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 2oc2_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 LNLLSSXGGS 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 HGEKLGWPQY NWTP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.380 176.300 0.133 0.000 2.045 40 D CA 0.000 54.060 54.000 0.099 0.000 0.868 40 D CB 0.000 40.837 40.800 0.062 0.000 0.688 41 E N 1.257 121.505 120.200 0.079 0.000 2.107 41 E HA 0.149 4.498 4.350 -0.001 0.000 0.191 41 E C 1.787 178.423 176.600 0.061 0.000 0.982 41 E CA 1.689 58.124 56.400 0.058 0.000 0.809 41 E CB -0.072 29.649 29.700 0.035 0.000 0.756 41 E HN 0.250 nan 8.360 nan 0.000 0.459 42 A N 0.354 123.215 122.820 0.068 0.000 1.968 42 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 42 A C 1.975 179.620 177.584 0.102 0.000 1.169 42 A CA 1.342 53.420 52.037 0.068 0.000 0.638 42 A CB -0.395 18.639 19.000 0.056 0.000 0.812 42 A HN 0.257 nan 8.150 nan 0.000 0.446 43 E N -0.174 120.117 120.200 0.153 0.000 2.106 43 E HA -0.068 4.282 4.350 -0.001 0.000 0.192 43 E C 2.251 179.018 176.600 0.279 0.000 0.984 43 E CA 0.843 57.392 56.400 0.249 0.000 0.806 43 E CB -0.226 29.654 29.700 0.299 0.000 0.750 43 E HN 0.613 nan 8.360 nan 0.000 0.458 44 A N 0.627 123.534 122.820 0.145 0.000 1.933 44 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 44 A C 2.227 179.773 177.584 -0.063 0.000 1.175 44 A CA 1.680 53.590 52.037 -0.213 0.000 0.628 44 A CB -0.504 18.367 19.000 -0.214 0.000 0.814 44 A HN 0.211 nan 8.150 nan 0.000 0.444 45 S N -0.743 114.968 115.700 0.018 0.000 2.368 45 S HA -0.154 4.315 4.470 -0.001 0.000 0.224 45 S C 2.100 176.735 174.600 0.058 0.000 1.029 45 S CA 1.769 59.987 58.200 0.030 0.000 0.988 45 S CB -0.269 62.949 63.200 0.029 0.000 0.838 45 S HN 0.610 nan 8.310 nan 0.000 0.462 46 K N -0.535 119.923 120.400 0.098 0.000 2.057 46 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 46 K C 1.927 178.615 176.600 0.148 0.000 1.050 46 K CA 1.349 57.703 56.287 0.112 0.000 0.935 46 K CB -0.379 32.199 32.500 0.130 0.000 0.715 46 K HN 0.444 nan 8.250 nan 0.000 0.439 47 F N 1.179 121.163 119.950 0.056 0.000 2.069 47 F HA -0.246 4.280 4.527 -0.001 0.000 0.298 47 F C 1.845 177.683 175.800 0.062 0.000 1.113 47 F CA 1.368 59.420 58.000 0.086 0.000 1.214 47 F CB -0.479 38.512 39.000 -0.016 0.000 0.978 47 F HN -0.214 nan 8.300 nan 0.000 0.474 48 V N 0.820 120.763 119.914 0.048 0.000 2.252 48 V HA -0.362 3.757 4.120 -0.001 0.000 0.249 48 V C 2.311 178.362 176.094 -0.071 0.000 1.056 48 V CA 2.526 64.807 62.300 -0.032 0.000 1.022 48 V CB -0.715 31.117 31.823 0.015 0.000 0.641 48 V HN 0.414 nan 8.190 nan 0.000 0.445 49 E N -0.469 119.705 120.200 -0.043 0.000 2.058 49 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 49 E C 2.243 178.780 176.600 -0.104 0.000 0.997 49 E CA 1.599 57.966 56.400 -0.055 0.000 0.801 49 E CB -0.199 29.490 29.700 -0.018 0.000 0.746 49 E HN 0.688 nan 8.360 nan 0.000 0.450 50 E N 0.135 120.281 120.200 -0.091 0.000 2.051 50 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 50 E C 1.998 178.421 176.600 -0.294 0.000 0.991 50 E CA 1.104 57.451 56.400 -0.089 0.000 0.799 50 E CB -0.263 29.476 29.700 0.065 0.000 0.748 50 E HN 0.301 nan 8.360 nan 0.000 0.449 51 Y N 2.140 122.061 120.300 -0.632 0.000 2.128 51 Y HA -0.294 4.255 4.550 -0.001 0.000 0.284 51 Y C 2.000 177.524 175.900 -0.627 0.000 1.154 51 Y CA 2.247 59.771 58.100 -0.960 0.000 1.149 51 Y CB -0.295 37.608 38.460 -0.928 0.000 0.976 51 Y HN 0.030 nan 8.280 nan 0.000 0.505 52 D N -0.568 119.577 120.400 -0.426 0.000 2.084 52 D HA -0.231 4.408 4.640 -0.001 0.000 0.194 52 D C 2.292 178.306 176.300 -0.476 0.000 0.990 52 D CA 2.083 55.818 54.000 -0.442 0.000 0.826 52 D CB -0.257 40.425 40.800 -0.196 0.000 0.971 52 D HN 0.525 nan 8.370 nan 0.000 0.453 53 R N -0.219 120.083 120.500 -0.330 0.000 2.092 53 R HA -0.087 4.252 4.340 -0.001 0.000 0.231 53 R C 2.197 178.313 176.300 -0.306 0.000 1.119 53 R CA 1.829 57.775 56.100 -0.257 0.000 0.970 53 R CB -1.289 28.921 30.300 -0.151 0.000 0.864 53 R HN 0.293 nan 8.270 nan 0.000 0.440 54 T N -1.492 112.843 114.554 -0.365 0.000 2.857 54 T HA 0.039 4.389 4.350 -0.001 0.000 0.266 54 T C 2.074 176.438 174.700 -0.560 0.000 1.048 54 T CA 1.187 63.101 62.100 -0.310 0.000 1.139 54 T CB -0.241 68.528 68.868 -0.166 0.000 0.874 54 T HN 0.228 nan 8.240 nan 0.000 0.455 55 S N 1.851 116.973 115.700 -0.964 0.000 2.382 55 S HA -0.140 4.329 4.470 -0.001 0.000 0.228 55 S C 2.254 176.104 174.600 -1.250 0.000 1.027 55 S CA 1.206 58.414 58.200 -1.652 0.000 0.991 55 S CB -0.470 61.370 63.200 -2.266 0.000 0.823 55 S HN 0.610 nan 8.310 nan 0.000 0.469 56 Q N 0.388 119.724 119.800 -0.773 0.000 2.096 56 Q HA -0.116 4.223 4.340 -0.001 0.000 0.204 56 Q C 2.306 178.186 176.000 -0.200 0.000 0.982 56 Q CA 1.584 57.155 55.803 -0.387 0.000 0.850 56 Q CB -0.416 28.180 28.738 -0.236 0.000 0.901 56 Q HN 0.428 nan 8.270 nan 0.000 0.422 57 V N -0.082 119.699 119.914 -0.221 0.000 2.270 57 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 57 V C 2.244 178.302 176.094 -0.060 0.000 1.043 57 V CA 1.441 63.679 62.300 -0.104 0.000 1.014 57 V CB -0.590 31.177 31.823 -0.093 0.000 0.645 57 V HN 0.163 nan 8.190 nan 0.000 0.447 58 V N -1.299 118.519 119.914 -0.160 0.000 2.407 58 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 58 V C 2.239 178.435 176.094 0.169 0.000 1.055 58 V CA 1.891 64.160 62.300 -0.052 0.000 1.049 58 V CB -0.753 30.921 31.823 -0.248 0.000 0.662 58 V HN 0.619 nan 8.190 nan 0.000 0.455 59 W N 0.136 121.311 121.300 -0.208 0.000 2.453 59 W HA 0.023 4.682 4.660 -0.001 0.000 0.289 59 W C 2.486 179.107 176.519 0.170 0.000 1.215 59 W CA 0.642 57.924 57.345 -0.105 0.000 1.297 59 W CB -1.351 27.818 29.460 -0.484 0.000 1.113 59 W HN 0.299 nan 8.180 nan 0.000 0.551 60 N N 1.307 120.228 118.700 0.369 0.000 2.104 60 N HA -0.198 4.541 4.740 -0.001 0.000 0.190 60 N C 1.298 176.967 175.510 0.265 0.000 1.024 60 N CA 1.805 55.044 53.050 0.316 0.000 0.853 60 N CB -0.169 38.439 38.487 0.201 0.000 1.008 60 N HN 0.288 nan 8.380 nan 0.000 0.424 61 E N -1.113 119.212 120.200 0.209 0.000 2.152 61 E HA -0.172 4.177 4.350 -0.001 0.000 0.192 61 E C 1.595 178.317 176.600 0.203 0.000 0.983 61 E CA 0.666 57.170 56.400 0.175 0.000 0.818 61 E CB -0.180 29.598 29.700 0.130 0.000 0.758 61 E HN 0.465 nan 8.360 nan 0.000 0.467 62 Y N 1.063 121.440 120.300 0.128 0.000 2.220 62 Y HA -0.106 4.443 4.550 -0.001 0.000 0.291 62 Y C 2.199 178.180 175.900 0.135 0.000 1.129 62 Y CA 1.184 59.347 58.100 0.105 0.000 1.161 62 Y CB -0.260 38.230 38.460 0.050 0.000 0.997 62 Y HN -0.014 nan 8.280 nan 0.000 0.522 63 A N 0.635 123.570 122.820 0.191 0.000 1.908 63 A HA -0.242 4.078 4.320 -0.001 0.000 0.218 63 A C 2.134 179.775 177.584 0.095 0.000 1.181 63 A CA 2.668 54.709 52.037 0.007 0.000 0.627 63 A CB -1.471 17.320 19.000 -0.349 0.000 0.818 63 A HN 0.598 nan 8.150 nan 0.000 0.445 64 E N -0.594 119.781 120.200 0.292 0.000 2.107 64 E HA 0.167 4.517 4.350 -0.001 0.000 0.191 64 E C 2.289 179.015 176.600 0.211 0.000 0.982 64 E CA 1.684 58.312 56.400 0.379 0.000 0.809 64 E CB -1.101 28.750 29.700 0.252 0.000 0.756 64 E HN 0.990 nan 8.360 nan 0.000 0.459 65 A N 1.228 124.096 122.820 0.081 0.000 1.902 65 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 65 A C 2.243 179.827 177.584 0.001 0.000 1.181 65 A CA 2.050 54.098 52.037 0.018 0.000 0.623 65 A CB -0.548 18.427 19.000 -0.043 0.000 0.818 65 A HN 0.486 nan 8.150 nan 0.000 0.443 66 N N -0.939 117.696 118.700 -0.108 0.000 2.166 66 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 66 N C 1.568 177.240 175.510 0.269 0.000 1.019 66 N CA 1.582 54.652 53.050 0.033 0.000 0.856 66 N CB -0.400 38.036 38.487 -0.085 0.000 0.993 66 N HN 0.728 nan 8.380 nan 0.000 0.426 67 W N 1.260 122.504 121.300 -0.093 0.000 2.358 67 W HA -0.097 4.563 4.660 -0.001 0.000 0.303 67 W C 1.062 177.462 176.519 -0.199 0.000 1.208 67 W CA 1.029 58.092 57.345 -0.470 0.000 1.274 67 W CB -0.494 28.699 29.460 -0.445 0.000 1.138 67 W HN 0.091 nan 8.180 nan 0.000 0.515 68 N N 0.180 118.928 118.700 0.079 0.000 2.188 68 N HA -0.230 4.509 4.740 -0.001 0.000 0.184 68 N C 1.528 177.012 175.510 -0.043 0.000 1.018 68 N CA 1.793 54.851 53.050 0.012 0.000 0.858 68 N CB -1.350 37.193 38.487 0.093 0.000 0.989 68 N HN 0.345 nan 8.380 nan 0.000 0.426 69 Y N 1.952 122.207 120.300 -0.075 0.000 2.145 69 Y HA -0.067 4.482 4.550 -0.001 0.000 0.286 69 Y C 1.991 177.839 175.900 -0.087 0.000 1.145 69 Y CA 1.562 59.627 58.100 -0.059 0.000 1.148 69 Y CB -0.531 37.915 38.460 -0.024 0.000 0.981 69 Y HN 0.060 nan 8.280 nan 0.000 0.507 70 N N -0.636 117.944 118.700 -0.199 0.000 2.166 70 N HA -0.148 4.592 4.740 -0.001 0.000 0.186 70 N C 1.393 176.641 175.510 -0.435 0.000 1.019 70 N CA 2.049 54.932 53.050 -0.278 0.000 0.856 70 N CB -0.222 38.265 38.487 -0.000 0.000 0.993 70 N HN 0.564 nan 8.380 nan 0.000 0.426 71 T N -2.802 111.407 114.554 -0.576 0.000 3.086 71 T HA 0.121 4.470 4.350 -0.001 0.000 0.250 71 T C 0.300 174.804 174.700 -0.326 0.000 1.074 71 T CA -0.167 61.605 62.100 -0.547 0.000 0.988 71 T CB 0.130 68.502 68.868 -0.827 0.000 0.988 71 T HN -0.020 nan 8.240 nan 0.000 0.530 72 N N 0.873 119.395 118.700 -0.298 0.000 3.111 72 N HA 0.149 4.888 4.740 -0.001 0.000 0.200 72 N C -1.237 174.146 175.510 -0.211 0.000 1.464 72 N CA -0.465 52.465 53.050 -0.200 0.000 0.758 72 N CB -0.197 38.214 38.487 -0.126 0.000 1.548 72 N HN 0.328 nan 8.380 nan 0.000 0.595 73 I N 2.298 122.694 120.570 -0.290 0.000 2.691 73 I HA 0.008 4.177 4.170 -0.001 0.000 0.288 73 I C 0.812 176.875 176.117 -0.089 0.000 1.143 73 I CA 0.529 61.644 61.300 -0.307 0.000 1.364 73 I CB -0.491 37.316 38.000 -0.322 0.000 1.435 73 I HN 0.476 nan 8.210 nan 0.000 0.551 74 T N 0.004 114.554 114.554 -0.007 0.000 2.858 74 T HA 0.303 4.653 4.350 -0.001 0.000 0.285 74 T C 0.954 175.703 174.700 0.082 0.000 1.052 74 T CA -0.645 61.474 62.100 0.033 0.000 1.009 74 T CB 1.671 70.549 68.868 0.018 0.000 1.241 74 T HN 0.394 nan 8.240 nan 0.000 0.542 75 T N -0.154 114.436 114.554 0.060 0.000 2.904 75 T HA -0.019 4.330 4.350 -0.001 0.000 0.267 75 T C 1.610 176.344 174.700 0.057 0.000 1.059 75 T CA 1.177 63.313 62.100 0.060 0.000 1.137 75 T CB -0.240 68.654 68.868 0.043 0.000 0.879 75 T HN 0.732 nan 8.240 nan 0.000 0.467 76 E N 1.160 121.390 120.200 0.050 0.000 2.028 76 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 76 E C 2.545 179.181 176.600 0.059 0.000 0.988 76 E CA 1.710 58.138 56.400 0.045 0.000 0.799 76 E CB -0.129 29.592 29.700 0.035 0.000 0.755 76 E HN 0.632 nan 8.360 nan 0.000 0.447 77 T N -1.520 113.081 114.554 0.079 0.000 2.915 77 T HA -0.045 4.304 4.350 -0.001 0.000 0.269 77 T C 2.122 176.911 174.700 0.148 0.000 1.071 77 T CA 1.447 63.614 62.100 0.111 0.000 1.132 77 T CB -0.175 68.764 68.868 0.119 0.000 0.878 77 T HN -0.057 nan 8.240 nan 0.000 0.479 78 S N 1.277 117.078 115.700 0.169 0.000 2.356 78 S HA -0.021 4.448 4.470 -0.001 0.000 0.223 78 S C 1.995 176.591 174.600 -0.006 0.000 1.032 78 S CA 1.309 59.550 58.200 0.069 0.000 1.005 78 S CB -0.346 62.912 63.200 0.096 0.000 0.867 78 S HN 0.627 nan 8.310 nan 0.000 0.449 79 K N 0.921 121.335 120.400 0.024 0.000 2.002 79 K HA -0.019 4.301 4.320 -0.001 0.000 0.209 79 K C 1.994 178.604 176.600 0.016 0.000 1.048 79 K CA 1.303 57.599 56.287 0.016 0.000 0.930 79 K CB -0.290 32.225 32.500 0.025 0.000 0.714 79 K HN 0.271 nan 8.250 nan 0.000 0.438 80 I N 1.016 121.602 120.570 0.026 0.000 2.264 80 I HA -0.287 3.882 4.170 -0.001 0.000 0.248 80 I C 2.264 178.393 176.117 0.020 0.000 1.111 80 I CA 0.585 61.903 61.300 0.030 0.000 1.382 80 I CB -0.195 37.828 38.000 0.038 0.000 1.060 80 I HN 0.232 nan 8.210 nan 0.000 0.418 81 L N 0.677 121.897 121.223 -0.007 0.000 2.027 81 L HA -0.161 4.178 4.340 -0.001 0.000 0.206 81 L C 2.268 