 W HN 0.133 nan 8.180 nan 0.000 0.579 337 N N 0.698 119.416 118.700 0.030 0.000 2.368 337 N HA -0.063 4.677 4.740 -0.001 0.000 0.176 337 N C 1.247 176.682 175.510 -0.126 0.000 1.021 337 N CA 0.985 54.018 53.050 -0.028 0.000 0.888 337 N CB 0.110 38.588 38.487 -0.014 0.000 0.995 337 N HN 0.212 nan 8.380 nan 0.000 0.437 338 K N -0.102 120.154 120.400 -0.240 0.000 2.354 338 K HA 0.214 4.533 4.320 -0.001 0.000 0.194 338 K C 0.463 176.888 176.600 -0.292 0.000 1.045 338 K CA -0.159 55.943 56.287 -0.309 0.000 1.026 338 K CB 0.600 32.801 32.500 -0.497 0.000 0.866 338 K HN -0.072 nan 8.250 nan 0.000 0.530 339 S N 1.354 116.810 115.700 -0.405 0.000 2.579 339 S HA 0.125 4.594 4.470 -0.001 0.000 0.275 339 S C -0.034 174.502 174.600 -0.107 0.000 1.345 339 S CA -0.168 57.837 58.200 -0.326 0.000 1.031 339 S CB 0.656 63.330 63.200 -0.877 0.000 0.892 339 S HN 0.196 nan 8.310 nan 0.000 0.529 340 M N 3.904 123.510 119.600 0.010 0.000 2.131 340 M HA 0.312 4.792 4.480 -0.001 0.000 0.345 340 M C -0.666 175.565 176.300 -0.115 0.000 1.060 340 M CA -0.316 54.949 55.300 -0.060 0.000 1.011 340 M CB -0.262 32.260 32.600 -0.131 0.000 1.328 340 M HN 0.611 nan 8.290 nan 0.000 0.396 341 L N 2.373 123.508 121.223 -0.146 0.000 2.592 341 L HA 0.272 4.611 4.340 -0.001 0.000 0.227 341 L C 0.132 177.020 176.870 0.031 0.000 1.127 341 L CA 0.424 55.176 54.840 -0.146 0.000 0.884 341 L CB -0.070 41.846 42.059 -0.237 0.000 1.065 341 L HN 0.641 nan 8.230 nan 0.000 0.457 342 E N -0.137 120.071 120.200 0.013 0.000 2.408 342 E HA 0.257 4.606 4.350 -0.001 0.000 0.275 342 E C -1.009 175.594 176.600 0.005 0.000 0.935 342 E CA -0.917 55.507 56.400 0.039 0.000 0.775 342 E CB 2.415 32.143 29.700 0.047 0.000 1.277 342 E HN -0.096 nan 8.360 nan 0.000 0.455 343 K N 2.484 122.892 120.400 0.013 0.000 2.383 343 K HA 0.188 4.508 4.320 -0.001 0.000 0.286 343 K C -2.328 174.264 176.600 -0.014 0.000 1.051 343 K CA -1.343 54.939 56.287 -0.008 0.000 0.974 343 K CB 0.196 32.698 32.500 0.003 0.000 0.968 343 K HN 0.111 nan 8.250 nan 0.000 0.475 344 P HA -0.064 nan 4.420 nan 0.000 0.267 344 P C -0.089 177.200 177.300 -0.018 0.000 1.201 344 P CA 0.115 63.197 63.100 -0.032 0.000 0.775 344 P CB 0.638 32.305 31.700 -0.054 0.000 0.854 345 T N -4.176 110.372 114.554 -0.011 0.000 3.040 345 T HA 0.082 4.431 4.350 -0.001 0.000 0.266 345 T C 0.870 175.566 174.700 -0.006 0.000 1.005 345 T CA -0.180 61.917 62.100 -0.004 0.000 0.906 345 T CB -0.303 68.567 68.868 0.003 0.000 1.082 345 T HN 0.180 nan 8.240 nan 0.000 0.531 346 D N 2.054 122.446 120.400 -0.013 0.000 2.351 346 D HA 0.032 4.671 4.640 -0.001 0.000 0.216 346 D C 1.894 178.187 176.300 -0.011 0.000 0.968 346 D CA 1.586 55.579 54.000 -0.013 0.000 0.899 346 D CB -0.199 40.588 40.800 -0.021 0.000 0.907 346 D HN 0.725 nan 8.370 nan 0.000 0.514 347 G N 1.002 109.796 108.800 -0.011 0.000 2.213 347 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.236 347 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.236 347 G C 0.473 175.364 174.900 -0.015 0.000 0.991 347 G CA -0.213 44.882 45.100 -0.008 0.000 0.629 347 G HN 0.273 nan 8.290 nan 0.000 0.517 348 R N 0.767 121.251 120.500 -0.027 0.000 2.697 348 R HA 0.337 4.676 4.340 -0.001 0.000 0.265 348 R C 0.168 176.439 176.300 -0.048 0.000 1.009 348 R CA 0.436 56.510 56.100 -0.043 0.000 1.099 348 R CB 0.343 30.605 30.300 -0.063 0.000 0.965 348 R HN 0.346 nan 8.270 nan 0.000 0.428 349 E N 1.915 122.079 120.200 -0.059 0.000 2.191 349 E HA 0.369 4.718 4.350 -0.001 0.000 0.278 349 E C -1.131 175.402 176.600 -0.112 0.000 0.972 349 E CA -0.660 55.705 56.400 -0.059 0.000 0.804 349 E CB 1.406 31.081 29.700 -0.041 0.000 1.110 349 E HN 0.357 nan 8.360 nan 0.000 0.394 350 V N 0.517 120.369 119.914 -0.103 0.000 3.202 350 V HA 0.585 4.705 4.120 -0.001 0.000 0.306 350 V C -0.968 175.073 176.094 -0.089 0.000 1.283 350 V CA -1.078 61.127 62.300 -0.157 0.000 1.065 350 V CB 1.870 33.591 31.823 -0.170 0.000 1.079 350 V HN 0.321 nan 8.190 nan 0.000 0.448 351 V N 1.262 121.116 119.914 -0.099 0.000 2.356 351 V HA 0.145 4.265 4.120 -0.001 0.000 0.258 351 V C 1.182 177.300 176.094 0.039 0.000 1.065 351 V CA 0.217 62.546 62.300 0.048 0.000 0.935 351 V CB -0.036 31.855 31.823 0.114 0.000 1.061 351 V HN 1.110 nan 8.190 nan 0.000 0.484 352 c N 3.158 121.795 118.600 0.062 0.000 2.446 352 c HA -0.018 4.551 4.570 -0.001 0.000 0.279 352 c C 1.560 175.650 174.090 -0.000 0.000 1.366 352 c CA 0.108 56.453 56.329 0.026 0.000 1.763 352 c CB -1.142 41.388 42.510 0.032 0.000 1.929 352 c HN 0.926 nan 8.230 nan 0.000 0.509 353 H N 0.850 119.827 119.070 -0.155 0.000 3.125 353 H HA 0.321 4.876 4.556 -0.001 0.000 0.310 353 H C 0.610 175.822 175.328 -0.193 0.000 0.980 353 H CA 0.531 56.353 56.048 -0.376 0.000 1.422 353 H CB 0.377 29.395 29.762 -1.241 0.000 1.432 353 H HN 0.462 nan 8.280 nan 0.000 0.577 354 A N 4.407 126.954 122.820 -0.455 0.000 2.565 354 A HA 0.401 4.720 4.320 -0.001 0.000 0.237 354 A C -0.093 177.513 177.584 0.037 0.000 1.053 354 A CA 0.633 52.597 52.037 -0.121 0.000 0.755 354 A CB -0.181 18.768 19.000 -0.086 0.000 0.980 354 A HN 0.912 nan 8.150 nan 0.000 0.506 355 S N 0.293 116.136 115.700 0.239 0.000 2.543 355 S HA 0.732 5.202 4.470 -0.001 0.000 0.274 355 S C -0.692 174.192 174.600 0.474 0.000 1.149 355 S CA -0.203 58.178 58.200 0.302 0.000 0.866 355 S CB 1.174 64.535 63.200 0.269 0.000 1.111 355 S HN 2.138 nan 8.310 nan 0.000 0.457 356 A N 1.195 124.229 122.820 0.357 0.000 2.337 356 A HA 0.806 5.125 4.320 -0.001 0.000 0.329 356 A C -1.561 176.371 177.584 0.580 0.000 1.146 356 A CA -0.700 51.667 52.037 0.549 0.000 0.800 356 A CB 0.403 19.626 19.000 0.372 0.000 1.220 356 A HN 0.738 nan 8.150 nan 0.000 0.472 357 W N 0.784 122.392 121.300 0.513 0.000 2.702 357 W HA 0.515 5.174 4.660 -0.001 0.000 0.331 357 W C -0.679 175.855 176.519 0.024 0.000 1.049 357 W CA -0.376 57.105 57.345 0.228 0.000 1.230 357 W CB 1.711 31.307 29.460 0.227 0.000 1.408 357 W HN 0.629 nan 8.180 nan 0.000 0.492 358 D N 2.010 122.121 120.400 -0.481 0.000 2.381 358 D HA 0.244 4.883 4.640 -0.001 0.000 0.235 358 D C -0.356 175.517 176.300 -0.712 0.000 1.068 358 D CA -0.585 52.933 54.000 -0.802 0.000 0.832 358 D CB 0.787 40.602 40.800 -1.642 0.000 1.101 358 D HN 0.161 nan 8.370 nan 0.000 0.515 359 F N 2.897 122.562 119.950 -0.476 0.000 2.693 359 F HA 0.127 4.653 4.527 -0.001 0.000 0.303 359 F C 0.429 176.185 175.800 -0.073 0.000 1.143 359 F CA -0.398 57.469 58.000 -0.222 0.000 1.389 359 F CB -0.837 38.039 39.000 -0.206 0.000 1.060 359 F HN 0.384 nan 8.300 nan 0.000 0.535 360 Y N 0.239 120.560 120.300 0.034 0.000 3.225 360 Y HA -0.334 4.216 4.550 -0.001 0.000 0.211 360 Y C 0.994 176.901 175.900 0.012 0.000 1.223 360 Y CA 0.419 58.555 58.100 0.061 0.000 1.284 360 Y CB -2.296 36.249 38.460 0.142 0.000 1.367 360 Y HN 0.406 nan 8.280 nan 0.000 0.566 361 N N -1.027 117.686 118.700 0.022 0.000 2.184 361 N HA 0.271 5.010 4.740 -0.001 0.000 0.234 361 N C 1.161 176.644 175.510 -0.045 0.000 1.282 361 N CA 0.346 53.391 53.050 -0.008 0.000 0.877 361 N CB 0.468 38.933 38.487 -0.036 0.000 1.184 361 N HN 0.554 nan 8.380 nan 0.000 0.510 362 G N 0.787 109.562 108.800 -0.041 0.000 2.200 362 G HA2 -0.386 3.574 3.960 -0.001 0.000 0.267 362 G HA3 -0.386 3.574 3.960 -0.001 0.000 0.267 362 G C 0.881 175.797 174.900 0.026 0.000 0.993 362 G CA 1.387 46.547 45.100 0.100 0.000 0.701 362 G HN 0.518 nan 8.290 nan 0.000 0.524 363 K N -0.781 119.434 120.400 -0.308 0.000 2.556 363 K HA 0.196 4.515 4.320 -0.001 0.000 0.201 363 K C 0.151 176.466 176.600 -0.475 0.000 1.423 363 K CA 0.415 56.573 56.287 -0.216 0.000 1.010 363 K CB 0.475 32.906 32.500 -0.115 0.000 1.409 363 K HN 0.159 nan 8.250 nan 0.000 0.538 364 D N 0.505 120.476 120.400 -0.715 0.000 2.359 364 D HA 0.251 4.890 4.640 -0.001 0.000 0.230 364 D C -1.265 174.564 176.300 -0.786 0.000 1.118 364 D CA -0.254 53.346 54.000 -0.667 0.000 0.844 364 D CB 0.144 40.563 40.800 -0.635 0.000 1.059 364 D HN -0.080 nan 8.370 nan 0.000 0.493 365 F N 2.827 122.773 119.950 -0.007 0.000 2.556 365 F HA 0.571 5.097 4.527 -0.001 0.000 0.314 365 F C 0.616 176.533 175.800 0.196 0.000 1.106 365 F CA -0.975 57.141 58.000 0.193 0.000 0.911 365 F CB 1.815 40.960 39.000 0.240 0.000 1.190 365 F HN -0.012 nan 8.300 nan 0.000 0.448 366 R N 2.479 123.260 120.500 0.469 0.000 2.764 366 R HA 0.758 5.097 4.340 -0.001 0.000 0.270 366 R C -1.743 174.832 176.300 0.459 0.000 1.014 366 R CA -1.078 55.148 56.100 0.211 0.000 0.904 366 R CB 2.908 33.003 30.300 -0.342 0.000 1.236 366 R HN 0.578 nan 8.270 nan 0.000 0.466 367 I N 1.227 121.945 120.570 0.248 0.000 2.465 367 I HA 0.332 4.501 4.170 -0.001 0.000 0.291 367 I C -0.604 175.647 176.117 0.223 0.000 1.014 367 I CA -0.713 60.789 61.300 0.337 0.000 1.093 367 I CB 2.157 40.300 38.000 0.239 0.000 1.267 367 I HN 0.369 nan 8.210 nan 0.000 0.431 368 K N 7.169 127.752 120.400 0.304 0.000 2.449 368 K HA 0.468 4.788 4.320 -0.001 0.000 0.257 368 K C -1.227 175.435 176.600 0.104 0.000 0.989 368 K CA -0.417 55.917 56.287 0.079 0.000 0.916 368 K CB 1.272 33.709 32.500 -0.105 0.000 1.136 368 K HN 0.667 nan 8.250 nan 0.000 0.439 369 Q N 3.995 123.827 119.800 0.053 0.000 2.295 369 Q HA 0.250 4.589 4.340 -0.001 0.000 0.268 369 Q C -1.509 174.533 176.000 0.070 0.000 1.010 369 Q CA -0.759 55.100 55.803 0.093 0.000 0.856 369 Q CB 1.716 30.592 28.738 0.231 0.000 1.349 369 Q HN 0.769 nan 8.270 nan 0.000 0.412 370 c N 3.788 122.414 118.600 0.045 0.000 2.615 370 c HA 0.256 4.826 4.570 -0.001 0.000 0.503 370 c C 0.404 174.541 174.090 0.077 0.000 1.039 370 c CA -0.292 56.063 56.329 0.042 0.000 1.226 370 c CB -1.763 40.757 42.510 0.017 0.000 1.447 370 c HN 0.595 nan 8.230 nan 0.000 0.572 371 T N 2.506 117.142 114.554 0.136 0.000 2.928 371 T HA 0.164 