179.136 176.870 -0.004 0.000 1.074 81 L CA 1.828 56.640 54.840 -0.047 0.000 0.745 81 L CB -0.552 41.427 42.059 -0.134 0.000 0.898 81 L HN 0.128 nan 8.230 nan 0.000 0.433 82 L N -0.614 120.595 121.223 -0.024 0.000 2.191 82 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 82 L C 2.635 179.528 176.870 0.038 0.000 1.103 82 L CA 1.404 56.242 54.840 -0.002 0.000 0.769 82 L CB -0.656 41.388 42.059 -0.025 0.000 0.908 82 L HN 0.509 nan 8.230 nan 0.000 0.438 83 Q N 0.357 120.182 119.800 0.042 0.000 2.137 83 Q HA -0.162 4.177 4.340 -0.001 0.000 0.198 83 Q C 1.921 177.974 176.000 0.088 0.000 0.960 83 Q CA 1.046 56.883 55.803 0.057 0.000 0.847 83 Q CB 0.220 28.986 28.738 0.047 0.000 0.915 83 Q HN 0.351 nan 8.270 nan 0.000 0.448 84 K N 0.732 121.197 120.400 0.108 0.000 2.288 84 K HA -0.011 4.308 4.320 -0.001 0.000 0.201 84 K C 1.629 178.398 176.600 0.282 0.000 1.048 84 K CA 0.322 56.717 56.287 0.181 0.000 0.956 84 K CB -0.087 32.508 32.500 0.159 0.000 0.746 84 K HN 0.287 nan 8.250 nan 0.000 0.461 85 N N 0.715 119.561 118.700 0.243 0.000 2.166 85 N HA -0.118 4.621 4.740 -0.001 0.000 0.186 85 N C 1.614 177.181 175.510 0.094 0.000 1.019 85 N CA 1.102 54.261 53.050 0.180 0.000 0.856 85 N CB 0.004 38.569 38.487 0.130 0.000 0.993 85 N HN 0.069 nan 8.380 nan 0.000 0.426 86 M N 0.989 120.646 119.600 0.094 0.000 2.254 86 M HA -0.044 4.435 4.480 -0.001 0.000 0.265 86 M C 2.110 178.464 176.300 0.090 0.000 1.066 86 M CA 1.077 56.424 55.300 0.078 0.000 1.123 86 M CB -0.579 32.062 32.600 0.067 0.000 1.388 86 M HN 0.164 nan 8.290 nan 0.000 0.425 87 Q N -0.292 119.573 119.800 0.107 0.000 2.083 87 Q HA -0.131 4.208 4.340 -0.001 0.000 0.198 87 Q C 2.156 178.240 176.000 0.138 0.000 0.969 87 Q CA 1.364 57.239 55.803 0.119 0.000 0.838 87 Q CB -0.168 28.644 28.738 0.123 0.000 0.900 87 Q HN 0.521 nan 8.270 nan 0.000 0.436 88 I N 0.397 121.034 120.570 0.113 0.000 2.394 88 I HA -0.218 3.951 4.170 -0.001 0.000 0.251 88 I C 2.110 178.296 176.117 0.114 0.000 1.136 88 I CA 1.037 62.384 61.300 0.079 0.000 1.425 88 I CB -0.131 37.785 38.000 -0.140 0.000 1.079 88 I HN 0.331 nan 8.210 nan 0.000 0.425 89 A N 0.479 123.345 122.820 0.077 0.000 1.933 89 A HA -0.237 4.082 4.320 -0.001 0.000 0.218 89 A C 2.036 179.694 177.584 0.124 0.000 1.175 89 A CA 1.889 53.977 52.037 0.086 0.000 0.628 89 A CB -0.727 18.311 19.000 0.063 0.000 0.814 89 A HN 0.460 nan 8.150 nan 0.000 0.444 90 N N -0.917 117.862 118.700 0.132 0.000 2.120 90 N HA -0.173 4.566 4.740 -0.001 0.000 0.188 90 N C 1.628 177.249 175.510 0.185 0.000 1.024 90 N CA 1.750 54.880 53.050 0.133 0.000 0.852 90 N CB -0.578 37.979 38.487 0.117 0.000 1.003 90 N HN 0.811 nan 8.380 nan 0.000 0.424 91 H N 0.014 119.178 119.070 0.156 0.000 2.321 91 H HA -0.030 4.526 4.556 -0.001 0.000 0.300 91 H C 1.616 177.133 175.328 0.316 0.000 1.087 91 H CA 2.442 58.631 56.048 0.236 0.000 1.319 91 H CB -0.241 29.625 29.762 0.173 0.000 1.379 91 H HN 0.093 nan 8.280 nan 0.000 0.501 92 T N 0.975 115.755 114.554 0.375 0.000 2.788 92 T HA -0.140 4.209 4.350 -0.001 0.000 0.268 92 T C 1.979 176.807 174.700 0.214 0.000 1.044 92 T CA 1.211 63.510 62.100 0.332 0.000 1.139 92 T CB -0.350 68.671 68.868 0.255 0.000 0.867 92 T HN 0.174 nan 8.240 nan 0.000 0.454 93 L N 1.397 122.711 121.223 0.152 0.000 2.027 93 L HA 0.096 4.436 4.340 -0.001 0.000 0.206 93 L C 2.392 179.306 176.870 0.073 0.000 1.074 93 L CA 1.790 56.688 54.840 0.096 0.000 0.745 93 L CB -0.604 41.496 42.059 0.069 0.000 0.898 93 L HN 0.089 nan 8.230 nan 0.000 0.433 94 K N -1.527 118.904 120.400 0.051 0.000 2.009 94 K HA -0.258 4.061 4.320 -0.001 0.000 0.210 94 K C 2.166 178.717 176.600 -0.081 0.000 1.049 94 K CA 2.297 58.551 56.287 -0.056 0.000 0.929 94 K CB -0.462 31.960 32.500 -0.131 0.000 0.714 94 K HN 0.357 nan 8.250 nan 0.000 0.440 95 Y N -0.135 120.191 120.300 0.043 0.000 2.337 95 Y HA 0.042 4.591 4.550 -0.001 0.000 0.293 95 Y C 2.425 178.492 175.900 0.278 0.000 1.123 95 Y CA 1.138 59.358 58.100 0.201 0.000 1.201 95 Y CB -0.340 38.186 38.460 0.109 0.000 1.011 95 Y HN 0.272 nan 8.280 nan 0.000 0.545 96 G N -0.914 108.058 108.800 0.285 0.000 2.408 96 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 96 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 96 G C 1.687 176.649 174.900 0.103 0.000 1.150 96 G CA 1.558 46.765 45.100 0.179 0.000 0.776 96 G HN 0.299 nan 8.290 nan 0.000 0.542 97 T N 0.727 115.325 114.554 0.073 0.000 2.746 97 T HA -0.109 4.240 4.350 -0.001 0.000 0.267 97 T C 2.386 177.082 174.700 -0.006 0.000 1.039 97 T CA 1.385 63.495 62.100 0.017 0.000 1.142 97 T CB -0.169 68.698 68.868 -0.002 0.000 0.866 97 T HN 0.315 nan 8.240 nan 0.000 0.444 98 Q N 0.241 120.056 119.800 0.026 0.000 2.172 98 Q HA 0.088 4.427 4.340 -0.001 0.000 0.200 98 Q C 2.687 178.622 176.000 -0.108 0.000 0.964 98 Q CA 1.071 56.863 55.803 -0.018 0.000 0.855 98 Q CB -0.209 28.604 28.738 0.125 0.000 0.918 98 Q HN 0.559 nan 8.270 nan 0.000 0.444 99 A N 0.995 123.775 122.820 -0.067 0.000 1.969 99 A HA -0.138 4.181 4.320 -0.001 0.000 0.218 99 A C 1.878 179.466 177.584 0.006 0.000 1.169 99 A CA 0.909 52.859 52.037 -0.145 0.000 0.635 99 A CB -0.231 18.752 19.000 -0.029 0.000 0.810 99 A HN 0.183 nan 8.150 nan 0.000 0.445 100 R N -0.274 120.217 120.500 -0.016 0.000 2.280 100 R HA -0.010 4.329 4.340 -0.001 0.000 0.207 100 R C 1.535 177.797 176.300 -0.064 0.000 1.043 100 R CA 1.087 57.169 56.100 -0.028 0.000 1.006 100 R CB -0.076 30.206 30.300 -0.029 0.000 0.885 100 R HN 0.495 nan 8.270 nan 0.000 0.467 101 K N -0.372 119.951 120.400 -0.129 0.000 2.365 101 K HA 0.035 4.354 4.320 -0.001 0.000 0.197 101 K C -0.159 176.263 176.600 -0.296 0.000 1.042 101 K CA 0.290 56.440 56.287 -0.228 0.000 0.987 101 K CB 0.243 32.553 32.500 -0.316 0.000 0.779 101 K HN -0.009 nan 8.250 nan 0.000 0.484 102 F N 2.293 122.129 119.950 -0.190 0.000 2.467 102 F HA 0.013 4.539 4.527 -0.001 0.000 0.362 102 F C 0.770 176.498 175.800 -0.120 0.000 1.090 102 F CA -0.752 57.146 58.000 -0.169 0.000 1.202 102 F CB 0.370 39.231 39.000 -0.231 0.000 1.113 102 F HN -0.100 nan 8.300 nan 0.000 0.541 103 D N 3.725 124.165 120.400 0.067 0.000 2.344 103 D HA 0.066 4.705 4.640 -0.001 0.000 0.253 103 D C 1.012 177.339 176.300 0.046 0.000 1.255 103 D CA 0.139 54.158 54.000 0.031 0.000 0.894 103 D CB 1.216 42.017 40.800 0.002 0.000 1.067 103 D HN 0.323 nan 8.370 nan 0.000 0.492 104 V N 4.605 124.533 119.914 0.025 0.000 2.407 104 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 104 V C 2.035 178.129 176.094 0.001 0.000 1.055 104 V CA 1.326 63.629 62.300 0.006 0.000 1.049 104 V CB -0.414 31.405 31.823 -0.007 0.000 0.662 104 V HN 0.598 nan 8.190 nan 0.000 0.455 105 N N 0.251 118.950 118.700 -0.001 0.000 2.223 105 N HA -0.165 4.575 4.740 -0.001 0.000 0.185 105 N C 1.760 177.270 175.510 -0.001 0.000 1.016 105 N CA 1.095 54.142 53.050 -0.004 0.000 0.863 105 N CB -0.243 38.239 38.487 -0.008 0.000 0.983 105 N HN 0.523 nan 8.380 nan 0.000 0.429 106 Q N 0.078 119.882 119.800 0.007 0.000 2.432 106 Q HA 0.093 4.432 4.340 -0.001 0.000 0.205 106 Q C 0.085 176.094 176.000 0.014 0.000 0.945 106 Q CA -0.026 55.783 55.803 0.010 0.000 0.924 106 Q CB -0.052 28.694 28.738 0.013 0.000 1.016 106 Q HN 0.205 nan 8.270 nan 0.000 0.503 107 L N 1.837 123.068 121.223 0.013 0.000 2.462 107 L HA 0.004 4.343 4.340 -0.001 0.000 0.272 107 L C 1.618 178.487 176.870 -0.001 0.000 1.166 107 L CA 0.775 55.619 54.840 0.007 0.000 0.880 107 L CB 0.559 42.612 42.059 -0.011 0.000 1.142 107 L HN 0.158 nan 8.230 nan 0.000 0.473 108 Q N 2.256 122.056 119.800 0.001 0.000 2.062 108 Q HA -0.046 4.293 4.340 -0.001 0.000 0.196 108 Q C 0.638 176.634 176.000 -0.006 0.000 0.967 108 Q CA 0.682 56.484 55.803 -0.001 0.000 0.832 108 Q CB 0.218 28.956 28.738 0.000 0.000 0.899 108 Q HN 0.616 nan 8.270 nan 0.000 0.442 109 N N 0.114 118.809 118.700 -0.008 0.000 2.475 109 N HA -0.023 4.717 4.740 -0.001 0.000 0.267 109 N C 0.202 175.701 175.510 -0.017 0.000 1.169 109 N CA 0.360 53.403 53.050 -0.011 0.000 0.947 109 N CB 1.450 39.931 38.487 -0.010 0.000 1.061 109 N HN 0.068 nan 8.380 nan 0.000 0.466 110 T N 2.358 116.902 114.554 -0.017 0.000 2.701 110 T HA -0.096 4.253 4.350 -0.001 0.000 0.263 110 T C 1.609 176.294 174.700 -0.025 0.000 1.040 110 T CA 1.608 63.694 62.100 -0.023 0.000 1.147 110 T CB -0.238 68.614 68.868 -0.025 0.000 0.865 110 T HN 0.573 nan 8.240 nan 0.000 0.426 111 T N 2.105 116.647 114.554 -0.020 0.000 2.684 111 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 111 T C 1.965 176.658 174.700 -0.012 0.000 1.036 111 T CA 1.038 63.130 62.100 -0.014 0.000 1.148 111 T CB -0.466 68.399 68.868 -0.004 0.000 0.863 111 T HN 0.141 nan 8.240 nan 0.000 0.436 112 I N 0.951 121.510 120.570 -0.019 0.000 2.226 112 I HA -0.117 4.052 4.170 -0.001 0.000 0.245 112 I C 2.446 178.532 176.117 -0.052 0.000 1.100 112 I CA 1.361 62.641 61.300 -0.033 0.000 1.374 112 I CB -0.261 37.716 38.000 -0.039 0.000 1.057 112 I HN 0.120 nan 8.210 nan 0.000 0.413 113 K N 0.358 120.732 120.400 -0.044 0.000 2.097 113 K HA -0.204 4.115 4.320 -0.001 0.000 0.205 113 K C 2.398 178.982 176.600 -0.028 0.000 1.050 113 K CA 1.307 57.568 56.287 -0.044 0.000 0.938 113 K CB -0.061 32.421 32.500 -0.030 0.000 0.718 113 K HN 0.175 nan 8.250 nan 0.000 0.442 114 R N 0.530 121.020 120.500 -0.016 0.000 2.115 114 R HA -0.018 4.321 4.340 -0.001 0.000 0.226 114 R C 2.194 178.518 176.300 0.039 0.000 1.100 114 R CA 0.848 56.952 56.100 0.006 0.000 0.980 114 R CB -0.058 30.232 30.300 -0.016 0.000 0.875 114 R HN 0.189 nan 8.270 nan 0.000 0.445 115 I N 0.260 120.841 120.570 0.018 0.000 2.162 115 I HA -0.267 3.903 4.170 -0.001 0.000 0.238 115 I C 2.163 178.265 176.117 -0.026 0.000 1.076 115 I CA 1.205 62.514 61.300 0.016 0.000 1.353 115 I CB -0.237 37.766 38.000 0.005 0.000 1.063 115 I HN 0.137 nan 8.210 nan 0.000 0.408 116 I N 0.858 121.399 120.570 -0.049 0.000 2.151 116 I HA -0.375 3.795 4.170 -0.001 0.000 0.243 116 I C 2.634 178.723 176.117 -0.047 0.000 1.080 116 I CA 1.624 62.876 61.300 -0.079 0.000 1.339 116 I CB -0.425 37.441 38.000 -0.224 0.000 1.039 116 I HN 0.211 nan 8.210 nan 0.000 0.409 117 K N 1.284 121.670 120.400 -0.023 0.000 2.032 117 K HA -0.280 4.040 4.320 -0.001 0.000 0.209 117 K C 2.220 178.840 176.600 0.033 0.000 1.048 117 K CA 1.845 58.136 56.287 0.006 0.000 0.927 117 K CB -0.078 32.432 32.500 0.017 0.000 0.712 117 K HN 0.104 nan 8.250 nan 0.000 0.441 118 K N 0.153 120.585 120.400 0.054 0.000 2.057 118 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 118 K C 1.708 178.330 176.600 0.037 0.000 1.049 118 K CA 1.438 57.770 56.287 0.075 0.000 0.931 118 K CB 0.080 32.648 32.500 0.113 0.000 0.714 118 K HN 0.013 nan 8.250 nan 0.000 0.440 119 V N 1.541 121.436 119.914 -0.031 0.000 2.759 119 V HA -0.207 3.912 4.120 -0.001 0.000 0.256 119 V C 2.089 178.202 176.094 0.033 0.000 1.080 119 V CA 1.568 63.826 62.300 -0.069 0.000 1.101 119 V CB -0.524 31.135 31.823 -0.273 0.000 0.698 119 V HN 0.403 nan 8.190 nan 0.000 0.477 120 Q N -0.311 119.505 119.800 0.026 0.000 2.226 120 Q HA -0.142 4.197 4.340 -0.001 0.000 0.204 120 Q C 0.946 176.971 176.000 0.041 0.000 0.975 120 Q CA 0.837 56.658 55.803 0.029 0.000 0.866 120 Q CB -0.101 28.639 28.738 0.004 0.000 0.915 120 Q HN 0.516 nan 8.270 nan 0.000 0.440 121 D N 0.472 120.909 120.400 0.062 0.000 2.344 121 D HA 0.028 4.668 4.640 -0.001 0.000 0.253 121 D C 0.559 176.911 176.300 0.087 0.000 1.255 121 D CA 0.097 54.150 54.000 0.089 0.000 0.894 121 D CB 0.698 41.579 40.800 0.136 0.000 1.067 121 D HN 0.134 nan 8.370 nan 0.000 0.492 122 L N 2.816 124.082 121.223 0.073 0.000 2.552 122 L HA 0.004 4.344 4.340 -0.001 0.000 0.227 122 L C 1.407 178.308 176.870 0.052 0.000 1.146 122 L CA -0.002 54.882 54.840 0.073 0.000 0.858 122 L CB -0.462 41.630 42.059 0.055 0.000 0.969 122 L HN 0.497 nan 8.230 nan 0.000 0.451 123 E N 0.253 120.480 120.200 0.044 0.000 3.498 123 E HA -0.417 3.932 4.350 -0.001 0.000 0.395 123 E C 1.610 178.201 176.600 -0.017 0.000 1.577 123 E CA 2.237 58.646 56.400 0.015 0.000 1.700 123 E CB -0.657 29.049 29.700 0.010 0.000 1.647 123 E HN 0.501 nan 8.360 nan 0.000 0.442 124 R N 1.135 121.629 120.500 -0.009 0.000 2.120 124 R HA -0.033 4.307 4.340 -0.001 0.000 0.234 124 R C 2.160 178.457 176.300 -0.007 0.000 1.123 124 R CA 1.740 57.826 56.100 -0.023 0.000 0.975 124 R CB -0.333 30.047 30.300 0.133 0.000 0.866 124 R HN 0.362 nan 8.270 nan 0.000 0.446 125 A N 1.275 124.106 122.820 0.017 0.000 2.125 125 A HA 0.031 4.350 4.320 -0.001 0.000 0.219 125 A C 2.384 179.978 177.584 0.017 0.000 1.156 125 A CA 1.289 53.345 52.037 0.031 0.000 0.671 125 A CB -0.525 18.509 19.000 0.057 0.000 0.794 125 A HN 0.584 nan 8.150 nan 0.000 0.459 126 A N -0.510 122.308 122.820 -0.002 0.000 2.067 126 A HA 0.213 4.532 4.320 -0.001 0.000 0.219 126 A C 1.038 178.602 177.584 -0.033 0.000 1.158 126 A CA 0.221 52.249 52.037 -0.015 0.000 0.661 126 A CB -0.433 18.553 19.000 -0.023 0.000 0.801 126 A HN 0.468 nan 8.150 nan 0.000 0.452 127 L N 0.834 122.029 121.223 -0.047 0.000 2.456 127 L HA 0.170 4.509 4.340 -0.001 0.000 0.272 127 L C -2.119 174.739 176.870 -0.020 0.000 1.189 127 L CA -1.817 52.992 54.840 -0.053 0.000 0.846 127 L CB 0.277 42.292 42.059 -0.073 0.000 1.111 127 L HN 0.068 nan 8.230 nan 0.000 0.475 128 P HA -0.044 nan 4.420 nan 0.000 0.267 128 P C 0.246 177.550 177.300 0.006 0.000 1.200 128 P CA 0.014 63.110 63.100 -0.007 0.000 0.772 128 P CB 0.714 32.407 31.700 -0.012 0.000 0.855 129 A N 2.653 125.480 122.820 0.013 0.000 1.940 129 A HA -0.317 4.002 4.320 -0.001 0.000 0.221 129 A C 2.175 179.775 177.584 0.026 0.000 1.190 129 A CA 2.167 54.218 52.037 0.022 0.000 0.647 129 A CB -1.304 17.708 19.000 0.021 0.000 0.821 129 A HN 0.702 nan 8.150 nan 0.000 0.457 130 Q N -1.270 118.543 119.800 0.021 0.000 2.137 130 Q HA -0.167 4.172 4.340 -0.001 0.000 0.198 130 Q C 1.875 177.894 176.000 0.032 0.000 0.960 130 Q CA 1.514 57.332 55.803 0.024 0.000 0.847 130 Q CB -0.009 28.739 28.738 0.017 0.000 0.915 130 Q HN 0.733 nan 8.270 nan 0.000 0.448 131 E N 0.326 120.541 120.200 0.025 0.000 2.107 131 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 131 E C 1.721 178.362 176.600 0.068 0.000 0.982 131 E CA 0.624 57.043 56.400 0.032 0.000 0.809 131 E CB -0.109 29.587 29.700 -0.007 0.000 0.756 131 E HN 0.213 nan 8.360 nan 0.000 0.459 132 L N 1.724 122.982 121.223 0.058 0.000 2.012 132 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 132 L C 2.063 179.000 176.870 0.113 0.000 1.073 132 L CA 2.273 57.169 54.840 0.093 0.000 0.748 132 L CB -0.629 41.466 42.059 0.061 0.000 0.891 132 L HN 0.259 nan 8.230 nan 0.000 0.431 133 E N -1.341 118.903 120.200 0.074 0.000 2.208 133 E HA -0.235 4.115 4.350 -0.001 0.000 0.193 133 E C 1.987 178.619 176.600 0.053 0.000 0.988 133 E CA 1.107 57.539 56.400 0.055 0.000 0.828 133 E CB -0.506 29.218 29.700 0.040 0.000 0.763 133 E HN 0.726 nan 8.360 nan 0.000 0.478 134 E N 0.070 120.315 120.200 0.074 0.000 2.046 134 E HA -0.218 4.131 4.350 -0.001 0.000 0.190 134 E C 1.828 178.491 176.600 0.106 0.000 0.982 134 E CA 0.900 57.348 56.400 0.080 0.000 0.800 134 E CB -0.223 29.527 29.700 0.084 0.000 0.756 134 E HN 0.395 nan 8.360 nan 0.000 0.449 135 Y N 1.810 122.116 120.300 0.010 0.000 2.207 135 Y HA -0.207 4.342 4.550 -0.001 0.000 0.287 135 Y C 1.865 177.772 175.900 0.011 0.000 1.156 135 Y CA 1.795 59.905 58.100 0.016 0.000 1.182 135 Y CB -0.200 38.258 38.460 -0.003 0.000 0.979 135 Y HN 0.100 nan 8.280 nan 0.000 0.521 136 N N 0.385 119.058 118.700 -0.045 0.000 2.142 136 N HA -0.160 4.579 4.740 -0.001 0.000 0.186 136 N C 1.892 177.306 175.510 -0.160 0.000 1.023 136 N CA 1.385 54.358 53.050 -0.129 0.000 0.852 136 N CB -0.423 38.049 38.487 -0.026 0.000 0.998 136 N HN 0.373 nan 8.380 nan 0.000 0.424 137 K N 0.721 121.061 120.400 -0.101 0.000 2.097 137 K HA 0.008 4.328 4.320 -0.001 0.000 0.205 137 K C 2.065 178.550 176.600 -0.192 0.000 1.050 137 K CA 0.643 56.860 56.287 -0.116 0.000 0.938 137 K CB -0.109 32.361 32.500 -0.050 0.000 0.718 137 K HN 0.070 nan 8.250 nan 0.000 0.442 138 I N 1.158 121.627 120.570 -0.169 0.000 2.127 138 I HA -0.336 3.834 4.170 -0.001 0.000 0.241 138 I C 2.202 178.114 176.117 -0.342 0.000 1.075 138 I CA 1.186 62.350 61.300 -0.227 0.000 1.334 138 I CB -0.112 37.880 38.000 -0.013 0.000 1.040 138 I HN 0.196 nan 8.210 nan 0.000 0.405 139 L N -0.232 120.788 121.223 -0.339 0.000 2.042 139 L HA -0.265 4.074 4.340 -0.001 0.000 0.210 139 L C 2.564 179.256 176.870 -0.298 0.000 1.076 139 L CA 1.327 55.963 54.840 -0.340 0.000 0.749 139 L CB -0.546 41.268 42.059 -0.408 0.000 0.893 139 L HN 0.324 nan 8.230 nan 0.000 0.432 140 L N -0.279 120.767 121.223 -0.295 0.000 2.046 140 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 140 L C 2.025 178.754 176.870 -0.235 0.000 1.077 140 L CA 1.774 56.442 54.840 -0.286 0.000 0.747 140 L CB -0.398 41.483 42.059 -0.297 0.000 0.896 140 L HN 0.207 nan 8.230 nan 0.000 0.432 141 D N -0.766 119.422 120.400 -0.352 0.000 2.178 141 D HA -0.158 4.482 4.640 -0.001 0.000 0.202 141 D C 2.243 178.239 176.300 -0.507 0.000 0.974 141 D CA 1.397 55.111 54.000 -0.476 0.000 0.841 141 D CB -0.054 40.229 40.800 -0.862 0.000 0.953 141 D HN 0.433 nan 8.370 nan 0.000 0.478 142 M N 0.007 119.315 119.600 -0.487 0.000 2.156 142 M HA -0.107 4.372 4.480 -0.001 0.000 0.264 142 M C 2.105 178.356 176.300 -0.082 0.000 1.067 142 M CA 0.989 56.147 55.300 -0.237 0.000 1.131 142 M CB -0.088 32.383 32.600 -0.214 0.000 1.368 142 M HN -0.147 nan 8.290 nan 0.000 0.416 143 E N 0.479 120.624 120.200 -0.091 0.000 2.077 143 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 143 E C 1.722 178.427 176.600 0.176 0.000 0.989 143 E CA 1.923 58.342 56.400 0.032 0.000 0.800 143 E CB -0.228 29.513 29.700 0.068 0.000 0.746 143 E HN 0.325 nan 8.360 nan 0.000 0.452 144 T N -0.389 114.261 114.554 0.160 0.000 2.737 144 T HA -0.105 4.245 4.350 -0.001 0.000 0.265 144 T C 1.813 176.591 174.700 0.130 0.000 1.038 144 T CA 1.758 63.960 62.100 0.170 0.000 1.144 144 T CB -0.650 68.312 68.868 0.157 0.000 0.866 144 T HN 0.235 nan 8.240 nan 0.000 0.434 145 T N 1.044 115.661 114.554 0.105 0.000 2.684 145 T HA -0.151 4.199 4.350 -0.001 0.000 0.267 145 T C 1.630 176.399 174.700 0.116 0.000 1.036 145 T CA 1.438 63.606 62.100 0.113 0.000 1.148 145 T CB -0.555 68.410 68.868 0.162 0.000 0.863 145 T HN 0.472 nan 8.240 nan 0.000 0.436 146 Y N 1.621 121.946 120.300 0.043 0.000 2.200 146 Y HA -0.122 4.427 4.550 -0.001 0.000 0.290 146 Y C 2.607 178.638 175.900 0.219 0.000 1.137 146 Y CA 1.331 59.485 58.100 0.090 0.000 1.163 146 Y CB -0.170 38.342 38.460 0.086 0.000 0.988 146 Y HN 0.106 nan 8.280 nan 0.000 0.518 147 S N -0.799 115.095 115.700 0.322 0.000 2.470 147 S HA -0.074 4.395 4.470 -0.001 0.000 0.225 147 S C 1.738 176.423 174.600 0.140 0.000 1.006 147 S CA 1.004 59.359 58.200 0.259 0.000 0.934 147 S CB -0.181 63.160 63.200 0.235 0.000 0.778 147 S HN 0.487 nan 8.310 nan 0.000 0.517 148 V N -0.965 119.012 119.914 0.105 0.000 3.621 148 V HA 0.576 4.695 4.120 -0.001 0.000 0.285 148 V C 0.615 176.747 176.094 0.064 0.000 1.346 148 V CA -0.230 62.112 62.300 0.071 0.000 1.104 148 V CB -0.873 30.982 31.823 0.054 0.000 0.913 148 V HN 0.282 nan 8.190 nan 0.000 0.432 149 A N 2.097 124.952 122.820 0.059 0.000 2.488 149 A HA 0.568 4.887 4.320 -0.001 0.000 0.249 149 A C 0.694 178.363 177.584 0.142 0.000 1.083 149 A CA 0.807 52.852 52.037 0.014 0.000 0.768 149 A CB -0.357 18.506 19.000 -0.229 0.000 1.017 149 A HN 0.902 nan 8.150 nan 0.000 0.496 150 T N -0.878 113.722 114.554 0.077 0.000 2.916 150 T HA 0.677 5.027 4.350 -0.001 0.000 0.292 150 T C -0.694 174.035 174.700 0.049 0.000 1.055 150 T CA -0.761 61.399 62.100 0.100 0.000 1.009 150 T CB 1.550 70.462 68.868 0.074 0.000 1.118 150 T HN 0.662 nan 8.240 nan 0.000 0.497 151 V N 1.097 121.037 119.914 0.043 0.000 2.443 151 V HA 0.494 4.614 4.120 -0.001 0.000 0.293 151 V C -0.122 175.999 176.094 0.044 0.000 1.021 151 V CA -0.843 61.420 62.300 -0.062 0.000 0.848 151 V CB 0.779 32.438 31.823 -0.273 0.000 0.998 151 V HN 1.241 nan 8.190 nan 0.000 0.424 152 c N 3.260 121.907 118.600 0.077 0.000 2.486 152 c HA 0.744 5.313 4.570 -0.001 0.000 0.348 152 c C 0.167 174.352 174.090 0.157 0.000 1.203 152 c CA -0.864 55.551 56.329 0.144 0.000 1.911 152 c CB 1.061 43.645 42.510 0.123 0.000 2.340 152 c HN 0.923 nan 8.230 nan 0.000 0.511 153 H N 0.081 119.311 119.070 0.267 0.000 2.508 153 H HA 0.311 4.866 4.556 -0.001 0.000 0.344 153 H C -1.756 173.628 175.328 0.094 0.000 1.192 153 H CA -1.325 54.812 56.048 0.148 0.000 1.290 153 H CB 0.052 29.789 29.762 -0.043 0.000 1.571 153 H HN 0.358 nan 8.280 nan 0.000 0.555 154 P HA -0.159 nan 4.420 nan 0.000 0.218 154 P C 0.735 178.087 177.300 0.088 0.000 1.148 154 P CA 1.309 64.477 63.100 0.113 0.000 0.822 154 P CB 0.115 31.865 31.700 0.083 0.000 0.784 155 N N -0.598 118.151 118.700 0.081 0.000 2.588 155 N HA -0.079 4.661 4.740 -0.001 0.000 0.190 155 N C 1.304 176.846 175.510 0.053 0.000 1.094 155 N CA 1.604 54.678 53.050 0.039 0.000 0.921 155 N CB -1.280 37.197 38.487 -0.017 0.000 0.959 155 N HN 0.240 nan 8.380 nan 0.000 0.448 156 G N -1.835 107.020 108.800 0.091 0.000 2.176 156 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.232 156 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.232 156 G C -0.079 174.883 174.900 0.103 0.000 0.986 156 G CA 0.206 45.356 45.100 0.084 0.000 0.643 156 G HN 0.710 nan 8.290 nan 0.000 0.522 157 S N -0.025 115.761 115.700 0.143 0.000 2.465 157 S HA 0.571 5.040 4.470 -0.001 0.000 0.279 157 S C 0.494 175.244 174.600 0.251 0.000 1.201 157 S CA 0.056 58.358 58.200 0.170 0.000 1.053 157 S CB 0.120 63.401 63.200 0.135 0.000 0.953 157 S HN 0.678 nan 8.310 nan 0.000 0.488 158 c N 5.691 124.396 118.600 0.175 0.000 2.411 158 c HA 0.668 5.238 4.570 -0.001 0.000 0.330 158 c C -0.603 173.580 174.090 0.156 0.000 1.224 158 c CA -0.900 55.525 56.329 0.160 0.000 1.770 158 c CB 0.446 43.020 42.510 0.107 0.000 2.297 158 c HN 0.797 nan 8.230 nan 0.000 0.507 159 L N 3.078 124.398 121.223 0.163 0.000 2.333 159 L HA 0.423 4.763 4.340 -0.001 0.000 0.280 159 L C 0.216 177.134 176.870 0.081 0.000 1.004 159 L CA 0.198 55.122 54.840 0.139 0.000 0.820 159 L CB 1.139 43.325 42.059 0.211 0.000 1.247 159 L HN 0.696 nan 8.230 nan 0.000 0.416 160 Q N 1.170 120.999 119.800 0.049 0.000 2.382 160 Q HA 0.177 4.516 4.340 -0.001 0.000 0.229 160 Q C 0.920 176.857 176.000 -0.105 0.000 1.006 160 Q CA -0.528 55.283 55.803 0.013 0.000 0.916 160 Q CB 1.252 30.001 28.738 0.018 0.000 1.235 160 Q HN 0.528 nan 8.270 nan 0.000 0.512 161 L N 0.843 121.911 121.223 -0.258 0.000 1.994 161 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 161 L C -0.065 176.649 176.870 -0.261 0.000 1.071 161 L CA 1.951 56.467 54.840 -0.541 0.000 0.745 161 L CB 0.201 41.694 42.059 -0.944 0.000 0.892 161 L HN 0.577 nan 8.230 nan 0.000 0.431 162 E N -0.136 119.990 120.200 -0.123 0.000 2.158 162 E HA 0.272 4.622 4.350 -0.001 0.000 0.271 162 E C -1.964 174.627 176.600 -0.015 0.000 0.911 162 E CA -1.590 54.785 56.400 -0.043 0.000 0.767 162 E CB 1.454 31.156 29.700 0.003 0.000 1.120 162 E HN 0.142 nan 8.360 nan 0.000 0.405 163 P HA 0.100 nan 4.420 nan 0.000 0.267 163 P C -0.228 177.065 177.300 -0.012 0.000 1.289 163 P CA 0.113 63.211 63.100 -0.003 0.000 0.866 163 P CB 0.723 32.435 31.700 0.019 0.000 1.309 164 D N 0.767 121.159 120.400 -0.013 0.000 2.084 164 D HA -0.049 4.590 4.640 -0.001 0.000 0.199 164 D C 2.151 178.455 176.300 0.006 0.000 0.981 164 D CA 1.043 55.053 54.000 0.017 0.000 0.841 164 D CB -0.643 40.186 40.800 0.050 0.000 0.997 164 D HN 0.161 nan 8.370 nan 0.000 