4.513 4.350 -0.001 0.000 0.305 371 T C 0.587 175.364 174.700 0.128 0.000 1.035 371 T CA 0.666 62.871 62.100 0.176 0.000 1.145 371 T CB 0.509 69.571 68.868 0.323 0.000 0.963 371 T HN 0.572 nan 8.240 nan 0.000 0.545 372 T N 2.181 116.797 114.554 0.103 0.000 2.912 372 T HA 0.399 4.748 4.350 -0.001 0.000 0.288 372 T C 0.021 174.774 174.700 0.088 0.000 1.030 372 T CA -0.625 61.523 62.100 0.081 0.000 1.020 372 T CB 1.399 70.298 68.868 0.052 0.000 1.056 372 T HN 0.336 nan 8.240 nan 0.000 0.480 373 V N 5.022 124.988 119.914 0.087 0.000 2.338 373 V HA 0.377 4.496 4.120 -0.001 0.000 0.255 373 V C -0.158 175.956 176.094 0.033 0.000 1.082 373 V CA -0.404 61.951 62.300 0.091 0.000 0.951 373 V CB -1.137 30.759 31.823 0.123 0.000 1.102 373 V HN 1.003 nan 8.190 nan 0.000 0.489 374 N N 2.895 121.597 118.700 0.004 0.000 3.185 374 N HA 0.240 4.979 4.740 -0.001 0.000 0.238 374 N C 0.117 175.589 175.510 -0.064 0.000 1.451 374 N CA -0.944 52.082 53.050 -0.040 0.000 0.888 374 N CB 1.165 39.643 38.487 -0.015 0.000 1.413 374 N HN 0.141 nan 8.380 nan 0.000 0.511 375 L N -0.163 121.007 121.223 -0.088 0.000 2.017 375 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 375 L C 2.213 179.047 176.870 -0.059 0.000 1.073 375 L CA 2.017 56.800 54.840 -0.094 0.000 0.745 375 L CB -0.237 41.765 42.059 -0.095 0.000 0.894 375 L HN 0.911 nan 8.230 nan 0.000 0.432 376 E N -0.125 120.051 120.200 -0.040 0.000 2.070 376 E HA -0.315 4.034 4.350 -0.001 0.000 0.197 376 E C 1.556 178.141 176.600 -0.024 0.000 1.004 376 E CA 2.101 58.484 56.400 -0.029 0.000 0.805 376 E CB 0.019 29.714 29.700 -0.008 0.000 0.744 376 E HN 0.462 nan 8.360 nan 0.000 0.451 377 D N -0.305 120.090 120.400 -0.010 0.000 2.269 377 D HA -0.089 4.550 4.640 -0.001 0.000 0.208 377 D C 1.701 177.998 176.300 -0.005 0.000 0.963 377 D CA 0.234 54.236 54.000 0.003 0.000 0.864 377 D CB -0.013 40.806 40.800 0.030 0.000 0.936 377 D HN 0.166 nan 8.370 nan 0.000 0.505 378 L N 0.030 121.253 121.223 -0.000 0.000 2.093 378 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 378 L C 1.958 178.896 176.870 0.114 0.000 1.085 378 L CA 1.295 56.164 54.840 0.047 0.000 0.755 378 L CB -0.323 41.750 42.059 0.024 0.000 0.904 378 L HN -0.093 nan 8.230 nan 0.000 0.435 379 V N -1.367 118.549 119.914 0.005 0.000 2.358 379 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 379 V C 2.484 178.603 176.094 0.041 0.000 1.047 379 V CA 1.566 63.843 62.300 -0.037 0.000 1.035 379 V CB -0.485 31.278 31.823 -0.100 0.000 0.658 379 V HN 0.317 nan 8.190 nan 0.000 0.452 380 V N 0.475 120.400 119.914 0.018 0.000 2.407 380 V HA -0.262 3.857 4.120 -0.001 0.000 0.248 380 V C 2.732 178.892 176.094 0.110 0.000 1.055 380 V CA 1.946 64.274 62.300 0.048 0.000 1.049 380 V CB -1.180 30.643 31.823 -0.000 0.000 0.662 380 V HN 0.557 nan 8.190 nan 0.000 0.455 381 A N -0.604 122.199 122.820 -0.029 0.000 1.908 381 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 381 A C 2.002 179.530 177.584 -0.094 0.000 1.181 381 A CA 2.333 54.181 52.037 -0.315 0.000 0.627 381 A CB -0.789 17.662 19.000 -0.915 0.000 0.818 381 A HN 0.681 nan 8.150 nan 0.000 0.445 382 H N -2.128 116.916 119.070 -0.044 0.000 2.389 382 H HA -0.089 4.466 4.556 -0.001 0.000 0.299 382 H C 1.983 177.359 175.328 0.081 0.000 1.081 382 H CA 1.747 57.818 56.048 0.039 0.000 1.345 382 H CB -0.385 29.326 29.762 -0.086 0.000 1.393 382 H HN 0.819 nan 8.280 nan 0.000 0.520 383 H N 0.923 120.047 119.070 0.091 0.000 2.265 383 H HA -0.132 4.423 4.556 -0.001 0.000 0.295 383 H C 1.916 177.250 175.328 0.009 0.000 1.084 383 H CA 2.015 58.070 56.048 0.013 0.000 1.261 383 H CB 0.195 29.964 29.762 0.011 0.000 1.360 383 H HN 0.227 nan 8.280 nan 0.000 0.487 384 E N -0.006 120.317 120.200 0.206 0.000 2.110 384 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 384 E C 2.244 178.922 176.600 0.131 0.000 0.988 384 E CA 0.849 57.414 56.400 0.276 0.000 0.804 384 E CB -0.172 29.799 29.700 0.451 0.000 0.745 384 E HN 0.580 nan 8.360 nan 0.000 0.458 385 M N -0.143 119.513 119.600 0.093 0.000 2.296 385 M HA -0.035 4.444 4.480 -0.001 0.000 0.265 385 M C 2.219 178.273 176.300 -0.411 0.000 1.064 385 M CA 1.081 56.312 55.300 -0.115 0.000 1.109 385 M CB -1.165 31.429 32.600 -0.010 0.000 1.396 385 M HN 0.099 nan 8.290 nan 0.000 0.430 386 G N -0.821 107.876 108.800 -0.172 0.000 2.408 386 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 386 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 386 G C 1.395 176.109 174.900 -0.311 0.000 1.150 386 G CA 0.518 45.519 45.100 -0.166 0.000 0.776 386 G HN 0.420 nan 8.290 nan 0.000 0.542 387 H N 0.536 119.457 119.070 -0.249 0.000 2.326 387 H HA -0.003 4.552 4.556 -0.001 0.000 0.301 387 H C 2.758 177.580 175.328 -0.844 0.000 1.081 387 H CA 0.926 56.758 56.048 -0.360 0.000 1.334 387 H CB -0.127 29.441 29.762 -0.324 0.000 1.385 387 H HN 0.191 nan 8.280 nan 0.000 0.504 388 I N 0.982 121.263 120.570 -0.481 0.000 2.226 388 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 388 I C 2.561 178.327 176.117 -0.585 0.000 1.100 388 I CA 1.126 62.151 61.300 -0.459 0.000 1.374 388 I CB -0.998 36.803 38.000 -0.331 0.000 1.057 388 I HN 0.214 nan 8.210 nan 0.000 0.413 389 Q N 0.504 119.918 119.800 -0.642 0.000 2.084 389 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 389 Q C 2.313 178.035 176.000 -0.463 0.000 0.978 389 Q CA 1.780 57.214 55.803 -0.615 0.000 0.844 389 Q CB -0.621 27.660 28.738 -0.762 0.000 0.898 389 Q HN 0.556 nan 8.270 nan 0.000 0.426 390 Y N -0.775 119.177 120.300 -0.580 0.000 2.145 390 Y HA -0.245 4.304 4.550 -0.001 0.000 0.286 390 Y C 1.765 177.114 175.900 -0.919 0.000 1.145 390 Y CA 1.320 59.027 58.100 -0.655 0.000 1.148 390 Y CB -0.117 37.876 38.460 -0.777 0.000 0.981 390 Y HN 0.173 nan 8.280 nan 0.000 0.507 391 F N -0.509 119.131 119.950 -0.517 0.000 2.065 391 F HA -0.410 4.117 4.527 -0.001 0.000 0.298 391 F C 2.471 177.931 175.800 -0.567 0.000 1.112 391 F CA 1.156 58.828 58.000 -0.547 0.000 1.212 391 F CB -0.471 38.422 39.000 -0.178 0.000 0.975 391 F HN 0.080 nan 8.300 nan 0.000 0.476 392 M N -0.428 118.846 119.600 -0.544 0.000 2.159 392 M HA -0.228 4.251 4.480 -0.001 0.000 0.263 392 M C 2.247 178.436 176.300 -0.186 0.000 1.063 392 M CA 1.413 56.436 55.300 -0.462 0.000 1.110 392 M CB -0.558 31.719 32.600 -0.538 0.000 1.374 392 M HN 0.161 nan 8.290 nan 0.000 0.411 393 Q N 0.080 119.744 119.800 -0.227 0.000 2.084 393 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 393 Q C 1.293 177.342 176.000 0.081 0.000 0.978 393 Q CA 1.505 57.250 55.803 -0.096 0.000 0.844 393 Q CB -0.354 28.296 28.738 -0.147 0.000 0.898 393 Q HN 0.801 nan 8.270 nan 0.000 0.426 394 Y N -0.355 120.052 120.300 0.178 0.000 2.658 394 Y HA 0.340 4.889 4.550 -0.001 0.000 0.276 394 Y C 1.264 177.285 175.900 0.201 0.000 1.167 394 Y CA -0.850 57.368 58.100 0.196 0.000 1.230 394 Y CB -0.734 37.878 38.460 0.254 0.000 1.144 394 Y HN 0.003 nan 8.280 nan 0.000 0.529 395 K N -0.416 120.233 120.400 0.415 0.000 2.360 395 K HA -0.116 4.203 4.320 -0.001 0.000 0.201 395 K C -0.017 176.750 176.600 0.279 0.000 1.046 395 K CA 1.695 58.219 56.287 0.395 0.000 0.945 395 K CB -0.088 32.632 32.500 0.366 0.000 0.750 395 K HN 0.202 nan 8.250 nan 0.000 0.464 396 D N 0.877 121.412 120.400 0.226 0.000 2.340 396 D HA 0.150 4.790 4.640 -0.001 0.000 0.217 396 D C 0.364 176.745 176.300 0.135 0.000 1.081 396 D CA 0.086 54.178 54.000 0.154 0.000 0.842 396 D CB 0.290 41.161 40.800 0.119 0.000 0.934 396 D HN 0.201 nan 8.370 nan 0.000 0.511 397 L N 0.877 122.201 121.223 0.167 0.000 2.416 397 L HA 0.326 4.666 4.340 -0.001 0.000 0.262 397 L C -2.110 174.816 176.870 0.095 0.000 1.093 397 L CA -1.948 52.964 54.840 0.120 0.000 0.801 397 L CB 0.453 42.585 42.059 0.122 0.000 1.191 397 L HN -0.361 nan 8.230 nan 0.000 0.459 398 P HA -0.036 nan 4.420 nan 0.000 0.265 398 P C 0.808 178.145 177.300 0.062 0.000 1.193 398 P CA -0.105 63.019 63.100 0.040 0.000 0.765 398 P CB 0.603 32.325 31.700 0.037 0.000 0.823 399 V N 3.165 123.095 119.914 0.027 0.000 2.546 399 V HA -0.314 3.805 4.120 -0.001 0.000 0.254 399 V C 2.241 178.443 176.094 0.181 0.000 1.076 399 V CA 2.557 64.911 62.300 0.090 0.000 1.087 399 V CB -1.554 30.206 31.823 -0.105 0.000 0.674 399 V HN 0.688 nan 8.190 nan 0.000 0.470 400 A N -0.570 122.344 122.820 0.157 0.000 2.070 400 A HA -0.041 4.278 4.320 -0.001 0.000 0.220 400 A C 1.966 179.683 177.584 0.221 0.000 1.159 400 A CA 1.387 53.586 52.037 0.271 0.000 0.656 400 A CB -0.328 18.830 19.000 0.264 0.000 0.800 400 A HN 0.570 nan 8.150 nan 0.000 0.453 401 L N -1.202 120.112 121.223 0.152 0.000 2.728 401 L HA 0.175 4.514 4.340 -0.001 0.000 0.238 401 L C 0.543 177.381 176.870 -0.054 0.000 1.143 401 L CA -0.244 54.681 54.840 0.141 0.000 0.937 401 L CB 0.104 42.228 42.059 0.107 0.000 1.225 401 L HN 0.178 nan 8.230 nan 0.000 0.507 402 R N 1.829 122.258 120.500 -0.118 0.000 4.164 402 R HA 0.173 4.513 4.340 -0.001 0.000 0.195 402 R C -0.431 175.483 176.300 -0.642 0.000 1.712 402 R CA 0.171 55.932 56.100 -0.565 0.000 1.457 402 R CB -0.081 30.218 30.300 -0.003 0.000 1.387 402 R HN 0.199 nan 8.270 nan 0.000 0.785 403 E N -0.193 119.620 120.200 -0.644 0.000 2.449 403 E HA 0.311 4.660 4.350 -0.001 0.000 0.278 403 E C -0.101 176.433 176.600 -0.111 0.000 0.992 403 E CA -0.928 55.345 56.400 -0.212 0.000 0.807 403 E CB 1.576 31.116 29.700 -0.268 0.000 1.350 403 E HN 0.378 nan 8.360 nan 0.000 0.462 404 G N -0.176 108.614 108.800 -0.016 0.000 2.606 404 G HA2 0.333 4.292 3.960 -0.001 0.000 0.252 404 G HA3 0.333 4.292 3.960 -0.001 0.000 0.252 404 G C 0.929 175.902 174.900 0.121 0.000 1.206 404 G CA 0.270 45.250 45.100 -0.201 0.000 0.861 404 G HN 0.456 nan 8.290 nan 0.000 0.561 405 A N 1.116 124.026 122.820 0.151 0.000 1.915 405 A HA -0.092 4.227 4.320 -0.001 