0.454 165 L N 0.842 122.027 121.223 -0.065 0.000 2.131 165 L HA -0.122 4.217 4.340 -0.001 0.000 0.210 165 L C 2.578 179.360 176.870 -0.148 0.000 1.092 165 L CA 0.970 55.742 54.840 -0.114 0.000 0.759 165 L CB -0.580 41.306 42.059 -0.287 0.000 0.903 165 L HN 0.037 nan 8.230 nan 0.000 0.435 166 T N -0.500 113.954 114.554 -0.167 0.000 2.720 166 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 166 T C 1.696 176.366 174.700 -0.050 0.000 1.037 166 T CA 1.942 63.967 62.100 -0.125 0.000 1.144 166 T CB -0.256 68.564 68.868 -0.078 0.000 0.864 166 T HN 0.312 nan 8.240 nan 0.000 0.444 167 N N 0.458 119.146 118.700 -0.019 0.000 2.216 167 N HA -0.066 4.673 4.740 -0.001 0.000 0.183 167 N C 1.711 177.233 175.510 0.021 0.000 1.017 167 N CA 0.811 53.866 53.050 0.009 0.000 0.861 167 N CB -0.320 38.179 38.487 0.021 0.000 0.986 167 N HN 0.145 nan 8.380 nan 0.000 0.428 168 V N 0.769 120.704 119.914 0.036 0.000 2.287 168 V HA -0.255 3.865 4.120 -0.001 0.000 0.248 168 V C 2.335 178.454 176.094 0.042 0.000 1.053 168 V CA 1.380 63.721 62.300 0.068 0.000 1.027 168 V CB -0.521 31.388 31.823 0.144 0.000 0.646 168 V HN 0.392 nan 8.190 nan 0.000 0.447 169 M N -0.069 119.534 119.600 0.004 0.000 2.149 169 M HA -0.137 4.342 4.480 -0.001 0.000 0.261 169 M C 2.235 178.529 176.300 -0.010 0.000 1.064 169 M CA 2.228 57.517 55.300 -0.018 0.000 1.102 169 M CB -1.538 31.015 32.600 -0.079 0.000 1.369 169 M HN 0.431 nan 8.290 nan 0.000 0.408 170 A N -0.724 122.097 122.820 0.001 0.000 2.021 170 A HA -0.019 4.300 4.320 -0.001 0.000 0.216 170 A C 2.173 179.768 177.584 0.018 0.000 1.163 170 A CA 1.790 53.837 52.037 0.016 0.000 0.676 170 A CB -0.533 18.481 19.000 0.023 0.000 0.818 170 A HN 0.569 nan 8.150 nan 0.000 0.453 171 T N -4.543 110.023 114.554 0.019 0.000 2.964 171 T HA 0.216 4.566 4.350 -0.001 0.000 0.249 171 T C 0.953 175.666 174.700 0.022 0.000 1.000 171 T CA 0.665 62.777 62.100 0.020 0.000 0.992 171 T CB -0.442 68.441 68.868 0.024 0.000 1.087 171 T HN 0.233 nan 8.240 nan 0.000 0.489 172 S N 1.274 116.994 115.700 0.034 0.000 2.564 172 S HA 0.350 4.819 4.470 -0.001 0.000 0.278 172 S C 0.495 175.132 174.600 0.061 0.000 1.333 172 S CA -0.636 57.595 58.200 0.052 0.000 1.048 172 S CB 0.216 63.460 63.200 0.073 0.000 0.900 172 S HN 0.294 nan 8.310 nan 0.000 0.505 173 R N 3.096 123.648 120.500 0.087 0.000 2.662 173 R HA 0.264 4.604 4.340 -0.001 0.000 0.396 173 R C -0.729 175.756 176.300 0.308 0.000 1.096 173 R CA -0.090 56.089 56.100 0.130 0.000 1.081 173 R CB 0.202 30.476 30.300 -0.043 0.000 1.382 173 R HN 0.546 nan 8.270 nan 0.000 0.580 174 K N 0.387 120.942 120.400 0.258 0.000 2.339 174 K HA 0.184 4.503 4.320 -0.001 0.000 0.264 174 K C 0.156 176.911 176.600 0.258 0.000 0.986 174 K CA -0.503 55.942 56.287 0.263 0.000 0.866 174 K CB 1.658 34.248 32.500 0.151 0.000 1.103 174 K HN -0.088 nan 8.250 nan 0.000 0.441 175 Y N 3.017 123.419 120.300 0.171 0.000 2.139 175 Y HA -0.328 4.221 4.550 -0.001 0.000 0.282 175 Y C 1.757 177.708 175.900 0.085 0.000 1.179 175 Y CA 1.922 60.019 58.100 -0.006 0.000 1.161 175 Y CB 0.434 38.841 38.460 -0.090 0.000 0.970 175 Y HN 0.644 nan 8.280 nan 0.000 0.511 176 E N -0.238 120.126 120.200 0.273 0.000 2.112 176 E HA -0.143 4.206 4.350 -0.001 0.000 0.190 176 E C 1.723 178.445 176.600 0.204 0.000 0.979 176 E CA 1.221 57.751 56.400 0.216 0.000 0.814 176 E CB -0.289 29.509 29.700 0.162 0.000 0.762 176 E HN 0.596 nan 8.360 nan 0.000 0.460 177 D N 0.911 121.417 120.400 0.177 0.000 2.117 177 D HA -0.095 4.544 4.640 -0.001 0.000 0.198 177 D C 2.207 178.669 176.300 0.271 0.000 0.982 177 D CA 0.606 54.729 54.000 0.205 0.000 0.828 177 D CB -0.320 40.559 40.800 0.131 0.000 0.967 177 D HN 0.123 nan 8.370 nan 0.000 0.464 178 L N 0.101 121.427 121.223 0.172 0.000 2.083 178 L HA -0.133 4.207 4.340 -0.001 0.000 0.209 178 L C 2.307 179.321 176.870 0.240 0.000 1.083 178 L CA 0.447 55.375 54.840 0.147 0.000 0.752 178 L CB -0.284 41.741 42.059 -0.056 0.000 0.899 178 L HN 0.068 nan 8.230 nan 0.000 0.433 179 L N -0.923 120.430 121.223 0.218 0.000 2.093 179 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 179 L C 2.212 179.194 176.870 0.186 0.000 1.085 179 L CA 1.605 56.478 54.840 0.057 0.000 0.755 179 L CB -0.643 41.351 42.059 -0.107 0.000 0.904 179 L HN 0.340 nan 8.230 nan 0.000 0.435 180 W N 0.357 121.703 121.300 0.077 0.000 2.358 180 W HA -0.182 4.477 4.660 -0.002 0.000 0.303 180 W C 2.271 178.834 176.519 0.073 0.000 1.208 180 W CA 2.424 59.811 57.345 0.070 0.000 1.274 180 W CB -0.349 29.153 29.460 0.069 0.000 1.138 180 W HN 0.223 nan 8.180 nan 0.000 0.515 181 A N -0.670 122.221 122.820 0.117 0.000 1.930 181 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 181 A C 1.716 179.234 177.584 -0.110 0.000 1.175 181 A CA 1.449 53.396 52.037 -0.150 0.000 0.627 181 A CB -1.564 17.512 19.000 0.126 0.000 0.815 181 A HN 0.646 nan 8.150 nan 0.000 0.443 182 W N 0.588 121.805 121.300 -0.139 0.000 2.407 182 W HA -0.086 4.574 4.660 -0.001 0.000 0.305 182 W C 2.081 178.536 176.519 -0.107 0.000 1.196 182 W CA 1.780 59.062 57.345 -0.105 0.000 1.311 182 W CB 0.032 29.449 29.460 -0.072 0.000 1.135 182 W HN 0.357 nan 8.180 nan 0.000 0.514 183 E N -0.097 120.205 120.200 0.170 0.000 2.072 183 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 183 E C 2.392 178.847 176.600 -0.240 0.000 0.985 183 E CA 2.070 58.464 56.400 -0.011 0.000 0.801 183 E CB -1.045 28.710 29.700 0.091 0.000 0.750 183 E HN 0.221 nan 8.360 nan 0.000 0.452 184 G N 0.701 109.282 108.800 -0.364 0.000 2.446 184 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 184 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 184 G C 1.489 176.191 174.900 -0.330 0.000 1.168 184 G CA 0.775 45.580 45.100 -0.492 0.000 0.771 184 G HN 0.467 nan 8.290 nan 0.000 0.551 185 W N 1.285 122.297 121.300 -0.479 0.000 2.338 185 W HA -0.079 4.580 4.660 -0.001 0.000 0.304 185 W C 2.641 178.941 176.519 -0.364 0.000 1.212 185 W CA 1.181 58.284 57.345 -0.404 0.000 1.264 185 W CB 0.045 29.254 29.460 -0.419 0.000 1.142 185 W HN 0.170 nan 8.180 nan 0.000 0.512 186 R N 0.195 120.397 120.500 -0.496 0.000 2.148 186 R HA -0.129 4.210 4.340 -0.001 0.000 0.223 186 R C 1.751 177.809 176.300 -0.402 0.000 1.088 186 R CA 1.750 57.532 56.100 -0.530 0.000 0.985 186 R CB -0.417 29.534 30.300 -0.581 0.000 0.880 186 R HN 0.024 nan 8.270 nan 0.000 0.451 187 D N 0.162 120.361 120.400 -0.334 0.000 2.117 187 D HA -0.106 4.534 4.640 -0.001 0.000 0.198 187 D C 1.575 177.719 176.300 -0.260 0.000 0.982 187 D CA 1.138 54.992 54.000 -0.243 0.000 0.828 187 D CB 0.179 40.864 40.800 -0.192 0.000 0.967 187 D HN 0.013 nan 8.370 nan 0.000 0.464 188 K N 0.369 120.563 120.400 -0.343 0.000 2.078 188 K HA 0.189 4.508 4.320 -0.001 0.000 0.203 188 K C 1.964 178.298 176.600 -0.443 0.000 1.043 188 K CA 0.735 56.822 56.287 -0.334 0.000 0.960 188 K CB -0.340 31.987 32.500 -0.288 0.000 0.761 188 K HN 0.027 nan 8.250 nan 0.000 0.448 189 A N 1.034 123.381 122.820 -0.790 0.000 1.878 189 A HA 0.090 4.410 4.320 -0.001 0.000 0.213 189 A C 2.418 179.728 177.584 -0.456 0.000 1.192 189 A CA 1.594 53.141 52.037 -0.817 0.000 0.619 189 A CB -1.094 16.904 19.000 -1.672 0.000 0.837 189 A HN 0.314 nan 8.150 nan 0.000 0.446 190 G N -0.195 108.311 108.800 -0.491 0.000 2.480 190 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.216 190 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.216 190 G C 1.749 176.595 174.900 -0.090 0.000 1.200 190 G CA 0.937 45.866 45.100 -0.285 0.000 0.782 190 G HN 0.498 nan 8.290 nan 0.000 0.554 191 R N 0.472 120.895 120.500 -0.128 0.000 2.091 191 R HA -0.059 4.280 4.340 -0.001 0.000 0.238 191 R C 2.910 179.172 176.300 -0.064 0.000 1.136 191 R CA 1.231 57.292 56.100 -0.065 0.000 0.959 191 R CB -0.394 29.850 30.300 -0.093 0.000 0.856 191 R HN 0.372 nan 8.270 nan 0.000 0.437 192 A N 0.758 123.525 122.820 -0.088 0.000 2.119 192 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 192 A C 1.875 179.466 177.584 0.012 0.000 1.153 192 A CA 0.759 52.760 52.037 -0.060 0.000 0.692 192 A CB -0.114 18.853 19.000 -0.054 0.000 0.799 192 A HN 0.093 nan 8.150 nan 0.000 0.458 193 I N -0.685 119.926 120.570 0.067 0.000 2.876 193 I HA -0.088 4.081 4.170 -0.001 0.000 0.264 193 I C 2.148 178.281 176.117 0.027 0.000 1.204 193 I CA 0.686 62.096 61.300 0.183 0.000 1.485 193 I CB -0.929 37.207 38.000 0.227 0.000 1.103 193 I HN 0.344 nan 8.210 nan 0.000 0.446 194 L N 1.691 122.836 121.223 -0.130 0.000 2.131 194 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 194 L C 2.559 179.285 176.870 -0.240 0.000 1.092 194 L CA 1.766 56.392 54.840 -0.357 0.000 0.759 194 L CB -0.682 41.258 42.059 -0.200 0.000 0.903 194 L HN 0.431 nan 8.230 nan 0.000 0.435 195 Q N -2.282 117.336 119.800 -0.303 0.000 2.291 195 Q HA -0.159 4.181 4.340 -0.001 0.000 0.205 195 Q C 1.721 177.508 176.000 -0.355 0.000 0.970 195 Q CA 1.844 57.414 55.803 -0.389 0.000 0.876 195 Q CB -0.584 27.809 28.738 -0.575 0.000 0.935 195 Q HN 0.530 nan 8.270 nan 0.000 0.455 196 F N -1.485 118.468 119.950 0.006 0.000 2.656 196 F HA 0.124 4.650 4.527 -0.001 0.000 0.291 196 F C 1.717 177.576 175.800 0.098 0.000 1.122 196 F CA -0.207 57.819 58.000 0.044 0.000 1.427 196 F CB 0.078 39.098 39.000 0.033 0.000 1.125 196 F HN -0.033 nan 8.300 nan 0.000 0.583 197 Y N 1.889 122.231 120.300 0.069 0.000 2.163 197 Y HA -0.064 4.485 4.550 -0.001 0.000 0.288 197 Y C -0.710 175.325 175.900 0.226 0.000 1.136 197 Y CA 1.345 59.486 58.100 0.067 0.000 1.147 197 Y CB -1.608 36.642 38.460 -0.350 0.000 0.987 197 Y HN -0.098 nan 8.280 nan 0.000 0.509 198 P HA -0.168 nan 4.420 nan 0.000 0.217 198 P C 1.338 178.711 177.300 0.122 0.000 1.150 198 P CA 1.828 65.071 63.100 0.239 0.000 0.832 198 P CB 0.061 31.866 31.700 0.174 0.000 0.787 199 K N -0.765 119.713 120.400 0.130 0.000 2.097 199 K HA -0.174 4.145 4.320 -0.001 0.000 0.205 199 K C 2.161 178.844 176.600 0.137 0.000 1.050 199 K CA 1.212 57.570 56.287 0.118 0.000 0.938 199 K CB -1.465 31.121 32.500 0.143 0.000 0.718 199 K HN 0.090 nan 8.250 nan 0.000 0.442 200 Y N 0.096 120.415 120.300 0.031 0.000 2.097 200 Y HA -0.225 4.324 4.550 -0.001 0.000 0.282 200 Y C 1.684 177.576 175.900 -0.014 0.000 1.152 200 Y CA 1.916 60.035 58.100 0.031 0.000 1.136 200 Y CB -0.544 37.853 38.460 -0.105 0.000 0.975 200 Y HN -0.134 nan 8.280 nan 0.000 0.498 201 V N 1.320 121.049 119.914 -0.307 0.000 2.332 201 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 201 V C 2.480 178.433 176.094 -0.234 0.000 1.055 201 V CA 2.317 64.436 62.300 -0.301 0.000 1.038 201 V CB -0.821 30.973 31.823 -0.049 0.000 0.651 201 V HN 0.575 nan 8.190 nan 0.000 0.450 202 E N 0.074 120.193 120.200 -0.134 0.000 2.051 202 E HA -0.215 4.134 4.350 -0.001 0.000 0.192 202 E C 2.252 178.739 176.600 -0.188 0.000 0.991 202 E CA 1.541 57.871 56.400 -0.118 0.000 0.799 202 E CB -0.113 29.558 29.700 -0.050 0.000 0.748 202 E HN 0.572 nan 8.360 nan 0.000 0.449 203 L N 0.733 121.839 121.223 -0.195 0.000 2.027 203 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 203 L C 2.774 179.293 176.870 -0.586 0.000 1.074 203 L CA 0.834 55.500 54.840 -0.290 0.000 0.745 203 L CB -0.313 41.680 42.059 -0.110 0.000 0.898 203 L HN 0.276 nan 8.230 nan 0.000 0.433 204 I N -0.015 120.128 120.570 -0.712 0.000 2.361 204 I HA -0.293 3.876 4.170 -0.001 0.000 0.251 204 I C 2.196 177.925 176.117 -0.647 0.000 1.133 204 I CA 1.180 61.995 61.300 -0.809 0.000 1.413 204 I CB -0.065 37.467 38.000 -0.782 0.000 1.073 204 I HN 0.360 nan 8.210 nan 0.000 0.424 205 N N 0.646 119.015 118.700 -0.552 0.000 2.106 205 N HA -0.253 4.486 4.740 -0.001 0.000 0.188 205 N C 1.702 177.033 175.510 -0.298 0.000 1.029 205 N CA 1.250 54.046 53.050 -0.423 0.000 0.848 205 N CB -0.418 37.892 38.487 -0.295 0.000 1.007 205 N HN 0.491 nan 8.380 nan 0.000 0.423 206 Q N 0.443 