0.000 0.220 405 A C 1.250 178.907 177.584 0.122 0.000 1.198 405 A CA 2.387 54.424 52.037 0.000 0.000 0.647 405 A CB -0.700 17.900 19.000 -0.667 0.000 0.825 405 A HN 1.238 nan 8.150 nan 0.000 0.456 406 N N -4.929 113.763 118.700 -0.013 0.000 2.708 406 N HA 0.421 5.161 4.740 -0.001 0.000 0.257 406 N C -2.911 172.586 175.510 -0.022 0.000 1.373 406 N CA -1.715 51.286 53.050 -0.082 0.000 0.843 406 N CB 0.539 38.905 38.487 -0.202 0.000 1.503 406 N HN -0.248 nan 8.380 nan 0.000 0.504 407 P HA -0.054 nan 4.420 nan 0.000 0.217 407 P C 1.264 178.659 177.300 0.158 0.000 1.148 407 P CA 2.159 65.225 63.100 -0.057 0.000 0.828 407 P CB -0.050 31.533 31.700 -0.196 0.000 0.783 408 G N -1.453 107.509 108.800 0.271 0.000 2.418 408 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.217 408 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.217 408 G C 1.184 176.296 174.900 0.352 0.000 1.158 408 G CA 0.347 45.635 45.100 0.313 0.000 0.771 408 G HN 0.140 nan 8.290 nan 0.000 0.545 409 F N 0.473 120.561 119.950 0.231 0.000 2.126 409 F HA -0.026 4.500 4.527 -0.001 0.000 0.299 409 F C 2.565 178.627 175.800 0.437 0.000 1.096 409 F CA 1.165 59.395 58.000 0.383 0.000 1.255 409 F CB -0.597 38.674 39.000 0.452 0.000 0.997 409 F HN 0.170 nan 8.300 nan 0.000 0.479 410 H N 0.416 119.763 119.070 0.462 0.000 2.387 410 H HA -0.096 4.460 4.556 -0.001 0.000 0.299 410 H C 1.972 177.436 175.328 0.226 0.000 1.090 410 H CA 1.599 57.851 56.048 0.340 0.000 1.332 410 H CB 0.123 29.983 29.762 0.163 0.000 1.386 410 H HN 0.204 nan 8.280 nan 0.000 0.516 411 E N -0.023 120.412 120.200 0.392 0.000 2.216 411 E HA -0.011 4.339 4.350 -0.001 0.000 0.192 411 E C 2.222 178.900 176.600 0.131 0.000 0.988 411 E CA 0.682 57.254 56.400 0.287 0.000 0.834 411 E CB -0.102 29.867 29.700 0.447 0.000 0.772 411 E HN 0.448 nan 8.360 nan 0.000 0.479 412 A N 1.426 124.321 122.820 0.126 0.000 1.930 412 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 412 A C 2.109 179.693 177.584 -0.001 0.000 1.176 412 A CA 0.419 52.468 52.037 0.020 0.000 0.632 412 A CB -0.259 18.697 19.000 -0.074 0.000 0.819 412 A HN 0.075 nan 8.150 nan 0.000 0.445 413 I N 0.571 121.169 120.570 0.046 0.000 2.091 413 I HA -0.293 3.877 4.170 -0.001 0.000 0.240 413 I C 2.654 178.746 176.117 -0.041 0.000 1.046 413 I CA 1.931 63.233 61.300 0.004 0.000 1.306 413 I CB -2.037 35.946 38.000 -0.029 0.000 1.018 413 I HN 0.338 nan 8.210 nan 0.000 0.404 414 G N 0.291 109.040 108.800 -0.084 0.000 2.418 414 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 414 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 414 G C 1.252 176.080 174.900 -0.119 0.000 1.158 414 G CA 0.916 46.000 45.100 -0.028 0.000 0.771 414 G HN 0.343 nan 8.290 nan 0.000 0.545 415 D N 0.129 120.450 120.400 -0.131 0.000 2.149 415 D HA -0.086 4.553 4.640 -0.001 0.000 0.198 415 D C 2.703 178.777 176.300 -0.377 0.000 0.990 415 D CA 0.548 54.402 54.000 -0.243 0.000 0.839 415 D CB -0.318 40.306 40.800 -0.294 0.000 0.948 415 D HN 0.199 nan 8.370 nan 0.000 0.460 416 V N 0.443 120.170 119.914 -0.312 0.000 2.255 416 V HA -0.249 3.870 4.120 -0.001 0.000 0.247 416 V C 2.349 178.206 176.094 -0.394 0.000 1.051 416 V CA 1.306 63.416 62.300 -0.316 0.000 1.018 416 V CB -0.432 31.314 31.823 -0.128 0.000 0.641 416 V HN 0.159 nan 8.190 nan 0.000 0.445 417 L N 0.359 121.288 121.223 -0.490 0.000 2.083 417 L HA -0.074 4.266 4.340 -0.001 0.000 0.209 417 L C 2.573 178.905 176.870 -0.897 0.000 1.083 417 L CA 2.135 56.467 54.840 -0.848 0.000 0.752 417 L CB -1.186 40.185 42.059 -1.146 0.000 0.899 417 L HN 0.292 nan 8.230 nan 0.000 0.433 418 A N -0.946 121.480 122.820 -0.658 0.000 2.070 418 A HA -0.156 4.163 4.320 -0.001 0.000 0.220 418 A C 2.322 179.604 177.584 -0.503 0.000 1.159 418 A CA 1.345 53.002 52.037 -0.634 0.000 0.656 418 A CB -0.701 18.043 19.000 -0.426 0.000 0.800 418 A HN 0.395 nan 8.150 nan 0.000 0.453 419 L N -0.869 120.051 121.223 -0.506 0.000 2.056 419 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 419 L C 2.840 179.535 176.870 -0.293 0.000 1.078 419 L CA 1.519 56.073 54.840 -0.477 0.000 0.749 419 L CB -0.342 41.226 42.059 -0.818 0.000 0.901 419 L HN 0.329 nan 8.230 nan 0.000 0.433 420 S N -0.768 114.760 115.700 -0.288 0.000 2.383 420 S HA -0.125 4.344 4.470 -0.001 0.000 0.227 420 S C 1.994 176.472 174.600 -0.203 0.000 1.026 420 S CA 0.965 59.099 58.200 -0.109 0.000 0.981 420 S CB -0.088 63.144 63.200 0.053 0.000 0.818 420 S HN 0.154 nan 8.310 nan 0.000 0.472 421 V N 1.748 121.405 119.914 -0.429 0.000 2.392 421 V HA -0.143 3.976 4.120 -0.001 0.000 0.249 421 V C 2.186 178.217 176.094 -0.104 0.000 1.059 421 V CA 1.768 63.814 62.300 -0.424 0.000 1.051 421 V CB -0.790 30.681 31.823 -0.586 0.000 0.658 421 V HN 0.420 nan 8.190 nan 0.000 0.455 422 S N -0.332 115.304 115.700 -0.108 0.000 2.515 422 S HA -0.053 4.416 4.470 -0.001 0.000 0.231 422 S C 1.140 175.828 174.600 0.148 0.000 0.987 422 S CA 0.795 59.018 58.200 0.038 0.000 0.936 422 S CB -0.477 62.755 63.200 0.052 0.000 0.766 422 S HN 0.858 nan 8.310 nan 0.000 0.528 423 T N 1.002 115.581 114.554 0.043 0.000 2.940 423 T HA 0.131 4.481 4.350 -0.001 0.000 0.309 423 T C -1.948 172.625 174.700 -0.211 0.000 1.056 423 T CA -1.308 60.665 62.100 -0.211 0.000 1.137 423 T CB 0.628 69.406 68.868 -0.150 0.000 0.976 423 T HN -0.091 nan 8.240 nan 0.000 0.547 424 P HA -0.140 nan 4.420 nan 0.000 0.216 424 P C 1.838 179.074 177.300 -0.106 0.000 1.157 424 P CA 0.993 63.963 63.100 -0.216 0.000 0.880 424 P CB 0.093 31.624 31.700 -0.282 0.000 0.791 425 K N -1.230 119.088 120.400 -0.137 0.000 2.063 425 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 425 K C 2.182 178.774 176.600 -0.013 0.000 1.048 425 K CA 1.708 57.947 56.287 -0.081 0.000 0.928 425 K CB -1.122 31.322 32.500 -0.094 0.000 0.713 425 K HN 0.295 nan 8.250 nan 0.000 0.442 426 H N 0.433 119.461 119.070 -0.070 0.000 2.363 426 H HA 0.070 4.626 4.556 -0.001 0.000 0.301 426 H C 2.063 177.369 175.328 -0.035 0.000 1.074 426 H CA 1.414 57.428 56.048 -0.056 0.000 1.354 426 H CB -0.052 29.696 29.762 -0.023 0.000 1.397 426 H HN 0.019 nan 8.280 nan 0.000 0.516 427 L N -0.316 120.925 121.223 0.029 0.000 2.083 427 L HA -0.222 4.117 4.340 -0.001 0.000 0.209 427 L C 2.615 179.449 176.870 -0.059 0.000 1.083 427 L CA 1.543 56.369 54.840 -0.023 0.000 0.752 427 L CB -0.633 41.416 42.059 -0.017 0.000 0.899 427 L HN 0.522 nan 8.230 nan 0.000 0.433 428 H N 0.200 119.203 119.070 -0.113 0.000 2.387 428 H HA -0.145 4.411 4.556 -0.001 0.000 0.299 428 H C 2.329 177.586 175.328 -0.118 0.000 1.090 428 H CA 1.798 57.785 56.048 -0.103 0.000 1.332 428 H CB 0.223 29.924 29.762 -0.102 0.000 1.386 428 H HN 0.403 nan 8.280 nan 0.000 0.516 429 S N 0.141 115.806 115.700 -0.059 0.000 2.447 429 S HA -0.043 4.427 4.470 -0.001 0.000 0.233 429 S C 2.058 176.546 174.600 -0.187 0.000 1.006 429 S CA 0.665 58.780 58.200 -0.141 0.000 0.957 429 S CB -0.486 62.556 63.200 -0.264 0.000 0.773 429 S HN 0.413 nan 8.310 nan 0.000 0.507 430 L N 0.998 122.120 121.223 -0.169 0.000 2.611 430 L HA 0.310 4.649 4.340 -0.001 0.000 0.229 430 L C 0.747 177.641 176.870 0.039 0.000 1.137 430 L CA 0.023 54.861 54.840 -0.003 0.000 0.901 430 L CB -0.766 41.342 42.059 0.080 0.000 1.098 430 L HN 0.323 nan 8.230 nan 0.000 0.456 431 N N 0.113 118.741 118.700 -0.119 0.000 2.754 431 N HA -0.220 4.519 4.740 -0.001 0.000 0.248 431 N C 0.299 175.745 175.510 -0.108 0.000 1.093 431 N CA 0.563 53.521 53.050 -0.153 0.000 0.699 431 N CB -1.091 37.364 38.487 -0.053 0.000 1.016 431 N HN 0.329 nan 8.380 nan 0.000 0.552 432 L N -1.435 119.706 121.223 -0.136 0.000 2.731 432 L HA 0.364 4.703 4.340 -0.001 0.000 0.240 432 L C 0.561 177.367 176.870 -0.107 0.000 1.120 432 L CA 0.210 54.959 54.840 -0.152 0.000 0.913 432 L CB 0.205 42.121 42.059 -0.238 0.000 1.213 432 L HN 0.144 nan 8.230 nan 0.000 0.515 433 L N -1.193 119.975 121.223 -0.091 0.000 2.359 433 L HA 0.523 4.863 4.340 -0.001 0.000 0.256 433 L C -0.424 176.467 176.870 0.035 0.000 1.026 433 L CA -0.434 54.397 54.840 -0.014 0.000 0.828 433 L CB 2.554 44.628 42.059 0.025 0.000 1.406 433 L HN -0.005 nan 8.230 nan 0.000 0.413 440 D N 1.552 121.919 120.400 -0.055 0.000 2.158 440 D HA -0.145 4.495 4.640 -0.001 0.000 0.197 440 D C 1.465 177.633 176.300 -0.219 0.000 0.995 440 D CA 1.565 55.513 54.000 -0.087 0.000 0.846 440 D CB 0.273 41.024 40.800 -0.083 0.000 0.941 440 D HN 0.846 nan 8.370 nan 0.000 0.456 441 E N -0.120 119.835 120.200 -0.408 0.000 2.077 441 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 441 E C 1.962 178.373 176.600 -0.315 0.000 0.989 441 E CA 0.805 56.731 56.400 -0.790 0.000 0.800 441 E CB -0.180 28.947 29.700 -0.955 0.000 0.746 441 E HN 0.477 nan 8.360 nan 0.000 0.452 442 H N 0.043 119.037 119.070 -0.127 0.000 2.423 442 H HA -0.077 4.478 4.556 -0.001 0.000 0.297 442 H C 1.735 177.093 175.328 0.049 0.000 1.075 442 H CA 1.462 57.507 56.048 -0.005 0.000 1.342 442 H CB 0.083 29.835 29.762 -0.016 0.000 1.395 442 H HN 0.089 nan 8.280 nan 0.000 0.530 443 D N -0.191 120.285 120.400 0.126 0.000 2.117 443 D HA -0.114 4.526 4.640 -0.001 0.000 0.198 443 D C 1.842 178.203 176.300 0.101 0.000 0.982 443 D CA 0.775 54.869 54.000 0.157 0.000 0.828 443 D CB 0.041 40.920 40.800 0.131 0.000 0.967 443 D HN 0.169 nan 8.370 nan 0.000 0.464 444 I N 0.846 121.404 120.570 -0.020 0.000 2.439 444 I HA -0.151 4.018 4.170 -0.001 0.000 0.251 444 I C 1.791 177.872 176.117 -0.060 0.000 1.139 444 I CA 0.825 62.053 61.300 -0.121 0.000 1.438 444 I CB -1.119 36.716 38.000 -0.276 0.000 1.085 444 I HN 0.105 nan 8.210 nan 0.000 0.427 445 N N 0.926 119.670 118.700 0.074 0.000 2.120 445 N HA -0.211 4.529 4.740 -0.001 0.000 0.188 445 N C 1.820 177.465 175.510 0.225 0.000 1.024 445 N CA 1.092 54.260 53.050 0.196 0.000 0.852 445 N CB -0.631 38.011 38.487 0.259 0.000 1.003 445 N HN 0.285 nan 8.380 nan 0.000 0.424 446 F N 1.786 121.774 119.950 0.062 0.000 2.102 446 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 446 F C 2.045 177.879 175.800 0.056 0.000 1.105 446 F CA 1.091 59.113 58.000 0.037 0.000 1.239 446 F CB -0.565 38.466 39.000 0.052 0.000 0.991 446 F HN -0.058 nan 8.300 nan 0.000 0.474 447 L N -0.417 120.702 121.223 -0.174 0.000 2.079 447 L HA -0.249 4.091 4.340 -0.001 0.000 0.210 447 L C 2.509 179.371 176.870 -0.012 0.000 1.081 447 L CA 1.579 56.285 54.840 -0.223 0.000 0.752 447 L CB -0.654 41.313 42.059 -0.153 0.000 0.896 447 L HN 0.335 nan 8.230 nan 0.000 0.433 448 M N 0.321 119.930 119.600 0.014 0.000 2.132 448 M HA -0.202 4.277 4.480 -0.001 0.000 0.263 448 M C 2.116 178.508 176.300 0.152 0.000 1.065 448 M CA 1.821 57.182 55.300 0.102 0.000 1.122 448 M CB -0.276 32.396 32.600 0.121 0.000 1.365 448 M HN -0.114 nan 8.290 nan 0.000 0.411 449 K N -0.179 120.263 120.400 0.069 0.000 2.057 449 K HA -0.068 4.251 4.320 -0.001 0.000 0.207 449 K C 1.734 178.307 176.600 -0.044 0.000 1.049 449 K CA 1.681 57.938 56.287 -0.051 0.000 0.931 449 K CB -0.247 32.064 32.500 -0.314 0.000 0.714 449 K HN 0.316 nan 8.250 nan 0.000 0.440 450 M N 0.057 119.580 119.600 -0.128 0.000 2.175 450 M HA 0.012 4.491 4.480 -0.001 0.000 0.264 450 M C 2.247 178.673 176.300 0.210 0.000 1.063 450 M CA 1.686 56.981 55.300 -0.009 0.000 1.119 450 M CB -1.227 31.307 32.600 -0.110 0.000 1.377 450 M HN 0.280 nan 8.290 nan 0.000 0.415 451 A N 0.325 123.286 122.820 0.235 0.000 1.898 451 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 451 A C 2.273 179.833 177.584 -0.039 0.000 1.181 451 A CA 1.129 53.140 52.037 -0.043 0.000 0.620 451 A CB -0.939 17.998 19.000 -0.104 0.000 0.819 451 A HN 0.472 nan 8.150 nan 0.000 0.442 452 L N -0.623 120.644 121.223 0.074 0.000 2.187 452 L HA -0.209 4.131 4.340 -0.001 0.000 0.213 452 L C 2.228 179.125 176.870 0.046 0.000 1.100 452 L CA 1.717 56.628 54.840 0.119 0.000 0.765 452 L CB -0.406 41.811 42.059 0.264 0.000 0.904 452 L HN 0.542 nan 8.230 nan 0.000 0.437 453 D N -0.614 119.825 120.400 0.064 0.000 2.355 453 D HA -0.101 4.538 4.640 -0.001 0.000 0.233 453 D C 2.130 178.534 176.300 0.173 0.000 0.997 453 D CA 0.789 54.842 54.000 0.089 0.000 0.920 453 D CB 0.247 41.089 40.800 0.069 0.000 1.063 453 D HN -0.159 nan 8.370 nan 0.000 0.465 454 K N 0.561 121.082 120.400 0.202 0.000 2.025 454 K HA -0.022 4.298 4.320 -0.001 0.000 0.207 454 K C 2.141 178.859 176.600 0.196 0.000 1.049 454 K CA 0.634 57.130 56.287 0.348 0.000 0.933 454 K CB -0.370 32.337 32.500 0.344 0.000 0.714 454 K HN 0.312 nan 8.250 nan 0.000 0.438 455 I N 1.114 121.613 120.570 -0.118 0.000 2.286 455 I HA -0.104 4.065 4.170 -0.001 0.000 0.245 455 I C 2.362 178.411 176.117 -0.113 0.000 1.104 455 I CA 0.920 62.100 61.300 -0.199 0.000 1.397 455 I CB -1.431 36.346 38.000 -0.373 0.000 1.072 455 I HN -0.013 nan 8.210 nan 0.000 0.417 456 A N 0.303 122.982 122.820 -0.235 0.000 1.972 456 A HA -0.245 4.074 4.320 -0.001 0.000 0.219 456 A C 2.220 179.655 177.584 -0.248 0.000 1.169 456 A CA 1.214 52.946 52.037 -0.507 0.000 0.635 456 A CB -0.974 17.212 19.000 -1.356 0.000 0.810 456 A HN 0.376 nan 8.150 nan 0.000 0.446 457 F N 0.472 120.291 119.950 -0.217 0.000 2.325 457 F HA -0.059 4.467 4.527 -0.001 0.000 0.299 457 F C 1.861 177.607 175.800 -0.090 0.000 1.090 457 F CA 0.371 58.279 58.000 -0.153 0.000 1.392 457 F CB -0.014 38.806 39.000 -0.301 0.000 1.053 457 F HN 0.107 nan 8.300 nan 0.000 0.521 458 I N 2.308 122.830 120.570 -0.079 0.000 2.091 458 I HA -0.249 3.921 4.170 -0.001 0.000 0.239 458 I C -0.197 175.942 176.117 0.037 0.000 1.061 458 I CA 1.993 63.280 61.300 -0.020 0.000 1.317 458 I CB -2.723 35.265 38.000 -0.020 0.000 1.031 458 I HN 0.107 nan 8.210 nan 0.000 0.401 459 P HA -0.215 nan 4.420 nan 0.000 0.217 459 P C 2.018 179.241 177.300 -0.129 0.000 1.150 459 P CA 1.547 64.654 63.100 0.012 0.000 0.832 459 P CB -0.319 31.266 31.700 -0.192 0.000 0.787 460 F N 2.590 122.356 119.950 -0.307 0.000 2.113 460 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 460 F C 2.420 177.947 175.800 -0.455 0.000 1.103 460 F CA 2.195 59.985 58.000 -0.351 0.000 1.248 460 F CB -0.779 38.060 39.000 -0.268 0.000 0.999 460 F HN -0.049 nan 8.300 nan 0.000 0.475 461 S N -0.994 114.373 115.700 -0.555 0.000 2.419 461 S HA -0.269 4.200 4.470 -0.001 0.000 0.233 461 S C 1.965 176.410 174.600 -0.260 0.000 1.016 461 S CA 1.102 59.058 58.200 -0.406 0.000 0.974 461 S CB -1.363 61.428 63.200 -0.683 0.000 0.786 461 S HN 0.595 nan 8.310 nan 0.000 0.492 462 Y N 2.007 121.996 120.300 -0.518 0.000 2.243 462 Y HA 0.218 4.767 4.550 -0.001 0.000 0.293 462 Y C 2.096 177.428 175.900 -0.947 0.000 1.124 462 Y CA 0.922 58.484 58.100 -0.896 0.000 1.159 462 Y CB -0.414 37.396 38.460 -1.083 0.000 1.008 462 Y HN 0.337 nan 8.280 nan 0.000 0.527 463 L N -0.946 119.749 121.223 -0.880 0.000 2.046 463 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 463 L C 2.040 178.468 176.870 -0.737 0.000 1.077 463 L CA 1.565 55.900 54.840 -0.842 0.000 0.747 463 L CB -0.657 40.993 42.059 -0.681 0.000 0.896 463 L HN 0.103 nan 8.230 nan 0.000 0.432 464 V N 0.599 120.032 119.914 -0.801 0.000 2.231 464 V HA -0.356 3.763 4.120 -0.001 0.000 0.250 464 V C 2.062 177.953 176.094 -0.339 0.000 1.058 464 V CA 2.400 64.365 62.300 -0.559 0.000 1.022 464 V CB -0.775 30.566 31.823 -0.804 0.000 0.640 464 V HN 0.529 nan 8.190 nan 0.000 0.445 465 D N -1.323 118.755 120.400 -0.536 0.000 2.347 465 D HA -0.058 4.581 4.640 -0.001 0.000 0.215 465 D C 2.329 177.923 176.300 -1.177 0.000 0.976 465 D CA 0.323 53.857 54.000 -0.776 0.000 0.884 465 D CB -0.120 40.144 40.800 -0.894 0.000 0.915 465 D HN 0.366 nan 8.370 nan 0.000 0.526 466 Q N -0.756 118.463 119.800 -0.968 0.000 2.079 466 Q HA -0.134 4.205 4.340 -0.001 0.000 0.200 466 Q C 1.961 177.795 176.000 -0.276 0.000 0.974 466 Q CA 0.800 56.190 55.803 -0.689 0.000 0.840 466 Q CB -0.491 27.864 28.738 -0.639 0.000 0.898 466 Q HN 0.479 nan 8.270 nan 0.000 0.430 467 W N 1.666 122.746 121.300 -0.367 0.000 2.378 467 W HA -0.116 4.543 4.660 -0.001 0.000 0.313 467 W C 2.255 178.663 176.519 -0.184 0.000 1.197 467 W CA 1.461 58.701 57.345 -0.175 0.000 1.304 467 W CB -0.144 29.280 29.460 -0.060 0.000 1.148 467 W HN 0.001 nan 8.180 nan 0.000 0.494 468 R N -0.764 119.666 120.500 -0.117 0.000 2.096 468 R HA -0.201 4.138 4.340 -0.001 0.000 0.235 468 R C 2.008 178.001 176.300 -0.512 0.000 1.127 468 R CA 1.798 57.612 56.100 -0.476 0.000 0.968 468 R CB -0.968 29.194 30.300 -0.231 0.000 0.861 468 R HN 0.250 nan 8.270 nan 0.000 0.440 469 W N 0.842 121.977 121.300 -0.274 0.000 2.363 469 W HA -0.080 4.579 4.660 -0.001 0.000 0.296 469 W C 1.992 178.409 176.519 -0.170 0.000 1.212 469 W CA 0.681 57.945 57.345 -0.135 0.000 1.260 469 W CB -0.576 28.845 29.460 -0.065 0.000 1.131 469 W HN 0.099 nan 8.180 nan 0.000 0.530 470 R N -0.584 119.901 120.500 -0.025 0.000 2.153 470 R HA -0.029 4.310 4.340 -0.001 0.000 0.218 470 R C 2.041 178.224 176.300 -0.195 0.000 1.072 470 R CA 0.920 56.967 56.100 -0.089 0.000 0.990 470 R CB -0.562 29.677 30.300 -0.101 0.000 0.889 470 R HN 0.009 nan 8.270 nan 0.000 0.452 471 V N 0.330 119.992 119.914 -0.420 0.000 2.323 471 V HA -0.181 3.938 4.120 -0.001 0.000 0.244 471 V C 1.892 177.894 176.094 -0.152 0.000 1.041 471 V CA 1.667 63.722 62.300 -0.408 0.000 1.025 471 V CB -0.429 30.922 31.823 -0.787 0.000 0.656 471 V HN 0.237 nan 8.190 nan 0.000 0.451 472 F N 1.427 121.270 119.950 -0.177 0.000 2.134 472 F HA -0.200 4.326 4.527 -0.001 0.000 0.299 472 F C 2.250 177.961 175.800 -0.147 0.000 1.097 472 F CA 1.226 59.109 58.000 -0.196 0.000 1.264 472 F CB -0.307 38.545 39.000 -0.248 0.000 1.001 472 F HN 0.406 nan 8.300 nan 0.000 0.479 473 D N -0.427 120.023 120.400 0.084 0.000 2.336 473 D HA 0.077 4.716 4.640 -0.001 0.000 0.229 473 D C 1.635 177.937 176.300 0.002 0.000 1.061 473 D CA 0.922 54.936 54.000 0.023 0.000 0.875 473 D CB -0.102 40.708 40.800 0.017 0.000 0.904 473 D HN 0.365 nan 8.370 nan 0.000 0.525 474 G N -0.397 108.403 108.800 0.000 0.000 2.199 474 G HA2 -0.374 3.585 3.960 -0.001 0.000 0.254 474 G HA3 -0.374 3.585 3.960 -0.001 0.000 0.254 474 G C 1.398 176.292 174.900 -0.010 0.000 0.982 474 G CA 0.505 45.601 45.100 -0.006 0.000 0.632 474 G HN 0.347 nan 8.290 nan 0.000 0.529 475 S N -0.271 115.420 115.700 -0.015 0.000 2.383 475 S HA 0.110 4.579 4.470 -0.001 0.000 0.229 475 S C 1.118 175.712 174.600 -0.009 0.000 1.030 475 S CA 1.106 59.300 58.200 -0.010 0.000 1.002 475 S CB -0.008 63.187 63.200 -0.008 0.000 0.829 475 S HN 0.571 nan 8.310 nan 0.000 0.467 476 I N 2.156 122.707 120.570 -0.031 0.000 2.355 476 I HA 0.224 4.393 4.170 -0.001 0.000 0.288 476 I C 0.449 176.592 176.117 0.043 0.000 0.999 476 I CA -0.541 60.760 61.300 0.000 0.000 1.163 476 I CB 1.703 39.657 38.000 -0.077 0.000 1.316 476 I HN 0.092 nan 8.210 nan 0.000 0.454 477 T N 1.667 116.227 114.554 0.010 0.000 2.881 477 T HA 0.263 4.612 4.350 -0.001 0.000 0.278 477 T C 1.080 175.582 174.700 -0.330 0.000 0.982 477 T CA -0.768 61.286 62.100 -0.078 0.000 0.989 477 T CB 1.336 70.155 68.868 -0.081 0.000 1.058 477 T HN 0.761 nan 8.240 nan 0.000 0.529 478 K N 0.215 120.233 120.400 -0.636 0.000 2.360 478 K HA -0.114 4.205 4.320 -0.001 0.000 0.201 478 K C 1.549 177.761 176.600 -0.648 0.000 1.046 478 K CA 1.459 56.932 56.287 -1.356 0.000 0.945 478 K CB -0.212 31.799 32.500 -0.814 0.000 0.750 478 K HN 0.755 nan 8.250 nan 0.000 0.464 479 E N 0.791 120.811 120.200 -0.300 0.000 2.150 479 E HA -0.068 4.282 4.350 -0.001 0.000 0.193 479 E C 0.805 177.390 176.600 -0.025 0.000 0.985 479 E CA 0.812 57.139 56.400 -0.123 0.000 0.814 479 E CB 0.044 29.704 29.700 -0.066 0.000 