120.082 119.800 -0.268 0.000 2.061 206 Q HA -0.106 4.233 4.340 -0.001 0.000 0.204 206 Q C 1.799 177.682 176.000 -0.196 0.000 0.984 206 Q CA 1.839 57.522 55.803 -0.199 0.000 0.846 206 Q CB -0.135 28.498 28.738 -0.176 0.000 0.902 206 Q HN 0.355 nan 8.270 nan 0.000 0.421 207 A N 0.534 123.193 122.820 -0.268 0.000 1.972 207 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 207 A C 2.212 179.709 177.584 -0.145 0.000 1.169 207 A CA 1.692 53.597 52.037 -0.219 0.000 0.635 207 A CB -0.806 18.011 19.000 -0.305 0.000 0.810 207 A HN 0.577 nan 8.150 nan 0.000 0.446 208 A N -0.322 122.388 122.820 -0.184 0.000 1.897 208 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 208 A C 2.229 179.824 177.584 0.018 0.000 1.181 208 A CA 1.266 53.252 52.037 -0.085 0.000 0.620 208 A CB -0.424 18.434 19.000 -0.236 0.000 0.821 208 A HN 0.522 nan 8.150 nan 0.000 0.443 209 R N -0.527 119.935 120.500 -0.062 0.000 2.091 209 R HA -0.063 4.276 4.340 -0.001 0.000 0.238 209 R C 1.888 178.157 176.300 -0.051 0.000 1.136 209 R CA 1.484 57.552 56.100 -0.052 0.000 0.959 209 R CB -0.555 29.700 30.300 -0.076 0.000 0.856 209 R HN 0.489 nan 8.270 nan 0.000 0.437 210 L N 0.880 122.068 121.223 -0.058 0.000 2.353 210 L HA -0.125 4.215 4.340 -0.001 0.000 0.220 210 L C 1.148 177.996 176.870 -0.037 0.000 1.133 210 L CA 0.775 55.584 54.840 -0.052 0.000 0.798 210 L CB -0.186 41.838 42.059 -0.058 0.000 0.922 210 L HN 0.212 nan 8.230 nan 0.000 0.445 211 N N -0.228 118.467 118.700 -0.009 0.000 2.235 211 N HA 0.117 4.857 4.740 -0.001 0.000 0.209 211 N C 1.154 176.576 175.510 -0.146 0.000 1.122 211 N CA 0.878 53.927 53.050 -0.001 0.000 0.845 211 N CB 1.267 39.824 38.487 0.116 0.000 1.004 211 N HN 0.333 nan 8.380 nan 0.000 0.499 212 G N 0.336 109.032 108.800 -0.173 0.000 2.159 212 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.227 212 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.227 212 G C -0.310 174.352 174.900 -0.397 0.000 0.986 212 G CA -0.212 44.713 45.100 -0.291 0.000 0.651 212 G HN 0.333 nan 8.290 nan 0.000 0.523 213 Y N -1.084 119.173 120.300 -0.072 0.000 2.432 213 Y HA 0.507 5.057 4.550 -0.001 0.000 0.322 213 Y C 1.699 177.539 175.900 -0.100 0.000 1.246 213 Y CA -0.364 57.685 58.100 -0.085 0.000 1.268 213 Y CB 1.578 39.976 38.460 -0.103 0.000 1.276 213 Y HN -0.100 nan 8.280 nan 0.000 0.499 214 V N 0.175 120.137 119.914 0.079 0.000 2.649 214 V HA -0.057 4.062 4.120 -0.001 0.000 0.248 214 V C -0.392 175.674 176.094 -0.048 0.000 1.054 214 V CA 1.909 64.205 62.300 -0.006 0.000 1.073 214 V CB -0.761 31.053 31.823 -0.015 0.000 0.699 214 V HN 0.972 nan 8.190 nan 0.000 0.463 215 D N -3.722 116.630 120.400 -0.079 0.000 2.738 215 D HA 0.428 5.067 4.640 -0.001 0.000 0.308 215 D C 0.515 176.588 176.300 -0.379 0.000 1.311 215 D CA 0.043 53.922 54.000 -0.201 0.000 0.799 215 D CB 0.894 41.607 40.800 -0.146 0.000 1.332 215 D HN -0.076 nan 8.370 nan 0.000 0.441 216 A N -0.261 122.131 122.820 -0.713 0.000 1.930 216 A HA 0.201 4.520 4.320 -0.001 0.000 0.217 216 A C 2.026 178.947 177.584 -1.105 0.000 1.175 216 A CA 2.001 53.331 52.037 -1.178 0.000 0.627 216 A CB -1.460 16.284 19.000 -2.094 0.000 0.815 216 A HN 0.682 nan 8.150 nan 0.000 0.443 217 G N -0.419 108.018 108.800 -0.605 0.000 2.448 217 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 217 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 217 G C 1.270 176.013 174.900 -0.261 0.000 1.135 217 G CA 1.285 46.321 45.100 -0.106 0.000 0.784 217 G HN 0.544 nan 8.290 nan 0.000 0.543 218 D N 0.552 120.782 120.400 -0.284 0.000 2.097 218 D HA -0.108 4.531 4.640 -0.001 0.000 0.197 218 D C 2.571 178.683 176.300 -0.314 0.000 0.984 218 D CA 1.474 55.343 54.000 -0.219 0.000 0.826 218 D CB -0.423 40.328 40.800 -0.082 0.000 0.973 218 D HN 0.160 nan 8.370 nan 0.000 0.460 219 S N -1.154 114.176 115.700 -0.616 0.000 2.370 219 S HA -0.141 4.329 4.470 -0.001 0.000 0.226 219 S C 1.797 176.239 174.600 -0.263 0.000 1.033 219 S CA 1.272 58.841 58.200 -1.051 0.000 1.011 219 S CB -0.513 62.153 63.200 -0.891 0.000 0.852 219 S HN 0.402 nan 8.310 nan 0.000 0.457 220 W N 1.803 122.953 121.300 -0.251 0.000 2.379 220 W HA 0.144 4.803 4.660 -0.001 0.000 0.307 220 W C 2.634 179.203 176.519 0.084 0.000 1.200 220 W CA 0.312 57.647 57.345 -0.016 0.000 1.297 220 W CB -1.100 28.467 29.460 0.178 0.000 1.140 220 W HN 0.336 nan 8.180 nan 0.000 0.507 221 R N 0.416 121.057 120.500 0.235 0.000 2.120 221 R HA -0.122 4.218 4.340 -0.001 0.000 0.234 221 R C 2.307 178.756 176.300 0.249 0.000 1.123 221 R CA 1.735 57.940 56.100 0.174 0.000 0.975 221 R CB -0.769 29.413 30.300 -0.196 0.000 0.866 221 R HN 0.163 nan 8.270 nan 0.000 0.446 222 S N 0.465 116.255 115.700 0.149 0.000 2.474 222 S HA -0.115 4.354 4.470 -0.001 0.000 0.235 222 S C 1.953 176.689 174.600 0.227 0.000 0.997 222 S CA 0.712 59.031 58.200 0.198 0.000 0.949 222 S CB -0.143 63.200 63.200 0.238 0.000 0.766 222 S HN 0.216 nan 8.310 nan 0.000 0.517 223 M N -0.114 119.586 119.600 0.168 0.000 2.195 223 M HA -0.127 4.353 4.480 -0.001 0.000 0.260 223 M C 1.351 177.686 176.300 0.058 0.000 1.066 223 M CA 1.723 57.048 55.300 0.042 0.000 1.089 223 M CB -0.623 31.887 32.600 -0.151 0.000 1.377 223 M HN 0.417 nan 8.290 nan 0.000 0.411 224 Y N 0.138 120.579 120.300 0.236 0.000 2.544 224 Y HA 0.006 4.555 4.550 -0.001 0.000 0.286 224 Y C 0.595 176.764 175.900 0.449 0.000 1.141 224 Y CA 0.224 58.513 58.100 0.314 0.000 1.299 224 Y CB -0.263 38.341 38.460 0.240 0.000 1.030 224 Y HN 0.260 nan 8.280 nan 0.000 0.543 225 E N 0.486 120.940 120.200 0.424 0.000 2.328 225 E HA -0.199 4.150 4.350 -0.001 0.000 0.233 225 E C -0.757 176.008 176.600 0.276 0.000 1.219 225 E CA 0.788 57.365 56.400 0.296 0.000 0.717 225 E CB -1.838 27.989 29.700 0.211 0.000 1.210 225 E HN 0.226 nan 8.360 nan 0.000 0.381 226 T N -0.604 114.142 114.554 0.322 0.000 2.963 226 T HA 0.276 4.625 4.350 -0.001 0.000 0.328 226 T C -1.908 172.904 174.700 0.185 0.000 1.048 226 T CA -1.286 60.980 62.100 0.277 0.000 1.033 226 T CB 1.677 70.819 68.868 0.457 0.000 1.010 226 T HN -0.181 nan 8.240 nan 0.000 0.469 227 P HA -0.119 nan 4.420 nan 0.000 0.218 227 P C 1.532 178.881 177.300 0.080 0.000 1.148 227 P CA 0.846 63.996 63.100 0.083 0.000 0.822 227 P CB 0.099 31.836 31.700 0.061 0.000 0.784 228 S N -1.680 114.083 115.700 0.105 0.000 2.650 228 S HA 0.021 4.490 4.470 -0.001 0.000 0.219 228 S C 1.628 176.305 174.600 0.128 0.000 0.960 228 S CA -0.161 58.103 58.200 0.108 0.000 0.925 228 S CB -1.210 62.059 63.200 0.115 0.000 0.775 228 S HN -0.056 nan 8.310 nan 0.000 0.525 229 L N 2.570 123.871 121.223 0.130 0.000 1.997 229 L HA -0.186 4.153 4.340 -0.001 0.000 0.216 229 L C 2.377 179.312 176.870 0.109 0.000 1.074 229 L CA 2.075 56.990 54.840 0.127 0.000 0.763 229 L CB -0.869 41.237 42.059 0.079 0.000 0.890 229 L HN 0.342 nan 8.230 nan 0.000 0.434 230 E N -1.060 119.177 120.200 0.061 0.000 2.085 230 E HA -0.279 4.070 4.350 -0.001 0.000 0.194 230 E C 2.109 178.801 176.600 0.153 0.000 0.994 230 E CA 1.632 58.092 56.400 0.100 0.000 0.801 230 E CB -0.195 29.527 29.700 0.036 0.000 0.743 230 E HN 0.704 nan 8.360 nan 0.000 0.453 231 Q N 0.626 120.504 119.800 0.130 0.000 2.046 231 Q HA -0.157 4.182 4.340 -0.001 0.000 0.200 231 Q C 1.869 177.970 176.000 0.168 0.000 0.975 231 Q CA 1.182 57.069 55.803 0.140 0.000 0.836 231 Q CB -0.014 28.791 28.738 0.112 0.000 0.896 231 Q HN 0.200 nan 8.270 nan 0.000 0.428 232 D N 0.980 121.488 120.400 0.179 0.000 2.106 232 D HA -0.171 4.469 4.640 -0.001 0.000 0.191 232 D C 1.985 178.440 176.300 0.258 0.000 0.997 232 D CA 1.170 55.297 54.000 0.213 0.000 0.834 232 D CB -0.250 40.695 40.800 0.241 0.000 0.956 232 D HN 0.196 nan 8.370 nan 0.000 0.448 233 L N 0.403 121.795 121.223 0.281 0.000 2.046 233 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 233 L C 2.453 179.508 176.870 0.308 0.000 1.077 233 L CA 0.982 56.045 54.840 0.371 0.000 0.747 233 L CB -0.422 41.787 42.059 0.250 0.000 0.896 233 L HN -0.040 nan 8.230 nan 0.000 0.432 234 E N 0.787 121.146 120.200 0.266 0.000 2.051 234 E HA -0.213 4.136 4.350 -0.001 0.000 0.192 234 E C 2.302 179.010 176.600 0.179 0.000 0.991 234 E CA 1.465 57.981 56.400 0.195 0.000 0.799 234 E CB -0.024 29.813 29.700 0.227 0.000 0.748 234 E HN 0.194 nan 8.360 nan 0.000 0.449 235 R N -0.410 120.197 120.500 0.179 0.000 2.081 235 R HA -0.074 4.266 4.340 -0.001 0.000 0.235 235 R C 2.534 178.925 176.300 0.151 0.000 1.131 235 R CA 1.465 57.654 56.100 0.149 0.000 0.960 235 R CB -0.369 30.014 30.300 0.139 0.000 0.856 235 R HN 0.267 nan 8.270 nan 0.000 0.436 236 L N -0.612 120.742 121.223 0.219 0.000 2.093 236 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 236 L C 2.235 179.247 176.870 0.236 0.000 1.085 236 L CA 0.903 55.880 54.840 0.228 0.000 0.755 236 L CB -0.383 41.860 42.059 0.306 0.000 0.904 236 L HN 0.155 nan 8.230 nan 0.000 0.435 237 F N 0.785 120.804 119.950 0.115 0.000 2.113 237 F HA -0.220 4.307 4.527 -0.001 0.000 0.297 237 F C 2.681 178.442 175.800 -0.065 0.000 1.103 237 F CA 1.477 59.430 58.000 -0.079 0.000 1.248 237 F CB -0.196 38.370 39.000 -0.723 0.000 0.999 237 F HN 0.026 nan 8.300 nan 0.000 0.475 238 Q N 0.679 120.415 119.800 -0.107 0.000 2.226 238 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 238 Q C 2.094 178.015 176.000 -0.132 0.000 0.975 238 Q CA 1.535 57.245 55.803 -0.155 0.000 0.866 238 Q CB -0.563 28.181 28.738 0.011 0.000 0.915 238 Q HN 0.629 nan 8.270 nan 0.000 0.440 239 E N 0.237 120.400 120.200 -0.063 0.000 2.110 239 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 239 E C 1.316 177.875 176.600 -0.068 0.000 0.988 239 E CA 0.700 57.080 56.400 -0.034 0.000 0.804 239 E CB 0.072 29.779 29.700 0.011 0.000 0.745 239 E HN 0.273 nan 8.360 nan 0.000 0.458 240 L N 1.033 122.181 121.223 -0.125 0.000 2.653 240 L HA 0.017 4.357 4.340 -0.001 0.000 0.231 240 L C 2.062 178.838 176.870 -0.157 0.000 1.153 240 L CA -0.234 54.535 54.840 -0.118 0.000 0.933 240 L CB 0.221 42.221 42.059 -0.097 0.000 1.175 240 L HN -0.012 nan 8.230 nan 0.000 0.473 241 Q N 0.629 120.294 119.800 -0.226 0.000 1.993 241 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 241 Q C -0.288 175.691 176.000 -0.035 0.000 0.984 241 Q CA 1.789 57.486 55.803 -0.176 0.000 0.837 241 Q CB -1.252 27.357 28.738 -0.214 0.000 0.902 241 Q HN 0.335 nan 8.270 nan 0.000 0.423 242 P HA -0.158 nan 4.420 nan 0.000 0.216 242 P C 1.526 178.827 177.300 0.003 0.000 1.153 242 P CA 0.914 64.004 63.100 -0.017 0.000 0.858 242 P CB -0.124 31.567 31.700 -0.016 0.000 0.789 243 L N -1.987 119.237 121.223 0.003 0.000 2.141 243 L HA -0.120 4.219 4.340 -0.001 0.000 0.209 243 L C 2.286 179.164 176.870 0.014 0.000 1.094 243 L CA 1.667 56.504 54.840 -0.005 0.000 0.763 243 L CB -1.521 40.520 42.059 -0.030 0.000 0.908 243 L HN -0.063 nan 8.230 nan 0.000 0.437 244 Y N -0.739 119.529 120.300 -0.053 0.000 2.243 244 Y HA -0.101 4.448 4.550 -0.001 0.000 0.293 244 Y C 2.177 178.163 175.900 0.143 0.000 1.124 244 Y CA 1.524 59.627 58.100 0.006 0.000 1.159 244 Y CB -0.131 38.325 38.460 -0.008 0.000 1.008 244 Y HN 0.138 nan 8.280 nan 0.000 0.527 245 L N 0.171 121.397 121.223 0.005 0.000 2.093 245 L HA -0.225 4.114 4.340 -0.001 0.000 0.208 245 L C 2.160 179.050 176.870 0.033 0.000 1.085 245 L CA 1.269 56.107 54.840 -0.004 0.000 0.755 245 L CB -0.607 41.445 42.059 -0.012 0.000 0.904 245 L HN 0.300 nan 8.230 nan 0.000 0.435 246 N N 0.143 118.857 118.700 0.022 0.000 2.216 246 N HA -0.148 4.591 4.740 -0.001 0.000 0.183 246 N C 1.881 177.450 175.510 0.100 0.000 1.017 246 N CA 1.036 54.119 53.050 0.054 0.000 0.861 246 N CB -0.018 38.487 38.487 0.030 0.000 0.986 246 N HN 0.189 nan 8.380 nan 0.000 0.428 247 L N 1.257 122.512 121.223 0.053 0.000 2.093 247 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 247 L C 2.378 179.398 176.870 0.251 