0.752 479 E HN 0.426 nan 8.360 nan 0.000 0.466 480 N N -0.450 118.254 118.700 0.006 0.000 2.234 480 N HA 0.073 4.812 4.740 -0.001 0.000 0.227 480 N C 0.535 176.266 175.510 0.369 0.000 1.151 480 N CA -0.026 53.121 53.050 0.161 0.000 0.865 480 N CB 0.243 38.812 38.487 0.137 0.000 1.066 480 N HN 0.281 nan 8.380 nan 0.000 0.515 481 Y N 1.631 122.118 120.300 0.311 0.000 1.993 481 Y HA -0.347 4.202 4.550 -0.001 0.000 0.267 481 Y C 2.324 178.597 175.900 0.621 0.000 1.155 481 Y CA 1.218 59.655 58.100 0.561 0.000 1.105 481 Y CB -0.124 38.696 38.460 0.600 0.000 0.960 481 Y HN 0.127 nan 8.280 nan 0.000 0.486 482 N N -0.165 118.916 118.700 0.634 0.000 2.084 482 N HA -0.193 4.546 4.740 -0.001 0.000 0.190 482 N C 1.636 177.470 175.510 0.540 0.000 1.030 482 N CA 1.637 54.979 53.050 0.487 0.000 0.849 482 N CB -0.236 38.503 38.487 0.420 0.000 1.012 482 N HN 0.262 nan 8.380 nan 0.000 0.423 483 Q N 0.217 120.280 119.800 0.439 0.000 2.096 483 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 483 Q C 1.681 177.908 176.000 0.379 0.000 0.982 483 Q CA 1.214 57.243 55.803 0.377 0.000 0.850 483 Q CB -0.093 28.800 28.738 0.257 0.000 0.901 483 Q HN 0.348 nan 8.270 nan 0.000 0.422 484 E N -0.501 119.947 120.200 0.414 0.000 2.152 484 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 484 E C 1.450 178.303 176.600 0.420 0.000 0.983 484 E CA 0.457 57.094 56.400 0.394 0.000 0.818 484 E CB -0.405 29.538 29.700 0.404 0.000 0.758 484 E HN 0.536 nan 8.360 nan 0.000 0.467 485 W N 0.195 121.607 121.300 0.186 0.000 2.335 485 W HA -0.227 4.432 4.660 -0.002 0.000 0.311 485 W C 1.312 177.618 176.519 -0.355 0.000 1.213 485 W CA 1.072 58.213 57.345 -0.340 0.000 1.274 485 W CB -0.628 28.381 29.460 -0.752 0.000 1.148 485 W HN 0.112 nan 8.180 nan 0.000 0.498 486 W N 0.856 122.214 121.300 0.096 0.000 2.467 486 W HA -0.132 4.528 4.660 -0.000 0.000 0.275 486 W C 2.865 179.360 176.519 -0.039 0.000 1.239 486 W CA 1.542 58.878 57.345 -0.016 0.000 1.266 486 W CB -0.702 28.827 29.460 0.114 0.000 1.112 486 W HN -0.258 nan 8.180 nan 0.000 0.576 487 S N 0.556 116.364 115.700 0.180 0.000 2.383 487 S HA -0.128 4.342 4.470 -0.001 0.000 0.227 487 S C 1.774 176.372 174.600 -0.003 0.000 1.026 487 S CA 1.010 59.277 58.200 0.111 0.000 0.981 487 S CB -0.442 62.830 63.200 0.120 0.000 0.818 487 S HN 0.204 nan 8.310 nan 0.000 0.472 488 L N 0.722 121.901 121.223 -0.074 0.000 2.131 488 L HA 0.024 4.363 4.340 -0.001 0.000 0.206 488 L C 2.725 179.483 176.870 -0.186 0.000 1.087 488 L CA 0.725 55.488 54.840 -0.128 0.000 0.767 488 L CB -0.365 41.644 42.059 -0.084 0.000 0.917 488 L HN 0.142 nan 8.230 nan 0.000 0.441 489 R N 0.074 120.341 120.500 -0.388 0.000 2.091 489 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 489 R C 2.160 178.404 176.300 -0.094 0.000 1.136 489 R CA 1.388 57.264 56.100 -0.372 0.000 0.959 489 R CB -0.809 29.115 30.300 -0.628 0.000 0.856 489 R HN 0.251 nan 8.270 nan 0.000 0.437 490 L N 1.446 122.656 121.223 -0.022 0.000 2.023 490 L HA -0.081 4.258 4.340 -0.001 0.000 0.205 490 L C 2.394 179.287 176.870 0.038 0.000 1.073 490 L CA 1.869 56.686 54.840 -0.037 0.000 0.745 490 L CB -0.625 41.471 42.059 0.061 0.000 0.900 490 L HN -0.011 nan 8.230 nan 0.000 0.435 491 K N -1.546 118.880 120.400 0.044 0.000 2.044 491 K HA -0.247 4.072 4.320 -0.001 0.000 0.210 491 K C 2.042 178.687 176.600 0.074 0.000 1.049 491 K CA 2.413 58.707 56.287 0.012 0.000 0.927 491 K CB -0.365 31.916 32.500 -0.365 0.000 0.713 491 K HN 0.480 nan 8.250 nan 0.000 0.443 492 Y N -0.397 120.022 120.300 0.199 0.000 2.343 492 Y HA 0.047 4.597 4.550 -0.001 0.000 0.294 492 Y C 2.318 178.404 175.900 0.310 0.000 1.122 492 Y CA 0.387 58.638 58.100 0.252 0.000 1.173 492 Y CB 0.322 38.770 38.460 -0.021 0.000 1.077 492 Y HN 0.070 nan 8.280 nan 0.000 0.542 493 Q N -0.555 119.412 119.800 0.279 0.000 2.376 493 Q HA 0.159 4.499 4.340 -0.001 0.000 0.206 493 Q C 1.115 177.162 176.000 0.079 0.000 0.921 493 Q CA 0.562 56.535 55.803 0.284 0.000 0.911 493 Q CB 0.640 29.527 28.738 0.247 0.000 1.032 493 Q HN 0.589 nan 8.270 nan 0.000 0.510 494 G N 1.511 109.954 108.800 -0.595 0.000 2.225 494 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.264 494 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.264 494 G C -0.265 174.313 174.900 -0.536 0.000 1.060 494 G CA 0.064 44.114 45.100 -1.750 0.000 0.833 494 G HN 0.174 nan 8.290 nan 0.000 0.498 495 L N -0.728 120.373 121.223 -0.202 0.000 2.330 495 L HA 0.814 5.154 4.340 -0.001 0.000 0.271 495 L C 0.968 177.889 176.870 0.085 0.000 1.013 495 L CA -0.981 53.865 54.840 0.011 0.000 0.816 495 L CB 2.074 44.233 42.059 0.168 0.000 1.287 495 L HN 0.539 nan 8.230 nan 0.000 0.435 496 C N -0.300 119.034 119.300 0.057 0.000 2.802 496 C HA 0.754 5.214 4.460 -0.001 0.000 0.307 496 C C -2.734 172.110 174.990 -0.244 0.000 1.222 496 C CA -2.372 56.629 59.018 -0.028 0.000 1.580 496 C CB 2.005 29.696 27.740 -0.083 0.000 2.119 496 C HN 0.493 nan 8.230 nan 0.000 0.479 497 P HA 0.271 nan 4.420 nan 0.000 0.280 497 P C -1.913 175.010 177.300 -0.628 0.000 1.244 497 P CA -0.854 61.705 63.100 -0.901 0.000 0.784 497 P CB 0.966 31.894 31.700 -1.286 0.000 0.913 498 P HA -0.062 nan 4.420 nan 0.000 0.220 498 P C 0.266 177.327 177.300 -0.399 0.000 1.148 498 P CA 0.991 63.712 63.100 -0.632 0.000 0.803 498 P CB 0.446 31.400 31.700 -1.242 0.000 0.782 499 V N 2.599 122.287 119.914 -0.377 0.000 2.604 499 V HA 0.316 4.435 4.120 -0.001 0.000 0.305 499 V C -2.289 173.714 176.094 -0.151 0.000 1.043 499 V CA -2.287 59.911 62.300 -0.169 0.000 0.888 499 V CB 2.169 33.959 31.823 -0.055 0.000 0.995 499 V HN -0.045 nan 8.190 nan 0.000 0.429 500 P HA 0.139 nan 4.420 nan 0.000 0.266 500 P C -0.860 176.398 177.300 -0.069 0.000 1.195 500 P CA -0.302 62.732 63.100 -0.110 0.000 0.768 500 P CB 0.557 32.219 31.700 -0.064 0.000 0.838 501 R N 1.591 122.041 120.500 -0.082 0.000 2.500 501 R HA 0.522 4.861 4.340 -0.001 0.000 0.275 501 R C 0.857 177.176 176.300 0.030 0.000 1.051 501 R CA -0.243 55.855 56.100 -0.003 0.000 1.088 501 R CB -0.062 30.256 30.300 0.029 0.000 1.063 501 R HN 0.565 nan 8.270 nan 0.000 0.511 502 T N -2.289 112.294 114.554 0.049 0.000 2.907 502 T HA 0.216 4.565 4.350 -0.001 0.000 0.290 502 T C -0.043 174.694 174.700 0.061 0.000 1.066 502 T CA -0.940 61.187 62.100 0.045 0.000 1.012 502 T CB 1.749 70.633 68.868 0.027 0.000 1.184 502 T HN 0.293 nan 8.240 nan 0.000 0.522 503 Q N 0.178 120.007 119.800 0.049 0.000 2.286 503 Q HA 0.316 4.655 4.340 -0.001 0.000 0.290 503 Q C 1.313 177.337 176.000 0.040 0.000 1.049 503 Q CA 2.034 57.865 55.803 0.047 0.000 0.923 503 Q CB 0.120 28.874 28.738 0.028 0.000 1.183 503 Q HN 1.419 nan 8.270 nan 0.000 0.383 504 G N 4.258 113.088 108.800 0.050 0.000 2.238 504 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.217 504 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.217 504 G C -0.218 174.722 174.900 0.066 0.000 0.996 504 G CA 0.042 45.164 45.100 0.037 0.000 0.632 504 G HN 0.632 nan 8.290 nan 0.000 0.503 505 D N -0.251 120.205 120.400 0.093 0.000 2.341 505 D HA 0.576 5.215 4.640 -0.001 0.000 0.245 505 D C -0.556 175.875 176.300 0.218 0.000 1.106 505 D CA 0.350 54.416 54.000 0.109 0.000 0.905 505 D CB 1.066 41.930 40.800 0.108 0.000 1.202 505 D HN 0.122 nan 8.370 nan 0.000 0.426 506 F N 2.461 122.369 119.950 -0.070 0.000 2.946 506 F HA 0.152 4.678 4.527 -0.001 0.000 0.375 506 F C 0.489 176.092 175.800 -0.328 0.000 1.320 506 F CA -0.814 57.097 58.000 -0.150 0.000 1.181 506 F CB 0.425 39.352 39.000 -0.122 0.000 2.051 506 F HN 0.074 nan 8.300 nan 0.000 0.622 507 D N 2.330 122.435 120.400 -0.491 0.000 2.182 507 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 507 D C -0.789 174.794 176.300 -1.195 0.000 0.986 507 D CA 1.340 54.963 54.000 -0.628 0.000 0.847 507 D CB -0.828 39.846 40.800 -0.210 0.000 0.942 507 D HN 0.369 nan 8.370 nan 0.000 0.467 508 P HA -0.079 nan 4.420 nan 0.000 0.216 508 P C 1.562 177.958 177.300 -1.507 0.000 1.150 508 P CA 1.471 63.162 63.100 -2.348 0.000 0.837 508 P CB -0.203 29.744 31.700 -2.922 0.000 0.786 509 G N -0.250 107.610 108.800 -1.567 0.000 2.559 509 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.216 509 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.216 509 G C 1.338 176.053 174.900 -0.309 0.000 1.126 509 G CA 0.633 45.319 45.100 -0.689 0.000 0.778 509 G HN 0.341 nan 8.290 nan 0.000 0.543 510 A N -0.796 121.826 122.820 -0.330 0.000 2.251 510 A HA 0.426 4.746 4.320 -0.001 0.000 0.209 510 A C 1.063 179.026 177.584 0.631 0.000 1.187 510 A CA 0.314 52.362 52.037 0.017 0.000 0.823 510 A CB 0.036 18.925 19.000 -0.185 0.000 0.846 510 A HN 0.191 nan 8.150 nan 0.000 0.486 511 K N -0.701 119.778 120.400 0.131 0.000 2.274 511 K HA 0.441 4.761 4.320 -0.001 0.000 0.262 511 K C 0.200 176.621 176.600 -0.298 0.000 0.961 511 K CA -1.168 55.070 56.287 -0.081 0.000 0.833 511 K CB 0.238 32.544 32.500 -0.324 0.000 1.102 511 K HN 0.053 nan 8.250 nan 0.000 0.436 512 F N 3.859 123.481 119.950 -0.547 0.000 2.048 512 F HA -0.340 4.186 4.527 -0.001 0.000 0.296 512 F C 1.113 176.487 175.800 -0.710 0.000 1.109 512 F CA 2.351 59.758 58.000 -0.988 0.000 1.214 512 F CB -0.189 38.257 39.000 -0.923 0.000 0.963 512 F HN 0.882 nan 8.300 nan 0.000 0.491 513 H N -0.291 118.525 119.070 -0.423 0.000 2.489 513 H HA -0.139 4.416 4.556 -0.001 0.000 0.295 513 H C 2.218 177.381 175.328 -0.276 0.000 1.082 513 H CA 1.443 57.319 56.048 -0.287 0.000 1.295 513 H CB -0.367 29.493 29.762 0.164 0.000 1.380 513 H HN 0.244 nan 8.280 nan 0.000 0.548 514 I N 0.984 121.413 120.570 -0.234 0.000 2.094 514 I HA -0.125 4.044 4.170 -0.001 0.000 0.234 514 I C -0.406 175.614 176.117 -0.160 0.000 1.063 514 I CA 0.901 62.106 61.300 -0.157 0.000 1.328 514 I CB -2.160 35.591 38.000 -0.415 0.000 1.058 514 I HN 0.212 nan 8.210 nan 0.000 0.400 515 P HA -0.049 nan 4.420 nan 0.000 0.221 515 P C 1.529 178.584 177.300 -0.409 0.000 1.150 515 P CA 1.236 64.161 63.100 -0.292 0.000 0.800 515 P CB 0.012 31.557 31.700 -0.258 0.000 0.787 516 S N -0.423 114.906 115.700 -0.619 0.000 2.561 516 S HA -0.001 4.468 4.470 -0.001 0.000 0.225 516 S C 0.960 175.360 174.600 -0.333 0.000 0.977 516 S CA 0.656 58.470 58.200 -0.643 0.000 0.926 516 S CB -0.945 61.429 63.200 -1.376 0.000 0.769 516 S HN 0.256 nan 8.310 nan 0.000 0.533 517 S N 0.905 116.500 115.700 -0.174 0.000 3.628 517 S HA -0.148 4.321 4.470 -0.001 0.000 0.373 517 S C -0.249 174.405 174.600 0.090 0.000 0.968 517 S CA 0.026 58.319 58.200 0.156 0.000 1.215 517 S CB -1.500 61.869 63.200 0.283 0.000 0.912 517 S HN 0.262 nan 8.310 nan 0.000 0.495 518 V N 3.182 123.100 119.914 0.005 0.000 2.384 518 V HA 0.448 4.568 4.120 -0.001 0.000 0.287 518 V C -1.811 174.272 176.094 -0.017 0.000 1.020 518 V CA -1.825 60.453 62.300 -0.035 0.000 0.850 518 V CB 1.610 33.496 31.823 0.104 0.000 0.987 518 V HN 0.312 nan 8.190 nan 0.000 0.436 519 P HA 0.031 nan 4.420 nan 0.000 0.266 519 P C -0.410 176.911 177.300 0.035 0.000 1.193 519 P CA 0.410 63.293 63.100 -0.360 0.000 0.770 519 P CB 0.517 31.853 31.700 -0.606 0.000 0.836 520 Y N 1.876 122.180 120.300 0.006 0.000 2.483 520 Y HA 0.141 4.691 4.550 -0.001 0.000 0.258 520 Y C 1.866 177.755 175.900 -0.019 0.000 1.083 520 Y CA 0.192 58.309 58.100 0.030 0.000 1.283 520 Y CB -0.128 38.318 38.460 -0.024 0.000 1.178 520 Y HN 0.165 nan 8.280 nan 0.000 0.515 521 I N 1.692 122.301 120.570 0.064 0.000 2.530 521 I HA -0.305 3.864 4.170 -0.001 0.000 0.257 521 I C 2.438 178.603 176.117 0.080 0.000 1.179 521 I CA 1.433 62.762 61.300 0.048 0.000 1.440 521 I CB -0.381 37.673 38.000 0.090 0.000 1.087 521 I HN 0.239 nan 8.210 nan 0.000 0.440 522 R N -0.557 119.921 120.500 -0.037 0.000 2.117 522 R HA -0.240 4.099 4.340 -0.001 0.000 0.243 522 R C 2.071 178.324 176.300 -0.079 0.000 1.143 522 R CA 2.154 58.227 56.100 -0.045 0.000 0.968 522 R CB -1.443 28.686 30.300 -0.285 0.000 0.863 522 R HN 0.396 nan 8.270 nan 0.000 0.444 523 Y N -0.086 120.248 120.300 0.057 0.000 2.314 523 Y HA -0.096 4.454 4.550 -0.001 0.000 0.293 523 Y C 2.221 178.266 175.900 0.242 0.000 1.129 523 Y CA 0.727 58.904 58.100 0.128 0.000 1.201 523 Y CB -0.276 38.116 38.460 -0.113 0.000 0.999 523 Y HN 0.027 nan 8.280 nan 0.000 0.541 524 F N 0.194 120.216 119.950 0.121 0.000 2.084 524 F HA -0.183 4.343 4.527 -0.001 0.000 0.296 524 F C 2.118 178.011 175.800 0.155 0.000 1.111 524 F CA 1.171 59.222 58.000 0.085 0.000 1.224 524 F CB -0.708 38.308 39.000 0.027 0.000 0.991 524 F HN -0.214 nan 8.300 nan 0.000 0.471 525 V N -0.258 119.777 119.914 0.201 0.000 2.287 525 V HA -0.330 3.789 4.120 -0.001 0.000 0.248 525 V C 2.699 178.793 176.094 0.000 0.000 1.053 525 V CA 2.104 64.439 62.300 0.058 0.000 1.027 525 V CB -1.240 30.661 31.823 0.130 0.000 0.646 525 V HN 0.555 nan 8.190 nan 0.000 0.447 526 S N -0.389 115.393 115.700 0.136 0.000 2.365 526 S HA -0.231 4.238 4.470 -0.001 0.000 0.225 526 S C 1.861 176.532 174.600 0.117 0.000 1.039 526 S CA 1.959 60.240 58.200 0.135 0.000 1.033 526 S CB -0.453 62.950 63.200 0.339 0.000 0.887 526 S HN 0.476 nan 8.310 nan 0.000 0.447 527 F N 1.362 121.314 119.950 0.004 0.000 2.269 527 F HA 0.054 4.580 4.527 -0.001 0.000 0.301 527 F C 2.089 177.896 175.800 0.012 0.000 1.082 527 F CA 0.332 58.358 58.000 0.044 0.000 1.360 527 F CB -0.351 38.751 39.000 0.170 0.000 1.041 527 F HN 0.266 nan 8.300 nan 0.000 0.512 528 I N 0.296 120.856 120.570 -0.017 0.000 2.235 528 I HA -0.190 3.979 4.170 -0.001 0.000 0.241 528 I C 2.526 178.571 176.117 -0.121 0.000 1.085 528 I CA 1.271 62.511 61.300 -0.101 0.000 1.378 528 I CB -1.253 36.600 38.000 -0.245 0.000 1.076 528 I HN 0.131 nan 8.210 nan 0.000 0.415 529 I N 0.177 120.569 120.570 -0.296 0.000 2.493 529 I HA -0.258 3.912 4.170 -0.001 0.000 0.254 529 I C 2.408 177.955 176.117 -0.951 0.000 1.160 529 I CA 1.035 61.963 61.300 -0.621 0.000 1.445 529 I CB -0.731 36.752 38.000 -0.863 0.000 1.086 529 I HN 0.329 nan 8.210 nan 0.000 0.433 530 Q N 1.037 120.440 119.800 -0.662 0.000 2.226 530 Q HA -0.158 4.182 4.340 -0.001 0.000 0.204 530 Q C 1.792 177.494 176.000 -0.497 0.000 0.975 530 Q CA 1.601 57.030 55.803 -0.623 0.000 0.866 530 Q CB -0.730 27.674 28.738 -0.557 0.000 0.915 530 Q HN 0.536 nan 8.270 nan 0.000 0.440 531 F N 1.413 121.194 119.950 -0.282 0.000 2.367 531 F HA 0.005 4.532 4.527 -0.001 0.000 0.298 531 F C 2.462 178.248 175.800 -0.023 0.000 1.094 531 F CA 0.997 58.913 58.000 -0.141 0.000 1.409 531 F CB 0.039 38.953 39.000 -0.142 0.000 1.064 531 F HN 0.069 nan 8.300 nan 0.000 0.528 532 Q N -0.675 119.149 119.800 0.040 0.000 2.079 532 Q HA -0.157 4.182 4.340 -0.001 0.000 0.200 532 Q C 2.091 178.224 176.000 0.223 0.000 0.974 532 Q CA 1.324 57.183 55.803 0.093 0.000 0.840 532 Q CB -0.237 28.509 28.738 0.014 0.000 0.898 532 Q HN 0.309 nan 8.270 nan 0.000 0.430 533 F N -0.287 119.650 119.950 -0.023 0.000 2.113 533 F HA -0.160 4.366 4.527 -0.001 0.000 0.297 533 F C 2.299 178.087 175.800 -0.020 0.000 1.103 533 F CA 1.458 59.429 58.000 -0.048 0.000 1.248 533 F CB -1.360 37.568 39.000 -0.120 0.000 0.999 533 F HN 0.234 nan 8.300 nan 0.000 0.475 534 H N 0.242 119.341 119.070 0.049 0.000 2.290 534 H HA -0.184 4.371 4.556 -0.001 0.000 0.298 534 H C 2.282 177.635 175.328 0.043 0.000 1.087 534 H CA 2.372 58.401 56.048 -0.032 0.000 1.291 534 H CB -0.350 29.313 29.762 -0.164 0.000 1.369 534 H HN 0.366 nan 8.280 nan 0.000 0.492 535 E N -0.285 119.971 120.200 0.093 0.000 2.038 535 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 535 E C 2.322 178.938 176.600 0.026 0.000 1.000 535 E CA 1.178 57.609 56.400 0.051 0.000 0.803 535 E CB -0.327 29.459 29.700 0.144 0.000 0.750 535 E HN 0.577 nan 8.360 nan 0.000 0.448 536 A N 1.102 123.967 122.820 0.075 0.000 1.877 536 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 536 A C 2.268 179.859 177.584 0.011 0.000 1.186 536 A CA 1.383 53.456 52.037 0.059 0.000 0.620 536 A CB -0.756 18.301 19.000 0.094 0.000 0.822 536 A HN 0.333 nan 8.150 nan 0.000 0.443 537 L N -0.815 120.403 121.223 -0.008 0.000 2.083 537 L HA -0.247 4.092 4.340 -0.001 0.000 0.209 537 L C 2.741 179.574 176.870 -0.061 0.000 1.083 537 L CA 1.264 56.082 54.840 -0.038 0.000 0.752 537 L CB -0.792 41.245 42.059 -0.037 0.000 0.899 537 L HN 0.499 nan 8.230 nan 0.000 0.433 538 c N -0.840 117.686 118.600 -0.124 0.000 2.429 538 c HA -0.163 4.406 4.570 -0.001 0.000 0.277 538 c C 2.887 176.974 174.090 -0.005 0.000 1.262 538 c CA 0.566 56.821 56.329 -0.123 0.000 1.733 538 c CB -0.737 41.611 42.510 -0.270 0.000 2.010 538 c HN 0.549 nan 8.230 nan 0.000 0.483 539 Q N 1.138 120.938 119.800 0.000 0.000 2.124 539 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 539 Q C 2.307 178.314 176.000 0.011 0.000 0.977 539 Q CA 2.047 57.862 55.803 0.021 0.000 0.850 539 Q CB -0.330 28.423 28.738 0.025 0.000 0.901 539 Q HN 0.648 nan 8.270 nan 0.000 0.429 540 A N 0.401 123.221 122.820 0.000 0.000 1.969 540 A HA 0.022 4.341 4.320 -0.001 0.000 0.218 540 A C 2.110 179.690 177.584 -0.006 0.000 1.169 540 A CA 1.494 53.528 52.037 -0.005 0.000 0.635 540 A CB -0.491 18.501 19.000 -0.013 0.000 0.810 540 A HN 0.441 nan 8.150 nan 0.000 0.445 541 A N -1.920 120.898 122.820 -0.003 0.000 2.208 541 A HA 0.411 4.730 4.320 -0.001 0.000 0.209 541 A C 1.767 179.361 177.584 0.017 0.000 1.161 541 A CA 1.205 53.242 52.037 0.001 0.000 0.782 541 A CB -0.776 18.224 19.000 -0.001 0.000 0.816 541 A HN 1.832 nan 8.150 nan 0.000 0.477 542 G N -1.298 107.515 108.800 0.022 0.000 2.141 542 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.242 542 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.242 542 G C 0.109 175.021 174.900 0.021 0.000 0.982 542 G CA 0.387 45.495 45.100 0.013 0.000 0.662 542 G HN 1.009 nan 8.290 nan 0.000 0.527 543 H N 1.601 120.646 119.070 -0.042 0.000 2.928 543 H HA 0.519 5.074 4.556 -0.001 0.000 0.338 543 H C 0.912 176.213 175.328 -0.044 0.000 1.047 543 H CA 1.433 57.451 56.048 -0.049 0.000 1.435 543 H CB 0.651 30.373 29.762 -0.067 0.000 1.428 543 H HN 0.471 nan 8.280 nan 0.000 0.590 544 T N 2.061 116.197 114.554 -0.696 0.000 2.924 544 T HA 0.678 5.027 4.350 -0.001 0.000 0.291 544 T C 0.391 174.717 174.700 -0.623 0.000 1.045 544 T CA -0.132 61.691 62.100 -0.463 0.000 1.015 544 T CB 1.603 70.325 68.868 -0.244 0.000 1.103 544 T HN 1.208 nan 8.240 nan 0.000 0.496 545 G N 1.890 110.513 108.800 -0.295 0.000 2.660 545 G HA2 0.028 3.988 3.960 -0.001 0.000 0.247 545 G HA3 0.028 3.988 3.960 -0.001 0.000 0.247 545 G C -2.821 172.039 174.900 -0.067 0.000 1.328 545 G CA -0.807 44.184 45.100 -0.181 0.000 0.884 545 G HN 0.902 nan 8.290 nan 0.000 0.531 546 P HA 0.164 nan 4.420 nan 0.000 0.261 546 P C 1.212 178.546 177.300 0.057 0.000 1.165 546 P CA -0.113 62.990 63.100 0.005 0.000 0.759 546 P CB 0.416 32.049 31.700 -0.111 0.000 0.772 547 L N 4.749 126.028 121.223 0.093 0.000 2.083 547 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 547 L C 2.239 179.132 176.870 0.037 0.000 1.083 547 L CA 1.772 56.684 54.840 0.120 0.000 0.752 547 L CB -1.205 40.980 42.059 0.211 0.000 0.899 547 L HN 0.562 nan 8.230 nan 0.000 0.433 548 H N -0.979 117.940 119.070 -0.253 0.000 2.543 548 H HA -0.096 4.459 4.556 -0.001 0.000 0.286 548 H C 1.285 176.589 175.328 -0.040 0.000 1.037 548 H CA 1.111 56.884 56.048 -0.459 0.000 1.250 548 H CB -0.313 28.911 29.762 -0.896 0.000 1.373 548 H HN 0.438 nan 8.280 nan 0.000 0.580 549 K N 0.467 120.580 120.400 -0.477 0.000 2.404 549 K HA 0.091 4.411 4.320 -0.001 0.000 0.194 549 K C 0.575 177.001 176.600 -0.291 0.000 1.023 549 K CA 0.006 56.089 56.287 -0.340 0.000 1.094 549 K CB 