0.000 1.085 247 L CA 1.662 56.580 54.840 0.130 0.000 0.755 247 L CB -0.784 41.287 42.059 0.020 0.000 0.904 247 L HN 0.264 nan 8.230 nan 0.000 0.435 248 H N -0.346 118.722 119.070 -0.003 0.000 2.321 248 H HA -0.125 4.430 4.556 -0.001 0.000 0.300 248 H C 1.943 177.351 175.328 0.132 0.000 1.087 248 H CA 1.668 57.786 56.048 0.116 0.000 1.319 248 H CB 0.176 29.916 29.762 -0.038 0.000 1.379 248 H HN 0.458 nan 8.280 nan 0.000 0.501 249 A N 0.384 123.356 122.820 0.255 0.000 1.902 249 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 249 A C 2.370 180.008 177.584 0.090 0.000 1.181 249 A CA 1.496 53.631 52.037 0.164 0.000 0.623 249 A CB -1.251 17.837 19.000 0.148 0.000 0.818 249 A HN 0.627 nan 8.150 nan 0.000 0.443 250 Y N 0.589 120.901 120.300 0.020 0.000 2.181 250 Y HA -0.150 4.400 4.550 -0.001 0.000 0.288 250 Y C 2.257 178.143 175.900 -0.023 0.000 1.146 250 Y CA 1.913 60.013 58.100 0.000 0.000 1.164 250 Y CB -0.190 38.316 38.460 0.077 0.000 0.982 250 Y HN 0.070 nan 8.280 nan 0.000 0.515 251 V N 0.641 120.535 119.914 -0.032 0.000 2.591 251 V HA -0.185 3.934 4.120 -0.001 0.000 0.249 251 V C 2.461 178.410 176.094 -0.242 0.000 1.053 251 V CA 1.884 64.089 62.300 -0.158 0.000 1.068 251 V CB -0.676 31.121 31.823 -0.043 0.000 0.689 251 V HN 0.301 nan 8.190 nan 0.000 0.462 252 R N 0.533 120.893 120.500 -0.235 0.000 2.081 252 R HA -0.221 4.119 4.340 -0.001 0.000 0.235 252 R C 2.466 178.688 176.300 -0.131 0.000 1.131 252 R CA 1.820 57.797 56.100 -0.206 0.000 0.960 252 R CB -0.201 29.986 30.300 -0.188 0.000 0.856 252 R HN 0.357 nan 8.270 nan 0.000 0.436 253 R N 0.603 120.999 120.500 -0.174 0.000 2.081 253 R HA -0.047 4.292 4.340 -0.001 0.000 0.235 253 R C 1.906 178.104 176.300 -0.170 0.000 1.131 253 R CA 1.976 57.958 56.100 -0.196 0.000 0.960 253 R CB -0.676 29.445 30.300 -0.298 0.000 0.856 253 R HN 0.326 nan 8.270 nan 0.000 0.436 254 A N 0.260 122.917 122.820 -0.271 0.000 1.930 254 A HA -0.010 4.309 4.320 -0.001 0.000 0.217 254 A C 2.225 179.754 177.584 -0.091 0.000 1.175 254 A CA 1.289 53.182 52.037 -0.241 0.000 0.627 254 A CB -0.475 18.314 19.000 -0.351 0.000 0.815 254 A HN 0.353 nan 8.150 nan 0.000 0.443 255 L N -1.460 119.736 121.223 -0.045 0.000 2.141 255 L HA -0.166 4.173 4.340 -0.001 0.000 0.209 255 L C 2.657 179.627 176.870 0.167 0.000 1.094 255 L CA 1.339 56.248 54.840 0.116 0.000 0.763 255 L CB -0.741 41.365 42.059 0.080 0.000 0.908 255 L HN 0.570 nan 8.230 nan 0.000 0.437 256 H N 0.989 120.055 119.070 -0.007 0.000 2.319 256 H HA -0.187 4.368 4.556 -0.001 0.000 0.299 256 H C 2.479 177.796 175.328 -0.018 0.000 1.092 256 H CA 1.970 58.009 56.048 -0.016 0.000 1.302 256 H CB 0.224 29.940 29.762 -0.077 0.000 1.373 256 H HN 0.182 nan 8.280 nan 0.000 0.497 257 R N -1.006 119.532 120.500 0.062 0.000 2.080 257 R HA -0.189 4.150 4.340 -0.001 0.000 0.236 257 R C 2.574 178.830 176.300 -0.073 0.000 1.137 257 R CA 2.120 58.212 56.100 -0.013 0.000 0.943 257 R CB -0.385 29.897 30.300 -0.031 0.000 0.846 257 R HN 0.452 nan 8.270 nan 0.000 0.431 258 H N -1.640 117.334 119.070 -0.160 0.000 2.343 258 H HA -0.048 4.507 4.556 -0.001 0.000 0.303 258 H C 1.033 176.175 175.328 -0.310 0.000 1.068 258 H CA 1.721 57.592 56.048 -0.294 0.000 1.359 258 H CB 0.134 29.614 29.762 -0.470 0.000 1.402 258 H HN 0.243 nan 8.280 nan 0.000 0.515 259 Y N -0.096 120.244 120.300 0.067 0.000 2.457 259 Y HA 0.267 4.816 4.550 -0.001 0.000 0.263 259 Y C 0.861 176.790 175.900 0.050 0.000 1.164 259 Y CA 0.121 58.273 58.100 0.086 0.000 1.274 259 Y CB 0.950 39.526 38.460 0.194 0.000 1.097 259 Y HN 0.478 nan 8.280 nan 0.000 0.523 260 G N -0.090 108.724 108.800 0.023 0.000 2.712 260 G HA2 0.001 3.961 3.960 -0.001 0.000 0.686 260 G HA3 0.001 3.961 3.960 -0.001 0.000 0.686 260 G C 0.514 175.246 174.900 -0.280 0.000 1.181 260 G CA -0.558 44.478 45.100 -0.108 0.000 0.762 260 G HN 0.328 nan 8.290 nan 0.000 0.641 261 A N 0.493 123.041 122.820 -0.454 0.000 2.070 261 A HA 0.001 4.321 4.320 -0.001 0.000 0.220 261 A C 2.181 179.631 177.584 -0.224 0.000 1.159 261 A CA 2.288 54.041 52.037 -0.473 0.000 0.656 261 A CB -0.185 18.661 19.000 -0.256 0.000 0.800 261 A HN 0.725 nan 8.150 nan 0.000 0.453 262 Q N -1.120 118.492 119.800 -0.314 0.000 2.389 262 Q HA -0.069 4.270 4.340 -0.001 0.000 0.204 262 Q C 0.697 176.457 176.000 -0.399 0.000 0.944 262 Q CA 1.202 56.763 55.803 -0.402 0.000 0.908 262 Q CB -0.082 28.306 28.738 -0.583 0.000 1.002 262 Q HN 0.980 nan 8.270 nan 0.000 0.493 263 H N -1.540 117.537 119.070 0.011 0.000 2.986 263 H HA 0.253 4.809 4.556 -0.001 0.000 0.267 263 H C -0.022 175.470 175.328 0.273 0.000 1.072 263 H CA -0.246 55.849 56.048 0.078 0.000 1.202 263 H CB 1.368 31.015 29.762 -0.192 0.000 1.535 263 H HN -0.049 nan 8.280 nan 0.000 0.522 264 I N 1.726 122.405 120.570 0.183 0.000 2.466 264 I HA 0.152 4.321 4.170 -0.001 0.000 0.289 264 I C -0.497 175.488 176.117 -0.220 0.000 1.026 264 I CA -0.743 60.582 61.300 0.042 0.000 1.078 264 I CB 1.534 39.601 38.000 0.112 0.000 1.249 264 I HN 0.184 nan 8.210 nan 0.000 0.429 265 N N 6.189 124.433 118.700 -0.760 0.000 2.426 265 N HA 0.303 5.043 4.740 -0.001 0.000 0.257 265 N C 0.647 175.924 175.510 -0.388 0.000 1.002 265 N CA -0.246 52.312 53.050 -0.820 0.000 0.942 265 N CB 1.298 38.748 38.487 -1.728 0.000 1.112 265 N HN 0.538 nan 8.380 nan 0.000 0.499 266 L N 2.278 123.350 121.223 -0.253 0.000 2.551 266 L HA 0.046 4.385 4.340 -0.001 0.000 0.228 266 L C 0.961 177.770 176.870 -0.102 0.000 1.153 266 L CA 0.882 55.609 54.840 -0.189 0.000 0.851 266 L CB 0.056 41.955 42.059 -0.267 0.000 0.959 266 L HN 0.575 nan 8.230 nan 0.000 0.451 267 E N -0.738 119.397 120.200 -0.108 0.000 2.603 267 E HA 0.192 4.541 4.350 -0.001 0.000 0.211 267 E C 0.751 177.390 176.600 0.066 0.000 0.995 267 E CA -0.164 56.230 56.400 -0.010 0.000 0.990 267 E CB 0.959 30.641 29.700 -0.030 0.000 1.036 267 E HN 0.363 nan 8.360 nan 0.000 0.475 268 G N 2.053 110.852 108.800 -0.001 0.000 3.016 268 G HA2 0.430 4.390 3.960 -0.001 0.000 0.270 268 G HA3 0.430 4.390 3.960 -0.001 0.000 0.270 268 G C -2.782 172.279 174.900 0.269 0.000 1.352 268 G CA -1.399 43.764 45.100 0.106 0.000 1.060 268 G HN -0.193 nan 8.290 nan 0.000 0.538 269 P HA 0.301 nan 4.420 nan 0.000 0.278 269 P C -0.361 177.086 177.300 0.244 0.000 1.238 269 P CA -0.200 63.034 63.100 0.224 0.000 0.794 269 P CB 1.435 33.227 31.700 0.153 0.000 0.955 270 I N 3.970 124.618 120.570 0.130 0.000 2.471 270 I HA 0.134 4.303 4.170 -0.001 0.000 0.286 270 I C -1.915 174.239 176.117 0.062 0.000 1.079 270 I CA -2.320 58.991 61.300 0.018 0.000 1.398 270 I CB 0.362 38.226 38.000 -0.226 0.000 1.403 270 I HN 0.122 nan 8.210 nan 0.000 0.530 271 P HA -0.046 nan 4.420 nan 0.000 0.263 271 P C 0.170 177.417 177.300 -0.088 0.000 1.195 271 P CA 0.058 63.162 63.100 0.006 0.000 0.762 271 P CB 0.781 32.544 31.700 0.105 0.000 0.799 272 A N 3.672 126.411 122.820 -0.134 0.000 2.239 272 A HA -0.144 4.175 4.320 -0.001 0.000 0.209 272 A C 1.281 178.759 177.584 -0.177 0.000 1.171 272 A CA 0.915 52.933 52.037 -0.033 0.000 0.768 272 A CB -1.120 18.098 19.000 0.362 0.000 0.790 272 A HN 0.704 nan 8.150 nan 0.000 0.478 273 H N -1.723 116.964 119.070 -0.639 0.000 2.586 273 H HA 0.311 4.867 4.556 -0.001 0.000 0.273 273 H C 0.749 175.842 175.328 -0.392 0.000 0.997 273 H CA -0.132 55.577 56.048 -0.565 0.000 1.177 273 H CB -0.558 28.743 29.762 -0.768 0.000 1.471 273 H HN 0.417 nan 8.280 nan 0.000 0.538 274 L N 0.987 121.846 121.223 -0.607 0.000 2.769 274 L HA 0.159 4.498 4.340 -0.001 0.000 0.240 274 L C 0.634 177.286 176.870 -0.362 0.000 1.163 274 L CA -0.058 54.409 54.840 -0.623 0.000 0.962 274 L CB 0.433 42.043 42.059 -0.749 0.000 1.258 274 L HN 0.106 nan 8.230 nan 0.000 0.513 275 L N -0.003 121.038 121.223 -0.303 0.000 2.769 275 L HA 0.383 4.722 4.340 -0.001 0.000 0.240 275 L C 1.467 178.299 176.870 -0.063 0.000 1.163 275 L CA 0.711 55.364 54.840 -0.310 0.000 0.962 275 L CB -0.588 41.118 42.059 -0.589 0.000 1.258 275 L HN 0.422 nan 8.230 nan 0.000 0.513 276 G N 1.095 109.867 108.800 -0.047 0.000 2.159 276 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.256 276 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.256 276 G C 0.287 175.213 174.900 0.043 0.000 0.977 276 G CA 0.446 45.555 45.100 0.015 0.000 0.652 276 G HN 0.452 nan 8.290 nan 0.000 0.531 277 N N -0.935 117.792 118.700 0.045 0.000 2.308 277 N HA 0.405 5.144 4.740 -0.001 0.000 0.283 277 N C 1.136 176.618 175.510 -0.047 0.000 1.105 277 N CA -0.230 52.847 53.050 0.046 0.000 0.840 277 N CB 1.404 39.995 38.487 0.174 0.000 1.633 277 N HN -0.038 nan 8.380 nan 0.000 0.476 278 M N 2.242 121.648 119.600 -0.323 0.000 2.144 278 M HA 0.035 4.514 4.480 -0.001 0.000 0.260 278 M C 0.697 176.670 176.300 -0.545 0.000 1.067 278 M CA 1.796 56.682 55.300 -0.690 0.000 1.095 278 M CB -0.187 31.444 32.600 -1.614 0.000 1.365 278 M HN 0.628 nan 8.290 nan 0.000 0.406 279 W N -0.580 120.788 121.300 0.114 0.000 3.132 279 W HA 0.561 5.221 4.660 -0.001 0.000 0.364 279 W C 1.041 177.583 176.519 0.038 0.000 1.129 279 W CA 0.207 57.607 57.345 0.091 0.000 1.815 279 W CB -0.947 28.479 29.460 -0.055 0.000 1.099 279 W HN 0.420 nan 8.180 nan 0.000 0.605 280 A N 2.125 125.094 122.820 0.249 0.000 2.748 280 A HA -0.338 3.981 4.320 -0.001 0.000 0.297 280 A C 1.680 179.470 177.584 0.344 0.000 1.508 280 A CA 1.997 54.224 52.037 0.317 0.000 0.799 280 A CB -1.955 17.227 19.000 0.302 0.000 1.011 280 A HN 0.622 nan 8.150 nan 0.000 0.500 281 Q N -0.683 119.146 119.800 0.048 0.000 2.297 281 Q HA 0.124 4.463 4.340 -0.001 0.000 0.203 281 Q C 0.733 176.829 176.000 0.160 0.000 0.931 281 Q CA 1.300 56.975 55.803 -0.214 0.000 0.885 281 Q CB -0.075 28.212 28.738 -0.751 0.000 0.991 281 Q HN 1.196 nan 8.270 nan 0.000 0.498 282 T N -3.149 111.551 114.554 0.244 0.000 2.900 282 T HA 0.425 4.774 4.350 -0.001 0.000 0.295 282 T C -0.844 174.130 174.700 0.457 0.000 1.044 282 T CA -0.878 61.353 62.100 0.220 0.000 0.995 282 T CB 1.063 70.017 68.868 0.144 0.000 1.072 282 T HN 0.301 nan 8.240 nan 0.000 0.473 283 W N 0.997 122.376 121.300 0.132 0.000 2.846 283 W HA 0.273 4.933 4.660 -0.001 0.000 0.391 283 W C 1.943 178.528 176.519 0.109 0.000 1.011 283 W CA -0.666 56.745 57.345 0.111 0.000 1.832 283 W CB -0.916 28.616 29.460 0.121 0.000 1.151 283 W HN 0.914 nan 8.180 nan 0.000 0.582 284 S N -0.057 115.818 115.700 0.292 0.000 2.447 284 S HA -0.153 4.316 4.470 -0.001 0.000 0.233 284 S C 1.416 176.134 174.600 0.196 0.000 1.006 284 S CA 1.066 59.397 58.200 0.218 0.000 0.957 284 S CB -0.294 62.980 63.200 0.123 0.000 0.773 284 S HN 0.125 nan 8.310 nan 0.000 0.507 285 N N 2.075 120.874 118.700 0.166 0.000 2.459 285 N HA 0.082 4.821 4.740 -0.001 0.000 0.181 285 N C 1.355 176.932 175.510 0.112 0.000 1.046 285 N CA 1.202 54.324 53.050 0.120 0.000 0.904 285 N CB -0.263 38.275 38.487 0.085 0.000 0.964 285 N HN 0.839 nan 8.380 nan 0.000 0.444 286 I N -2.706 117.939 120.570 0.124 0.000 3.884 286 I HA 0.146 4.315 4.170 -0.001 0.000 0.330 286 I C 1.610 177.784 176.117 0.095 0.000 1.451 286 I CA -0.500 60.837 61.300 0.062 0.000 1.165 286 I CB -0.406 37.589 38.000 -0.008 0.000 1.097 286 I HN -0.191 nan 8.210 nan 0.000 0.404 287 Y N 3.463 123.795 120.300 0.053 0.000 2.193 287 Y HA -0.353 4.196 4.550 -0.001 0.000 0.285 287 Y C 2.250 178.172 175.900 0.036 0.000 1.166 287 Y CA 2.296 60.434 58.100 0.064 0.000 1.181 287 Y CB -0.222 38.279 38.460 0.069 0.000 0.976 287 Y HN 0.584 nan 8.280 nan 0.000 0.520 288 D N -0.225 120.173 120.400 -0.003 0.000 2.218 288 D HA -0.214 4.425 4.640 -0.001 0.000 0.204 288 D C 1.881 178.090 176.300 -0.152 0.000 0.976 288 D CA 1.362 55.312 54.000 -0.082 0.000 0.853 288 D CB -0.710 40.095 40.800 0.008 0.000 0.939 288 D HN 0.489 nan 8.370 nan 0.000 0.481 289 L N 0.693 121.824 121.223 -0.153 0.000 2.492 289 L HA -0.007 4.332 4.340 -0.001 0.000 0.223 289 L C 2.045 178.806 176.870 -0.183 0.000 1.132 289 L CA 0.413 55.146 54.840 -0.178 0.000 0.850 289 L CB 0.298 42.233 42.059 -0.207 0.000 0.966 289 L HN 0.083 nan 8.230 nan 0.000 0.454 290 V N -5.320 114.476 119.914 -0.198 0.000 3.398 290 V HA 0.215 4.335 4.120 -0.001 0.000 0.298 290 V C 0.774 176.798 176.094 -0.116 0.000 1.496 290 V CA -0.440 61.766 62.300 -0.157 0.000 1.044 290 V CB 0.181 31.993 31.823 -0.018 0.000 0.880 290 V HN -0.090 nan 8.190 nan 0.000 0.443 291 V N 3.148 122.847 119.914 -0.357 0.000 2.621 291 V HA -0.000 4.119 4.120 -0.001 0.000 0.300 291 V C -0.464 175.535 176.094 -0.159 0.000 1.031 291 V CA 0.498 62.545 62.300 -0.422 0.000 1.210 291 V CB 0.146 31.752 31.823 -0.362 0.000 0.864 291 V HN 0.418 nan 8.190 nan 0.000 0.477 292 P HA -0.085 nan 4.420 nan 0.000 0.215 292 P C 0.208 177.139 177.300 -0.614 0.000 1.153 292 P CA 1.452 64.282 63.100 -0.451 0.000 0.853 292 P CB 0.121 31.223 31.700 -0.998 0.000 0.788 293 F N -1.480 118.426 119.950 -0.074 0.000 2.564 293 F HA 0.309 4.835 4.527 -0.001 0.000 0.361 293 F C -1.641 174.135 175.800 -0.040 0.000 1.161 293 F CA -2.042 55.936 58.000 -0.037 0.000 1.198 293 F CB 1.308 40.257 39.000 -0.086 0.000 1.424 293 F HN -0.063 nan 8.300 nan 0.000 0.517 294 P HA -0.148 nan 4.420 nan 0.000 0.225 294 P C 1.500 178.843 177.300 0.071 0.000 1.148 294 P CA 1.144 64.278 63.100 0.056 0.000 0.779 294 P CB 0.082 31.796 31.700 0.022 0.000 0.780 295 S N -0.502 115.254 115.700 0.094 0.000 2.469 295 S HA 0.041 4.510 4.470 -0.001 0.000 0.238 295 S C 1.289 175.911 174.600 0.037 0.000 0.998 295 S CA 0.486 58.727 58.200 0.069 0.000 0.957 295 S CB -0.828 62.421 63.200 0.081 0.000 0.764 295 S HN 0.177 nan 8.310 nan 0.000 0.514 296 A N 3.179 126.009 122.820 0.017 0.000 2.644 296 A HA 0.621 4.941 4.320 -0.001 0.000 0.343 296 A C -2.596 175.026 177.584 0.062 0.000 1.324 296 A CA -1.733 50.272 52.037 -0.053 0.000 0.846 296 A CB 0.415 19.169 19.000 -0.410 0.000 1.128 296 A HN 0.374 nan 8.150 nan 0.000 0.484 297 P HA 0.322 nan 4.420 nan 0.000 0.280 297 P C -0.174 177.225 177.300 0.165 0.000 1.244 297 P CA 0.068 63.246 63.100 0.130 0.000 0.784 297 P CB 1.547 33.304 31.700 0.094 0.000 0.913 298 S N 2.326 118.130 115.700 0.173 0.000 2.549 298 S HA 0.445 4.915 4.470 -0.001 0.000 0.297 298 S C 0.457 175.110 174.600 0.089 0.000 1.115 298 S CA -0.671 57.613 58.200 0.139 0.000 1.059 298 S CB 0.430 63.719 63.200 0.149 0.000 1.046 298 S HN 0.374 nan 8.310 nan 0.000 0.506 299 M N 2.280 121.912 119.600 0.053 0.000 2.246 299 M HA -0.012 4.467 4.480 -0.001 0.000 0.327 299 M C 0.198 176.511 176.300 0.021 0.000 1.090 299 M CA 0.169 55.487 55.300 0.031 0.000 1.087 299 M CB 0.013 32.620 32.600 0.013 0.000 1.587 299 M HN 0.539 nan 8.290 nan 0.000 0.444 300 D N 2.458 122.868 120.400 0.018 0.000 2.385 300 D HA -0.005 4.634 4.640 -0.001 0.000 0.260 300 D C 1.248 177.531 176.300 -0.029 0.000 1.326 300 D CA 0.090 54.093 54.000 0.006 0.000 1.023 300 D CB 0.513 41.320 40.800 0.012 0.000 1.083 300 D HN 0.657 nan 8.370 nan 0.000 0.517 301 T N -0.045 114.480 114.554 -0.048 0.000 2.803 301 T HA -0.181 4.169 4.350 -0.001 0.000 0.269 301 T C 1.771 176.392 174.700 -0.132 0.000 1.052 301 T CA 1.394 63.434 62.100 -0.100 0.000 1.136 301 T CB -0.261 68.543 68.868 -0.105 0.000 0.864 301 T HN 0.263 nan 8.240 nan 0.000 0.467 302 T N 1.543 116.047 114.554 -0.083 0.000 2.732 302 T HA -0.016 4.333 4.350 -0.001 0.000 0.261 302 T C 1.962 176.628 174.700 -0.058 0.000 1.040 302 T CA 1.011 63.069 62.100 -0.071 0.000 1.145 302 T CB -0.271 68.579 68.868 -0.030 0.000 0.866 302 T HN 0.364 nan 8.240 nan 0.000 0.427 303 E N 0.912 121.093 120.200 -0.032 0.000 2.204 303 E HA -0.056 4.293 4.350 -0.001 0.000 0.195 303 E C 2.429 179.013 176.600 -0.026 0.000 0.990 303 E CA 0.856 57.247 56.400 -0.015 0.000 0.821 303 E CB -0.184 29.516 29.700 0.001 0.000 0.750 303 E HN 0.442 nan 8.360 nan 0.000 0.477 304 A N 0.638 123.423 122.820 -0.057 0.000 1.933 304 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 304 A C 2.185 179.691 177.584 -0.131 0.000 1.175 304 A CA 1.313 53.305 52.037 -0.076 0.000 0.628 304 A CB -0.376 18.565 19.000 -0.097 0.000 0.814 304 A HN 0.175 nan 8.150 nan 0.000 0.444 305 M N -0.742 118.720 119.600 -0.230 0.000 2.156 305 M HA -0.025 4.454 4.480 -0.001 0.000 0.264 305 M C 2.015 178.321 176.300 0.010 0.000 1.067 305 M CA 1.170 56.268 55.300 -0.337 0.000 1.131 305 M CB -0.370 31.980 32.600 -0.417 0.000 1.368 305 M HN 0.367 nan 8.290 nan 0.000 0.416 306 L N -0.366 120.869 121.223 0.020 0.000 2.056 306 L HA -0.186 4.153 4.340 -0.001 0.000 0.207 306 L C 2.446 179.365 176.870 0.082 0.000 1.078 306 L CA 1.150 56.033 54.840 0.071 0.000 0.749 306 L CB -0.719 41.367 42.059 0.045 0.000 0.901 306 L HN 0.235 nan 8.230 nan 0.000 0.433 307 K N 0.548 120.982 120.400 0.057 0.000 2.009 307 K HA -0.206 4.114 4.320 -0.001 0.000 0.210 307 K C 1.584 178.239 176.600 0.092 0.000 1.049 307 K CA 1.615 57.938 56.287 0.060 0.000 0.929 307 K CB -0.200 32.324 32.500 0.039 0.000 0.714 307 K HN 0.508 nan 8.250 nan 0.000 0.440 308 Q N 0.139 120.023 119.800 0.140 0.000 2.225 308 Q HA 0.168 4.508 4.340 -0.001 0.000 0.222 308 Q C 0.281 176.434 176.000 0.255 0.000 0.887 308 Q CA 0.321 56.240 55.803 0.193 0.000 0.958 308 Q CB 0.283 29.157 28.738 0.226 0.000 1.058 308 Q HN 0.337 nan 8.270 nan 0.000 0.459 309 G N 1.246 110.174 108.800 0.212 0.000 2.323 309 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.292 309 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.292 309 G C -0.690 174.335 174.900 0.207 0.000 1.040 309 G CA -0.237 44.965 45.100 0.170 0.000 0.942 309 G HN 0.469 nan 8.290 nan 0.000 0.506 310 W N 0.608 121.929 121.300 0.034 0.000 2.210 310 W HA 0.511 5.171 4.660 -0.001 0.000 0.330 310 W C 1.326 177.881 176.519 0.059 0.000 1.334 310 W CA 0.601 57.974 57.345 0.046 0.000 1.227 310 W CB 0.680 30.168 29.460 0.046 0.000 1.178 310 W HN 0.479 nan 8.180 nan 0.000 0.560 311 T N 0.537 115.222 114.554 0.218 0.000 2.949 311 T HA 0.408 4.757 4.350 -0.001 0.000 0.287 311 T C -2.015 172.833 174.700 0.247 0.000 1.034 311 T CA -2.051 60.162 62.100 0.189 0.000 1.018 311 T CB 1.804 70.743 68.868 0.118 0.000 1.135 311 T HN 0.020 nan 8.240 nan 0.000 0.532 312 P HA -0.120 nan 4.420 nan 0.000 0.216 312 P C 1.653 179.243 177.300 0.484 0.000 1.153 312 P CA 1.080 64.394 63.100 0.357 0.000 0.858 312 P CB 0.041 31.938 31.700 0.328 0.000 0.789 313 R N -0.030 120.683 120.500 0.356 0.000 2.091 313 R HA -0.196 4.143 4.340 -0.001 0.000 0.238 313 R C 2.417 178.909 176.300 0.321 0.000 1.136 313 R CA 1.698 58.021 56.100 0.373 0.000 0.959 313 R CB -0.519 29.895 30.300 0.190 0.000 0.856 313 R HN -0.109 nan 8.270 nan 0.000 0.437 314 R N 0.393 120.978 120.500 0.142 0.000 2.091 314 R HA -0.077 4.262 4.340 -0.001 0.000 0.238 314 R C 2.093 178.417 176.300 0.041 0.000 1.136 314 R CA 2.204 58.275 56.100 -0.048 0.000 0.959 314 R CB -0.351 29.777 30.300 -0.287 0.000 0.856 314 R HN 0.335 nan 8.270 nan 0.000 0.437 315 M N -0.900 118.830 119.600 0.216 0.000 2.117 315 M HA -0.076 4.404 4.480 -0.001 0.000 0.262 315 M C 1.674 178.008 176.300 0.056 0.000 1.065 315 M CA 1.673 57.103 55.300 0.217 0.000 1.114 315 M CB -0.258 32.427 32.600 0.141 0.000 1.361 315 M HN 0.090 nan 8.290 nan 0.000 0.408 316 F N 0.101 120.212 119.950 0.269 0.000 2.259 316 F HA -0.072 4.454 4.527 -0.001 0.000 0.298 316 F C 2.377 178.421 175.800 0.407 0.000 1.088 316 F CA 0.850 59.029 58.000 0.297 0.000 1.358 316 F CB -0.384 38.861 39.000 0.408 0.000 1.040 316 F HN -0.065 nan 8.300 nan 0.000 0.505 317 K N 0.418 121.162 120.400 0.573 0.000 2.148 317 K HA -0.120 4.199 4.320 -0.001 0.000 0.204 317 K C 1.820 178.568 176.600 0.245 0.000 1.050 317 K CA 1.041 57.552 56.287 0.374 0.000 0.942 317 K CB -0.249 32.289 32.500 0.062 0.000 0.724 317 K HN 0.273 nan 8.250 nan 0.000 0.446 318 E N 0.192 120.511 120.200 0.198 0.000 2.158 318 E HA -0.038 4.311 4.350 -0.001 0.000 0.191 318 E C 1.911 178.706 176.600 0.325 0.000 0.982 318 E CA 0.634 57.178 56.400 0.240 0.000 0.823 318 E CB -0.007 29.860 29.700 0.277 0.000 0.766 318 E HN 0.209 nan 8.360 nan 0.000 0.468 319 A N 1.541 124.445 122.820 0.140 0.000 1.897 319 A HA -0.186 4.133 4.320 -0.001 0.000 0.215 319 A C 1.993 179.773 177.584 0.327 0.000 1.181 319 A CA 1.698 53.709 52.037 -0.043 0.000 0.620 319 A CB -0.433 18.255 19.000 -0.520 0.000 0.821 319 A HN 0.112 nan 8.150 nan 0.000 0.443 320 D N -0.041 120.542 120.400 0.304 0.000 2.104 320 D HA -0.196 4.443 4.640 -0.001 0.000 0.194 320 D C 1.609 178.096 176.300 0.310 0.000 0.994 320 D CA 1.711 55.891 54.000 0.299 0.000 0.830 320 D CB -0.280 40.727 40.800 0.345 0.000 0.959 320 D HN 0.481 nan 8.370 nan 0.000 0.452 321 D N -1.504 119.074 120.400 0.296 0.000 2.117 321 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 321 D C 1.976 178.445 176.300 0.283 0.000 0.987 321 D CA 0.749 54.903 54.000 0.258 0.000 0.829 321 D CB -0.387 40.563 40.800 0.250 0.000 0.961 321 D HN 0.273 nan 8.370 nan 0.000 0.460 322 F N -0.780 119.318 119.950 0.246 0.000 2.134 322 F HA -0.090 4.437 4.527 -0.001 0.000 0.299 322 F C 1.750 177.498 175.800 -0.086 0.000 1.097 322 F CA 0.984 59.067 58.000 0.139 0.000 1.264 322 F CB -0.106 38.971 39.000 0.129 0.000 1.001 322 F HN -0.030 nan 8.300 nan 0.000 0.479 323 F N 0.230 120.350 119.950 0.284 0.000 2.134 323 F HA -0.237 4.289 4.527 -0.001 0.000 0.299 323 F C 2.721 178.536 175.800 0.024 0.000 1.097 323 F CA 1.824 59.890 58.000 0.109 0.000 1.264 323 F CB -0.989 38.022 39.000 0.019 0.000 1.001 323 F HN -0.029 nan 8.300 nan 0.000 0.479 324 T N -2.932 111.735 114.554 0.188 0.000 2.904 324 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 324 T C 2.089 176.766 174.700 -0.037 0.000 1.059 324 T CA 1.004 63.145 62.100 0.069 0.000 1.137 324 T CB -0.840 68.070 68.868 0.070 0.000 0.879 324 T HN 0.314 nan 8.240 nan 0.000 0.467 325 S N 1.819 117.436 115.700 -0.137 0.000 2.442 325 S HA 0.066 4.535 4.470 -0.001 0.000 0.236 325 S C 1.868 176.276 174.600 -0.319 0.000 1.007 325 S CA 0.451 58.428 58.200 -0.372 0.000 0.965 325 S CB -0.888 61.745 63.200 -0.944 0.000 0.773 325 S HN 0.573 nan 8.310 nan 0.000 0.504 326 L N 0.834 121.946 121.223 -0.185 0.000 2.599 326 L HA 0.289 4.629 4.340 -0.001 0.000 0.230 326 L C 1.837 178.664 176.870 -0.071 0.000 1.141 326 L CA 0.373 55.142 54.840 -0.118 0.000 0.877 326 L CB -0.783 41.246 42.059 -0.050 0.000 1.009 326 L HN 0.622 nan 8.230 nan 0.000 0.447 327 G N 0.532 109.296 108.800 -0.060 0.000 2.136 327 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.242 327 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.242 327 G C 0.085 174.977 174.900 -0.013 0.000 0.989 327 G CA -0.066 45.012 45.100 -0.037 0.000 0.682 327 G HN 0.236 nan 8.290 nan 0.000 0.522 328 L N -0.206 121.028 121.223 0.018 0.000 2.387 328 L HA 0.645 4.984 4.340 -0.001 0.000 0.266 328 L C 1.287 178.170 176.870 0.022 0.000 1.059 328 L CA -1.334 53.526 54.840 0.033 0.000 0.801 328 L CB 0.879 43.012 42.059 0.123 0.000 1.223 328 L HN 0.026 nan 8.230 nan 0.000 0.456 329 L N 2.976 124.179 121.223 -0.033 0.000 2.499 329 L HA 0.147 4.486 4.340 -0.001 0.000 0.273 329 L C -1.956 174.875 176.870 -0.064 0.000 1.195 329 L CA -1.404 53.402 54.840 -0.057 0.000 0.882 329 L CB -0.158 41.838 42.059 -0.104 0.000 1.133 329 L HN 0.340 nan 8.230 nan 0.000 0.483 330 P HA 0.119 nan 4.420 nan 0.000 0.276 330 P C -0.696 176.553 177.300 -0.084 0.000 1.244 330 P CA -0.476 62.618 63.100 -0.010 0.000 0.801 330 P CB 1.028 32.762 31.700 0.057 0.000 1.006 331 V N -1.435 118.380 119.914 -0.166 0.000 2.715 331 V HA 0.271 4.390 4.120 -0.001 0.000 0.299 331 V C -2.291 173.769 176.094 -0.057 0.000 1.054 331 V CA -1.858 60.253 62.300 -0.315 0.000 1.077 331 V CB -0.866 30.359 31.823 -0.997 0.000 0.972 331 V HN 0.421 nan 