0.381 32.704 32.500 -0.295 0.000 0.841 549 K HN 0.189 nan 8.250 nan 0.000 0.523 550 c N 2.166 120.467 118.600 -0.499 0.000 2.644 550 c HA 0.181 4.750 4.570 -0.001 0.000 0.417 550 c C -0.290 173.673 174.090 -0.212 0.000 1.304 550 c CA -0.272 55.571 56.329 -0.811 0.000 2.035 550 c CB -0.017 41.918 42.510 -0.958 0.000 2.673 550 c HN 0.322 nan 8.230 nan 0.000 0.602 551 D N 4.109 124.421 120.400 -0.145 0.000 2.575 551 D HA 0.246 4.885 4.640 -0.001 0.000 0.250 551 D C 0.507 176.851 176.300 0.073 0.000 1.279 551 D CA -0.522 53.503 54.000 0.042 0.000 0.925 551 D CB 0.901 41.747 40.800 0.077 0.000 1.261 551 D HN 0.676 nan 8.370 nan 0.000 0.567 552 I N 1.324 121.975 120.570 0.136 0.000 3.749 552 I HA 0.237 4.406 4.170 -0.001 0.000 0.314 552 I C 0.338 176.527 176.117 0.120 0.000 1.267 552 I CA -0.554 60.810 61.300 0.106 0.000 1.169 552 I CB -0.502 37.550 38.000 0.086 0.000 1.009 552 I HN 0.173 nan 8.210 nan 0.000 0.444 553 Y N 3.379 123.659 120.300 -0.033 0.000 2.810 553 Y HA -0.120 4.429 4.550 -0.001 0.000 0.332 553 Y C 1.483 177.235 175.900 -0.247 0.000 1.243 553 Y CA 1.082 58.932 58.100 -0.418 0.000 1.537 553 Y CB 0.228 38.425 38.460 -0.439 0.000 1.265 553 Y HN 0.562 nan 8.280 nan 0.000 0.572 554 Q N 2.190 121.386 119.800 -1.007 0.000 2.362 554 Q HA -0.287 4.053 4.340 -0.001 0.000 0.220 554 Q C -0.510 175.311 176.000 -0.298 0.000 0.713 554 Q CA 0.959 56.353 55.803 -0.681 0.000 1.345 554 Q CB -1.371 27.009 28.738 -0.596 0.000 1.570 554 Q HN 0.655 nan 8.270 nan 0.000 0.701 555 S N 0.068 115.649 115.700 -0.198 0.000 2.455 555 S HA 0.190 4.660 4.470 -0.001 0.000 0.278 555 S C 0.945 175.491 174.600 -0.091 0.000 1.216 555 S CA -0.427 57.710 58.200 -0.104 0.000 1.055 555 S CB 0.814 63.981 63.200 -0.055 0.000 0.939 555 S HN 0.272 nan 8.310 nan 0.000 0.494 556 K N 4.170 124.523 120.400 -0.078 0.000 2.167 556 K HA 0.020 4.339 4.320 -0.001 0.000 0.203 556 K C 1.631 178.203 176.600 -0.046 0.000 1.052 556 K CA 1.051 57.301 56.287 -0.062 0.000 0.956 556 K CB -0.298 32.169 32.500 -0.055 0.000 0.735 556 K HN 0.630 nan 8.250 nan 0.000 0.451 557 E N 1.137 121.313 120.200 -0.040 0.000 2.110 557 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 557 E C 1.891 178.469 176.600 -0.036 0.000 0.988 557 E CA 1.369 57.750 56.400 -0.032 0.000 0.804 557 E CB -0.255 29.430 29.700 -0.025 0.000 0.745 557 E HN 0.306 nan 8.360 nan 0.000 0.458 558 A N 0.389 123.186 122.820 -0.040 0.000 1.855 558 A HA -0.031 4.288 4.320 -0.001 0.000 0.215 558 A C 2.484 180.037 177.584 -0.052 0.000 1.191 558 A CA 1.648 53.658 52.037 -0.044 0.000 0.613 558 A CB -1.260 17.719 19.000 -0.034 0.000 0.829 558 A HN 0.356 nan 8.150 nan 0.000 0.442 559 G N -0.954 107.818 108.800 -0.046 0.000 2.450 559 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.220 559 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.220 559 G C 1.602 176.473 174.900 -0.047 0.000 1.130 559 G CA 1.427 46.503 45.100 -0.041 0.000 0.760 559 G HN 0.536 nan 8.290 nan 0.000 0.557 560 Q N 0.475 120.249 119.800 -0.044 0.000 2.079 560 Q HA 0.030 4.369 4.340 -0.001 0.000 0.200 560 Q C 2.658 178.629 176.000 -0.049 0.000 0.974 560 Q CA 1.284 57.063 55.803 -0.040 0.000 0.840 560 Q CB -0.265 28.454 28.738 -0.031 0.000 0.898 560 Q HN 0.474 nan 8.270 nan 0.000 0.430 561 R N -0.519 119.946 120.500 -0.058 0.000 2.075 561 R HA -0.048 4.292 4.340 -0.001 0.000 0.232 561 R C 2.389 178.622 176.300 -0.111 0.000 1.126 561 R CA 1.311 57.369 56.100 -0.071 0.000 0.963 561 R CB -0.386 29.871 30.300 -0.072 0.000 0.858 561 R HN 0.305 nan 8.270 nan 0.000 0.435 562 L N 0.190 121.332 121.223 -0.135 0.000 2.017 562 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 562 L C 2.729 179.500 176.870 -0.166 0.000 1.073 562 L CA 1.258 55.984 54.840 -0.189 0.000 0.745 562 L CB -0.643 41.315 42.059 -0.168 0.000 0.894 562 L HN 0.234 nan 8.230 nan 0.000 0.432 563 A N 0.364 123.117 122.820 -0.112 0.000 1.865 563 A HA -0.280 4.040 4.320 -0.001 0.000 0.217 563 A C 2.451 179.997 177.584 -0.065 0.000 1.191 563 A CA 2.698 54.681 52.037 -0.091 0.000 0.623 563 A CB -1.205 17.762 19.000 -0.056 0.000 0.826 563 A HN 0.538 nan 8.150 nan 0.000 0.444 564 T N -2.109 112.418 114.554 -0.044 0.000 2.788 564 T HA 0.027 4.377 4.350 -0.001 0.000 0.268 564 T C 1.870 176.569 174.700 -0.001 0.000 1.044 564 T CA 1.933 64.024 62.100 -0.014 0.000 1.139 564 T CB -0.559 68.303 68.868 -0.009 0.000 0.867 564 T HN 0.618 nan 8.240 nan 0.000 0.454 565 A N 1.623 124.427 122.820 -0.027 0.000 1.872 565 A HA 0.231 4.550 4.320 -0.001 0.000 0.214 565 A C 2.568 180.172 177.584 0.034 0.000 1.187 565 A CA 1.441 53.486 52.037 0.012 0.000 0.614 565 A CB -0.723 18.267 19.000 -0.017 0.000 0.826 565 A HN 0.542 nan 8.150 nan 0.000 0.442 566 M N -0.589 118.946 119.600 -0.108 0.000 2.213 566 M HA -0.146 4.334 4.480 -0.001 0.000 0.263 566 M C 1.965 178.363 176.300 0.163 0.000 1.062 566 M CA 1.419 56.607 55.300 -0.187 0.000 1.105 566 M CB -0.356 31.896 32.600 -0.580 0.000 1.385 566 M HN 0.324 nan 8.290 nan 0.000 0.417 567 K N 0.581 121.039 120.400 0.097 0.000 2.209 567 K HA -0.091 4.229 4.320 -0.001 0.000 0.204 567 K C 1.749 178.473 176.600 0.206 0.000 1.048 567 K CA 0.972 57.353 56.287 0.156 0.000 0.940 567 K CB -0.239 32.310 32.500 0.083 0.000 0.729 567 K HN 0.380 nan 8.250 nan 0.000 0.451 568 L N 0.124 121.457 121.223 0.183 0.000 2.275 568 L HA -0.103 4.236 4.340 -0.001 0.000 0.215 568 L C 1.580 178.570 176.870 0.200 0.000 1.119 568 L CA 0.678 55.611 54.840 0.155 0.000 0.790 568 L CB -1.105 41.021 42.059 0.112 0.000 0.919 568 L HN 0.414 nan 8.230 nan 0.000 0.443 569 G N 0.709 109.722 108.800 0.355 0.000 2.634 569 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.309 569 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.309 569 G C 0.138 175.173 174.900 0.224 0.000 1.265 569 G CA 0.661 45.938 45.100 0.296 0.000 0.998 569 G HN 0.253 nan 8.290 nan 0.000 0.551 570 F N 2.286 122.203 119.950 -0.056 0.000 2.750 570 F HA 0.471 4.997 4.527 -0.001 0.000 0.297 570 F C 2.228 178.023 175.800 -0.008 0.000 1.138 570 F CA 0.655 58.635 58.000 -0.033 0.000 1.346 570 F CB 0.094 39.058 39.000 -0.061 0.000 0.965 570 F HN 0.499 nan 8.300 nan 0.000 0.514 571 S N -0.225 115.448 115.700 -0.045 0.000 2.489 571 S HA 0.184 4.653 4.470 -0.001 0.000 0.228 571 S C 0.800 175.302 174.600 -0.163 0.000 0.995 571 S CA 0.132 58.278 58.200 -0.090 0.000 0.934 571 S CB -0.001 63.194 63.200 -0.008 0.000 0.771 571 S HN 0.163 nan 8.310 nan 0.000 0.522 572 R N 0.743 121.127 120.500 -0.194 0.000 2.774 572 R HA 0.540 4.880 4.340 -0.001 0.000 0.272 572 R C -3.397 172.769 176.300 -0.224 0.000 1.000 572 R CA -2.327 53.665 56.100 -0.180 0.000 0.906 572 R CB 0.023 30.270 30.300 -0.089 0.000 1.227 572 R HN 0.051 nan 8.270 nan 0.000 0.468 573 P HA -0.036 nan 4.420 nan 0.000 0.266 573 P C 1.075 178.291 177.300 -0.139 0.000 1.195 573 P CA -0.120 62.863 63.100 -0.196 0.000 0.768 573 P CB 0.277 31.846 31.700 -0.218 0.000 0.838 574 W N 3.919 125.164 121.300 -0.091 0.000 2.331 574 W HA -0.100 4.559 4.660 -0.001 0.000 0.291 574 W C -1.707 174.804 176.519 -0.014 0.000 1.214 574 W CA 1.037 58.282 57.345 -0.167 0.000 1.228 574 W CB -2.916 26.412 29.460 -0.221 0.000 1.135 574 W HN 0.333 nan 8.180 nan 0.000 0.537 575 P HA -0.169 nan 4.420 nan 0.000 0.221 575 P C 1.380 178.682 177.300 0.003 0.000 1.145 575 P CA 2.454 65.356 63.100 -0.331 0.000 0.795 575 P CB -0.248 31.085 31.700 -0.611 0.000 0.775 576 E N -0.606 119.582 120.200 -0.019 0.000 2.072 576 E HA -0.110 4.240 4.350 -0.001 0.000 0.190 576 E C 2.096 178.763 176.600 0.110 0.000 0.982 576 E CA 1.096 57.513 56.400 0.028 0.000 0.803 576 E CB -0.476 29.218 29.700 -0.011 0.000 0.755 576 E HN 0.157 nan 8.360 nan 0.000 0.453 577 A N 1.128 124.039 122.820 0.152 0.000 1.930 577 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 577 A C 2.113 179.939 177.584 0.403 0.000 1.175 577 A CA 1.462 53.638 52.037 0.232 0.000 0.627 577 A CB -0.406 18.705 19.000 0.185 0.000 0.815 577 A HN 0.204 nan 8.150 nan 0.000 0.443 578 M N -0.346 119.612 119.600 0.597 0.000 2.080 578 M HA -0.192 4.287 4.480 -0.001 0.000 0.260 578 M C 2.125 178.639 176.300 0.356 0.000 1.068 578 M CA 2.470 58.167 55.300 0.663 0.000 1.109 578 M CB -0.646 32.455 32.600 0.835 0.000 1.342 578 M HN 0.475 nan 8.290 nan 0.000 0.405 579 Q N -0.122 119.828 119.800 0.249 0.000 2.050 579 Q HA -0.127 4.213 4.340 -0.001 0.000 0.202 579 Q C 1.961 178.030 176.000 0.114 0.000 0.980 579 Q CA 2.193 58.088 55.803 0.153 0.000 0.840 579 Q CB -0.487 28.310 28.738 0.099 0.000 0.898 579 Q HN 0.675 nan 8.270 nan 0.000 0.424 580 L N -0.244 121.041 121.223 0.103 0.000 2.079 580 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 580 L C 2.269 179.157 176.870 0.030 0.000 1.081 580 L CA 1.202 56.077 54.840 0.058 0.000 0.752 580 L CB -0.396 41.693 42.059 0.051 0.000 0.896 580 L HN 0.352 nan 8.230 nan 0.000 0.433 581 I N -0.975 119.611 120.570 0.026 0.000 2.339 581 I HA -0.176 3.993 4.170 -0.001 0.000 0.245 581 I C 2.438 178.569 176.117 0.022 0.000 1.096 581 I CA 1.724 62.990 61.300 -0.058 0.000 1.408 581 I CB -0.329 37.497 38.000 -0.290 0.000 1.092 581 I HN 0.332 nan 8.210 nan 0.000 0.423 582 T N -2.707 111.914 114.554 0.110 0.000 3.022 582 T HA 0.319 4.668 4.350 -0.001 0.000 0.250 582 T C 1.535 176.303 174.700 0.113 0.000 1.060 582 T CA 0.488 62.672 62.100 0.140 0.000 1.013 582 T CB 0.764 69.763 68.868 0.219 0.000 0.982 582 T HN 0.506 nan 8.240 nan 0.000 0.508 583 G N 1.345 110.205 108.800 0.100 0.000 2.176 583 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.253 583 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.253 583 G C -0.175 174.780 174.900 0.091 0.000 0.979 583 G CA 0.388 45.537 45.100 0.081 0.000 0.641 583 G HN 1.054 nan 8.290 nan 0.000 0.530 584 Q N -1.513 118.360 119.800 0.122 0.000 2.501 584 Q HA 0.789 5.128 4.340 -0.001 0.000 0.288 584 Q C -2.641 173.455 176.000 0.161 0.000 1.051 584 Q CA -1.313 54.564 55.803 0.123 0.000 0.788 584 Q CB 2.015 30.827 28.738 0.123 0.000 1.469 584 Q HN 0.095 nan 8.270 nan 0.000 0.416 585 P HA 0.152 nan 4.420 nan 0.000 0.272 585 P C -0.830 176.608 177.300 0.229 0.000 1.276 585 P CA 0.253 63.443 63.100 0.150 0.000 0.871 585 P CB 0.580 32.304 31.700 0.041 0.000 1.313 586 N N 0.253 119.109 118.700 0.261 0.000 2.485 586 N HA 0.325 5.065 4.740 -0.001 0.000 0.280 586 N C 0.333 176.092 175.510 0.415 0.000 1.205 586 N CA -0.638 52.625 53.050 0.354 0.000 0.959 586 N CB 0.668 39.298 38.487 0.239 0.000 1.206 586 N HN -0.055 nan 8.380 nan 0.000 0.545 587 M N 0.368 120.222 119.600 0.424 0.000 2.274 587 M HA 0.236 4.715 4.480 -0.001 0.000 0.344 587 M C 0.172 176.580 176.300 0.181 0.000 1.161 587 M CA 0.110 55.564 55.300 0.256 0.000 1.126 587 M CB 1.087 33.803 32.600 0.192 0.000 1.522 587 M HN 0.439 nan 8.290 nan 0.000 0.461 588 S N 0.609 116.378 115.700 0.115 0.000 2.533 588 S HA 0.651 5.120 4.470 -0.001 0.000 0.271 588 S C -0.133 174.500 174.600 0.055 0.000 1.143 588 S CA -0.384 57.873 58.200 0.096 0.000 0.891 588 S CB 1.697 64.963 63.200 0.110 0.000 1.105 588 S HN 0.743 nan 8.310 nan 0.000 0.468 589 A N 2.741 125.587 122.820 0.043 0.000 2.251 589 A HA 0.261 4.580 4.320 -0.001 0.000 0.209 589 A C 1.850 179.452 177.584 0.029 0.000 1.187 589 A CA 0.904 52.947 52.037 0.011 0.000 0.823 589 A CB -0.587 18.409 19.000 -0.007 0.000 0.846 589 A HN 0.742 nan 8.150 nan 0.000 0.486 590 S N 0.509 116.243 115.700 0.057 0.000 2.359 590 S HA -0.159 4.310 4.470 -0.001 0.000 0.224 590 S C 2.345 177.000 174.600 0.092 0.000 1.035 590 S CA 1.399 59.641 58.200 0.071 0.000 1.018 590 S CB -0.364 62.884 63.200 0.079 0.000 0.876 590 S HN 0.809 nan 8.310 nan 0.000 0.448 591 A N 1.466 124.354 122.820 0.112 0.000 1.877 591 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 591 A C 2.154 179.842 177.584 0.174 0.000 1.186 591 A CA 1.866 54.005 52.037 0.170 0.000 0.620 591 A CB -0.687 18.434 19.000 0.202 0.000 0.822 591 A HN 0.530 nan 8.150 nan 0.000 0.443 592 M N -0.552 119.081 119.600 0.055 0.000 2.117 592 M HA -0.104 4.375 4.480 -0.001 0.000 0.262 592 M C 1.899 178.197 176.300 -0.004 0.000 1.065 592 M CA 1.587 56.738 55.300 -0.248 0.000 1.114 592 M CB -0.277 32.095 32.600 -0.380 0.000 1.361 592 M HN 0.426 nan 8.290 nan 0.000 0.408 593 L N -1.010 120.241 121.223 0.047 0.000 2.046 593 L HA -0.199 4.140 4.340 -0.001 0.000 0.208 593 L C 2.706 179.659 176.870 0.138 0.000 1.077 593 L CA 1.515 56.411 54.840 0.093 0.000 0.747 593 L CB -0.895 41.198 42.059 0.056 0.000 0.896 593 L HN 0.406 nan 8.230 nan 0.000 0.432 594 S N -0.781 114.998 115.700 0.132 0.000 2.368 594 S HA -0.277 4.192 4.470 -0.001 0.000 0.225 594 S C 2.082 176.775 174.600 0.156 0.000 1.030 594 S CA 1.244 59.525 58.200 0.136 0.000 0.999 594 S CB -0.418 62.864 63.200 0.138 0.000 0.844 594 S HN 0.458 nan 8.310 nan 0.000 0.459 595 Y N 0.580 120.897 120.300 0.030 0.000 2.128 595 Y HA -0.132 4.417 4.550 -0.001 0.000 0.284 595 Y C 1.466 177.216 175.900 -0.249 0.000 1.154 595 Y CA 2.125 60.182 58.100 -0.072 0.000 1.149 595 Y CB -0.342 38.021 38.460 -0.163 0.000 0.976 595 Y HN 0.385 nan 8.280 nan 0.000 0.505 596 F N -0.245 119.805 119.950 0.168 0.000 2.765 596 F HA 0.125 4.651 4.527 -0.001 0.000 0.302 596 F C 1.986 177.785 175.800 -0.001 0.000 1.111 596 F CA 0.157 58.185 58.000 0.045 0.000 1.359 596 F CB -0.092 38.922 39.000 0.023 0.000 1.097 596 F HN -0.088 nan 8.300 nan 0.000 0.577 597 K N 2.127 122.616 120.400 0.149 0.000 2.052 597 K HA -0.205 4.114 4.320 -0.001 0.000 0.215 597 K C -1.017 175.640 176.600 0.094 0.000 1.053 597 K CA 2.195 58.548 56.287 0.109 0.000 0.934 597 K CB -1.609 30.943 32.500 0.087 0.000 0.717 597 K HN 0.069 nan 8.250 nan 0.000 0.450 598 P HA -0.150 nan 4.420 nan 0.000 0.216 598 P C 1.315 178.682 177.300 0.111 0.000 1.150 598 P CA 1.095 64.228 63.100 0.056 0.000 0.843 598 P CB -0.027 31.652 31.700 -0.035 0.000 0.787 599 L N -1.130 120.156 121.223 0.106 0.000 2.109 599 L HA -0.070 4.270 4.340 -0.001 0.000 0.207 599 L C 2.110 179.102 176.870 0.203 0.000 1.086 599 L CA 1.501 56.444 54.840 0.172 0.000 0.760 599 L CB -1.455 40.718 42.059 0.191 0.000 0.910 599 L HN -0.140 nan 8.230 nan 0.000 0.437 600 L N -0.362 120.954 121.223 0.154 0.000 2.042 600 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 600 L C 2.021 178.951 176.870 0.100 0.000 1.076 600 L CA 1.965 56.869 54.840 0.107 0.000 0.749 600 L CB -1.028 41.081 42.059 0.084 0.000 0.893 600 L HN 0.314 nan 8.230 nan 0.000 0.432 601 D N -1.400 119.069 120.400 0.115 0.000 2.117 601 D HA -0.250 4.389 4.640 -0.001 0.000 0.197 601 D C 1.794 178.160 176.300 0.109 0.000 0.987 601 D CA 1.536 55.594 54.000 0.096 0.000 0.829 601 D CB -0.494 40.368 40.800 0.103 0.000 0.961 601 D HN 0.590 nan 8.370 nan 0.000 0.460 602 W N 1.523 122.829 121.300 0.011 0.000 2.355 602 W HA -0.081 4.579 4.660 -0.001 0.000 0.309 602 W C 2.105 178.604 176.519 -0.034 0.000 1.206 602 W CA 1.029 58.378 57.345 0.006 0.000 1.284 602 W CB -0.438 29.033 29.460 0.019 0.000 1.145 602 W HN -0.105 nan 8.180 nan 0.000 0.502 603 L N 0.312 121.593 121.223 0.097 0.000 2.042 603 L HA -0.233 4.107 4.340 -0.001 0.000 0.210 603 L C 2.728 179.505 176.870 -0.154 0.000 1.076 603 L CA 1.687 56.476 54.840 -0.085 0.000 0.749 603 L CB -0.836 41.258 42.059 0.058 0.000 0.893 603 L HN -0.060 nan 8.230 nan 0.000 0.432 604 R N -0.851 119.600 120.500 -0.082 0.000 2.081 604 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 604 R C 2.297 178.520 176.300 -0.129 0.000 1.131 604 R CA 1.944 58.000 56.100 -0.074 0.000 0.960 604 R CB -0.553 29.726 30.300 -0.035 0.000 0.856 604 R HN 0.337 nan 8.270 nan 0.000 0.436 605 T N 0.500 114.940 114.554 -0.189 0.000 2.708 605 T HA -0.172 4.177 4.350 -0.001 0.000 0.266 605 T C 1.630 176.147 174.700 -0.305 0.000 1.037 605 T CA 1.619 63.586 62.100 -0.222 0.000 1.146 605 T CB -0.173 68.558 68.868 -0.230 0.000 0.865 605 T HN 0.276 nan 8.240 nan 0.000 0.435 606 E N 1.796 121.692 120.200 -0.507 0.000 2.031 606 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 606 E C 2.109 178.641 176.600 -0.113 0.000 0.994 606 E CA 1.352 57.472 56.400 -0.468 0.000 0.800 606 E CB -0.360 28.779 29.700 -0.934 0.000 0.752 606 E HN 0.275 nan 8.360 nan 0.000 0.447 607 N N 0.561 119.214 118.700 -0.079 0.000 2.166 607 N HA -0.178 4.561 4.740 -0.001 0.000 0.186 607 N C 1.696 177.209 175.510 0.005 0.000 1.019 607 N CA 1.308 54.381 53.050 0.037 0.000 0.856 607 N CB -0.318 38.190 38.487 0.034 0.000 0.993 607 N HN 0.453 nan 8.380 nan 0.000 0.426 608 E N 1.006 121.170 120.200 -0.059 0.000 2.051 608 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 608 E C 1.935 178.483 176.600 -0.085 0.000 0.991 608 E CA 0.982 57.344 56.400 -0.063 0.000 0.799 608 E CB -0.017 29.638 29.700 -0.076 0.000 0.748 608 E HN 0.294 nan 8.360 nan 0.000 0.449 609 L N -0.867 120.262 121.223 -0.156 0.000 2.275 609 L HA -0.043 4.297 4.340 -0.001 0.000 0.215 609 L C 1.825 178.536 176.870 -0.266 0.000 1.119 609 L CA 1.624 56.329 54.840 -0.225 0.000 0.790 609 L CB -0.540 41.334 42.059 -0.309 0.000 0.919 609 L HN 0.103 nan 8.230 nan 0.000 0.443 610 H N 0.771 119.803 119.070 -0.064 0.000 2.539 610 H HA 0.337 4.892 4.556 -0.001 0.000 0.269 610 H C 1.478 176.775 175.328 -0.051 0.000 0.980 610 H CA 0.343 56.358 56.048 -0.055 0.000 1.152 610 H CB 0.194 29.923 29.762 -0.054 0.000 1.407 610 H HN 0.523 nan 8.280 nan 0.000 0.564 611 G N 2.124 110.946 108.800 0.037 0.000 2.273 611 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.280 611 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.280 611 G C -0.091 174.821 174.900 0.020 0.000 1.047 611 G CA 0.037 45.145 45.100 0.013 0.000 0.869 611 G HN 0.293 nan 8.290 nan 0.000 0.502 612 E N -0.143 120.078 120.200 0.035 0.000 2.373 612 E HA 0.216 4.566 4.350 -0.001 0.000 0.267 612 E C 0.516 177.129 176.600 0.022 0.000 1.032 612 E CA -0.131 56.287 56.400 0.030 0.000 0.889 612 E CB 1.121 30.852 29.700 0.051 0.000 0.984 612 E HN 0.492 nan 8.360 nan 0.000 0.425 613 K N 4.108 124.524 120.400 0.026 0.000 2.299 613 K HA 0.224 4.543 4.320 -0.001 0.000 0.268 613 K C -0.171 176.447 176.600 0.030 0.000 1.075 613 K CA -0.401 55.897 56.287 0.017 0.000 0.936 613 K CB 0.179 32.689 32.500 0.016 0.000 1.228 613 K HN 0.403 nan 8.250 nan 0.000 0.454 614 L N 3.519 124.746 121.223 0.007 0.000 2.483 614 L HA 0.157 4.496 4.340 -0.001 0.000 0.276 614 L C 1.073 177.887 176.870 -0.094 0.000 1.213 614 L CA 1.050 55.886 54.840 -0.006 0.000 0.843 614 L CB 0.105 42.143 42.059 -0.035 0.000 1.107 614 L HN 1.062 nan 8.230 nan 0.000 0.487 615 G N 2.192 110.895 108.800 -0.161 0.000 2.632 615 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.224 615 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.224 615 G C -1.370 173.442 174.900 -0.146 0.000 1.341 615 G CA -0.006 44.741 45.100 -0.589 0.000 0.880 615 G HN 1.022 nan 8.290 nan 0.000 0.566 616 W N -2.001 119.293 121.300 -0.010 0.000 2.534 616 W HA 0.658 5.317 4.660 -0.002 0.000 0.292 616 W C -1.855 174.679 176.519 0.025 0.000 1.027 616 W CA -1.462 55.898 57.345 0.026 0.000 1.304 616 W CB 0.320 29.809 29.460 0.047 0.000 1.187 616 W HN 0.519 nan 8.180 nan 0.000 0.356 617 P HA 0.126 nan 4.420 nan 0.000 0.212 617 P C 0.410 177.781 177.300 0.118 0.000 1.180 617 P CA 2.843 65.979 63.100 0.060 0.000 0.902 617 P CB 0.324 32.039 31.700 0.026 0.000 0.778 618 Q N 0.000 119.872 119.800 0.120 0.000 2.315 618 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 618 Q CA 0.000 nan 55.803 nan 0.000 1.022 618 Q CB 0.000 nan 28.738 nan 0.000 1.108 618 Q HN 0.000 nan 8.270 nan 0.000 0.481