8.190 nan 0.000 0.484 332 P HA 0.213 nan 4.420 nan 0.000 0.269 332 P C -2.131 175.283 177.300 0.191 0.000 1.217 332 P CA -1.170 62.004 63.100 0.122 0.000 0.783 332 P CB -0.212 31.569 31.700 0.135 0.000 0.898 333 P HA -0.209 nan 4.420 nan 0.000 0.216 333 P C 1.424 178.885 177.300 0.269 0.000 1.153 333 P CA 1.404 64.703 63.100 0.332 0.000 0.858 333 P CB -0.082 31.728 31.700 0.183 0.000 0.789 334 E N -1.259 119.012 120.200 0.118 0.000 2.147 334 E HA -0.255 4.094 4.350 -0.001 0.000 0.199 334 E C 1.792 178.375 176.600 -0.029 0.000 1.005 334 E CA 0.931 57.337 56.400 0.010 0.000 0.810 334 E CB -0.640 29.021 29.700 -0.065 0.000 0.736 334 E HN 0.145 nan 8.360 nan 0.000 0.460 335 F N -0.038 119.806 119.950 -0.177 0.000 2.087 335 F HA -0.259 4.267 4.527 -0.001 0.000 0.299 335 F C 1.526 177.135 175.800 -0.317 0.000 1.100 335 F CA 2.216 60.022 58.000 -0.323 0.000 1.226 335 F CB -0.543 38.163 39.000 -0.490 0.000 0.983 335 F HN 0.116 nan 8.300 nan 0.000 0.479 336 W N 0.583 121.923 121.300 0.067 0.000 2.425 336 W HA -0.083 4.576 4.660 -0.001 0.000 0.277 336 W C 2.073 178.506 176.519 -0.144 0.000 1.231 336 W CA 1.229 58.547 57.345 -0.045 0.000 1.248 336 W CB -0.868 28.649 29.460 0.095 0.000 1.117 336 W HN 0.059 nan 8.180 nan 0.000 0.568 337 N N -0.072 118.661 118.700 0.056 0.000 2.376 337 N HA -0.044 4.695 4.740 -0.001 0.000 0.177 337 N C 1.472 176.901 175.510 -0.134 0.000 1.024 337 N CA 0.856 53.890 53.050 -0.026 0.000 0.893 337 N CB -0.106 38.363 38.487 -0.030 0.000 0.980 337 N HN 0.099 nan 8.380 nan 0.000 0.439 338 K N -0.021 120.223 120.400 -0.259 0.000 2.370 338 K HA 0.240 4.559 4.320 -0.001 0.000 0.194 338 K C 0.054 176.414 176.600 -0.400 0.000 1.070 338 K CA 0.043 56.102 56.287 -0.379 0.000 0.998 338 K CB 0.617 32.788 32.500 -0.548 0.000 0.911 338 K HN -0.026 nan 8.250 nan 0.000 0.533 339 S N 1.334 116.757 115.700 -0.461 0.000 2.585 339 S HA 0.149 4.618 4.470 -0.001 0.000 0.273 339 S C 0.034 174.578 174.600 -0.094 0.000 1.339 339 S CA -0.155 57.817 58.200 -0.380 0.000 1.028 339 S CB 0.791 63.448 63.200 -0.905 0.000 0.906 339 S HN 0.176 nan 8.310 nan 0.000 0.528 340 M N 3.774 123.424 119.600 0.083 0.000 2.385 340 M HA 0.281 4.761 4.480 -0.001 0.000 0.346 340 M C -0.357 175.911 176.300 -0.053 0.000 1.180 340 M CA -0.250 55.056 55.300 0.010 0.000 1.154 340 M CB -0.388 32.181 32.600 -0.052 0.000 1.251 340 M HN 0.636 nan 8.290 nan 0.000 0.430 341 L N 2.227 123.392 121.223 -0.095 0.000 2.554 341 L HA 0.084 4.423 4.340 -0.001 0.000 0.226 341 L C 0.409 177.339 176.870 0.100 0.000 1.137 341 L CA 0.478 55.259 54.840 -0.099 0.000 0.863 341 L CB -0.290 41.662 42.059 -0.178 0.000 0.985 341 L HN 0.608 nan 8.230 nan 0.000 0.451 342 E N -0.774 119.467 120.200 0.068 0.000 2.408 342 E HA 0.296 4.645 4.350 -0.001 0.000 0.275 342 E C -0.965 175.661 176.600 0.043 0.000 0.935 342 E CA -1.053 55.399 56.400 0.087 0.000 0.775 342 E CB 1.502 31.258 29.700 0.093 0.000 1.277 342 E HN -0.130 nan 8.360 nan 0.000 0.455 343 K N 1.955 122.382 120.400 0.044 0.000 2.412 343 K HA 0.151 4.470 4.320 -0.001 0.000 0.284 343 K C -2.085 174.520 176.600 0.009 0.000 1.046 343 K CA -1.255 55.044 56.287 0.019 0.000 0.999 343 K CB 0.024 32.539 32.500 0.026 0.000 0.941 343 K HN 0.272 nan 8.250 nan 0.000 0.474 344 P HA -0.052 nan 4.420 nan 0.000 0.265 344 P C -0.102 177.196 177.300 -0.004 0.000 1.187 344 P CA 0.069 63.160 63.100 -0.015 0.000 0.766 344 P CB 0.773 32.449 31.700 -0.039 0.000 0.820 345 T N -3.276 111.278 114.554 0.001 0.000 3.040 345 T HA 0.038 4.388 4.350 -0.001 0.000 0.266 345 T C 0.555 175.257 174.700 0.003 0.000 1.005 345 T CA -0.054 62.050 62.100 0.006 0.000 0.906 345 T CB -0.491 68.385 68.868 0.013 0.000 1.082 345 T HN 0.335 nan 8.240 nan 0.000 0.531 346 D N 1.732 122.130 120.400 -0.003 0.000 2.346 346 D HA 0.334 4.974 4.640 -0.001 0.000 0.248 346 D C 1.590 177.887 176.300 -0.006 0.000 1.173 346 D CA 0.323 54.321 54.000 -0.004 0.000 0.878 346 D CB -0.939 39.857 40.800 -0.007 0.000 0.919 346 D HN 0.483 nan 8.370 nan 0.000 0.513 347 G N 0.055 108.853 108.800 -0.004 0.000 2.148 347 G HA2 -0.363 3.596 3.960 -0.001 0.000 0.254 347 G HA3 -0.363 3.596 3.960 -0.001 0.000 0.254 347 G C 0.294 175.188 174.900 -0.011 0.000 0.981 347 G CA -0.197 44.901 45.100 -0.003 0.000 0.670 347 G HN 0.474 nan 8.290 nan 0.000 0.528 348 R N 0.207 120.694 120.500 -0.021 0.000 2.490 348 R HA 0.430 4.769 4.340 -0.001 0.000 0.280 348 R C 0.130 176.405 176.300 -0.041 0.000 1.077 348 R CA -0.333 55.745 56.100 -0.038 0.000 1.065 348 R CB 0.583 30.849 30.300 -0.056 0.000 1.003 348 R HN 0.324 nan 8.270 nan 0.000 0.470 349 E N 2.141 122.310 120.200 -0.052 0.000 2.200 349 E HA 0.234 4.583 4.350 -0.001 0.000 0.283 349 E C -0.999 175.538 176.600 -0.105 0.000 1.015 349 E CA -0.536 55.831 56.400 -0.055 0.000 0.819 349 E CB 1.102 30.777 29.700 -0.041 0.000 1.081 349 E HN 0.360 nan 8.360 nan 0.000 0.397 350 V N 1.040 120.900 119.914 -0.090 0.000 3.102 350 V HA 0.577 4.697 4.120 -0.001 0.000 0.312 350 V C -0.553 175.502 176.094 -0.065 0.000 1.135 350 V CA -1.141 61.081 62.300 -0.131 0.000 1.022 350 V CB 1.896 33.642 31.823 -0.128 0.000 1.056 350 V HN 0.338 nan 8.190 nan 0.000 0.436 351 V N 1.570 121.442 119.914 -0.070 0.000 2.387 351 V HA 0.100 4.219 4.120 -0.001 0.000 0.260 351 V C 1.146 177.289 176.094 0.081 0.000 1.054 351 V CA 0.235 62.587 62.300 0.086 0.000 0.967 351 V CB -0.034 31.887 31.823 0.163 0.000 1.036 351 V HN 1.136 nan 8.190 nan 0.000 0.481 352 c N 3.307 121.976 118.600 0.115 0.000 2.485 352 c HA 0.040 4.609 4.570 -0.001 0.000 0.277 352 c C 1.500 175.621 174.090 0.052 0.000 1.376 352 c CA 0.078 56.450 56.329 0.072 0.000 1.759 352 c CB -1.007 41.544 42.510 0.069 0.000 1.970 352 c HN 0.945 nan 8.230 nan 0.000 0.509 353 H N 0.774 119.806 119.070 -0.064 0.000 3.107 353 H HA 0.382 4.937 4.556 -0.001 0.000 0.301 353 H C 0.571 175.754 175.328 -0.241 0.000 0.981 353 H CA 0.508 56.359 56.048 -0.328 0.000 1.443 353 H CB 0.403 29.514 29.762 -1.084 0.000 1.479 353 H HN 0.477 nan 8.280 nan 0.000 0.564 354 A N 4.157 126.743 122.820 -0.390 0.000 2.448 354 A HA 0.468 4.788 4.320 -0.001 0.000 0.239 354 A C -0.189 177.404 177.584 0.016 0.000 1.080 354 A CA 0.340 52.324 52.037 -0.087 0.000 0.779 354 A CB 0.094 19.084 19.000 -0.016 0.000 1.026 354 A HN 0.897 nan 8.150 nan 0.000 0.499 355 S N -1.114 114.711 115.700 0.207 0.000 2.567 355 S HA 0.747 5.216 4.470 -0.001 0.000 0.270 355 S C -0.704 174.111 174.600 0.358 0.000 1.152 355 S CA -0.206 58.113 58.200 0.198 0.000 0.835 355 S CB 1.237 64.471 63.200 0.057 0.000 1.115 355 S HN 2.126 nan 8.310 nan 0.000 0.459 356 A N 0.522 123.478 122.820 0.226 0.000 2.342 356 A HA 0.781 5.100 4.320 -0.001 0.000 0.323 356 A C -1.742 176.083 177.584 0.403 0.000 1.125 356 A CA -0.696 51.620 52.037 0.465 0.000 0.785 356 A CB 0.500 19.752 19.000 0.420 0.000 1.221 356 A HN 0.709 nan 8.150 nan 0.000 0.463 357 W N 1.054 122.616 121.300 0.436 0.000 2.587 357 W HA 0.499 5.158 4.660 -0.001 0.000 0.324 357 W C -0.536 175.911 176.519 -0.120 0.000 1.040 357 W CA -0.174 57.250 57.345 0.131 0.000 1.222 357 W CB 1.713 31.327 29.460 0.257 0.000 1.381 357 W HN 0.622 nan 8.180 nan 0.000 0.483 358 D N 2.179 122.214 120.400 -0.608 0.000 2.303 358 D HA 0.247 4.886 4.640 -0.001 0.000 0.236 358 D C -0.304 175.495 176.300 -0.836 0.000 1.068 358 D CA -0.491 52.997 54.000 -0.854 0.000 0.830 358 D CB 0.904 40.761 40.800 -1.570 0.000 1.109 358 D HN 0.199 nan 8.370 nan 0.000 0.496 359 F N 2.429 122.100 119.950 -0.466 0.000 2.693 359 F HA 0.159 4.685 4.527 -0.001 0.000 0.303 359 F C 0.346 176.083 175.800 -0.106 0.000 1.097 359 F CA -0.342 57.513 58.000 -0.243 0.000 1.330 359 F CB -0.423 38.451 39.000 -0.210 0.000 1.067 359 F HN 0.416 nan 8.300 nan 0.000 0.565 360 Y N 0.341 120.691 120.300 0.083 0.000 3.389 360 Y HA -0.344 4.205 4.550 -0.001 0.000 0.213 360 Y C 0.872 176.786 175.900 0.024 0.000 1.272 360 Y CA 0.331 58.481 58.100 0.083 0.000 1.444 360 Y CB -2.274 36.261 38.460 0.126 0.000 1.445 360 Y HN 0.358 nan 8.280 nan 0.000 0.583 361 N N -1.491 117.244 118.700 0.058 0.000 2.129 361 N HA 0.352 5.091 4.740 -0.001 0.000 0.222 361 N C 1.274 176.780 175.510 -0.007 0.000 1.303 361 N CA 0.551 53.606 53.050 0.008 0.000 0.897 361 N CB 0.838 39.302 38.487 -0.039 0.000 1.093 361 N HN 0.564 nan 8.380 nan 0.000 0.501 362 G N 0.024 108.808 108.800 -0.028 0.000 2.157 362 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.248 362 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.248 362 G C 0.755 175.659 174.900 0.005 0.000 0.979 362 G CA 0.855 46.042 45.100 0.145 0.000 0.650 362 G HN 0.433 nan 8.290 nan 0.000 0.529 363 K N -0.612 119.560 120.400 -0.380 0.000 2.485 363 K HA 0.225 4.544 4.320 -0.001 0.000 0.200 363 K C 0.232 176.469 176.600 -0.606 0.000 1.352 363 K CA 0.384 56.486 56.287 -0.308 0.000 0.953 363 K CB 0.421 32.822 32.500 -0.164 0.000 1.387 363 K HN 0.154 nan 8.250 nan 0.000 0.512 364 D N 0.709 120.641 120.400 -0.780 0.000 2.428 364 D HA 0.214 4.853 4.640 -0.001 0.000 0.221 364 D C -1.301 174.547 176.300 -0.753 0.000 1.123 364 D CA -0.284 53.325 54.000 -0.652 0.000 0.869 364 D CB 0.065 40.546 40.800 -0.533 0.000 1.032 364 D HN -0.103 nan 8.370 nan 0.000 0.506 365 F N 2.615 122.598 119.950 0.054 0.000 2.529 365 F HA 0.553 5.079 4.527 -0.001 0.000 0.320 365 F C 0.629 176.562 175.800 0.223 0.000 1.118 365 F CA -1.058 57.072 58.000 0.216 0.000 0.915 365 F CB 1.746 40.911 39.000 0.275 0.000 1.161 365 F HN -0.100 nan 8.300 nan 0.000 0.445 366 R N 2.493 123.254 120.500 0.435 0.000 2.771 366 R HA 0.752 5.091 4.340 -0.001 0.000 0.274 366 R C -1.484 175.067 176.300 0.418 0.000 0.987 366 R CA -1.049 55.127 56.100 0.128 0.000 0.908 366 R CB 2.949 33.017 30.300 -0.386 0.000 1.213 366 R HN 0.598 nan 8.270 nan 0.000 0.468 367 I N 1.203 121.883 120.570 0.183 0.000 2.460 367 I HA 0.337 4.506 4.170 -0.001 0.000 0.298 367 I C -0.301 175.990 176.117 0.291 0.000 0.989 367 I CA -0.638 60.861 61.300 0.333 0.000 1.173 367 I CB 1.803 39.941 38.000 0.229 0.000 1.338 367 I HN 0.329 nan 8.210 nan 0.000 0.456 368 K N 6.408 127.047 120.400 0.398 0.000 2.507 368 K HA 0.446 4.765 4.320 -0.001 0.000 0.253 368 K C -1.333 175.367 176.600 0.167 0.000 0.969 368 K CA -0.475 55.928 56.287 0.194 0.000 0.908 368 K CB 1.309 33.850 32.500 0.068 0.000 1.127 368 K HN 0.633 nan 8.250 nan 0.000 0.437 369 Q N 3.452 123.322 119.800 0.116 0.000 2.315 369 Q HA 0.303 4.643 4.340 -0.001 0.000 0.273 369 Q C -1.362 174.705 176.000 0.112 0.000 1.053 369 Q CA -0.765 55.130 55.803 0.153 0.000 0.817 369 Q CB 1.925 30.856 28.738 0.321 0.000 1.326 369 Q HN 0.752 nan 8.270 nan 0.000 0.423 370 c N 3.645 122.292 118.600 0.080 0.000 2.861 370 c HA 0.250 4.819 4.570 -0.001 0.000 0.542 370 c C 0.161 174.307 174.090 0.094 0.000 1.074 370 c CA -0.300 56.069 56.329 0.068 0.000 1.232 370 c CB -1.747 40.787 42.510 0.041 0.000 1.433 370 c HN 0.598 nan 8.230 nan 0.000 0.606 371 T N 2.315 116.956 114.554 0.145 0.000 2.888 371 T HA 0.179 4.529 4.350 -0.001 0.000 0.301 371 T C 0.533 175.310 174.700 0.128 0.000 1.001 371 T CA 0.503 62.706 62.100 0.171 0.000 1.147 371 T CB 0.548 69.590 68.868 0.291 0.000 0.931 371 T HN 0.516 nan 8.240 nan 0.000 0.541 372 T N 2.525 117.139 114.554 0.101 0.000 2.859 372 T HA 0.354 4.703 4.350 -0.001 0.000 0.281 372 T C 0.357 175.110 174.700 0.088 0.000 1.005 372 T CA -0.700 61.450 62.100 0.084 0.000 1.025 372 T CB 1.229 70.132 68.868 0.058 0.000 0.977 372 T HN 0.365 nan 8.240 nan 0.000 0.458 373 V N 5.323 125.292 119.914 0.091 0.000 2.287 373 V HA 0.276 4.395 4.120 -0.001 0.000 0.246 373 V C 0.084 176.201 176.094 0.040 0.000 1.165 373 V CA -0.511 61.846 62.300 0.096 0.000 1.088 373 V CB -1.694 30.207 31.823 0.130 0.000 1.242 373 V HN 0.956 nan 8.190 nan 0.000 0.497 374 N N 2.859 121.570 118.700 0.017 0.000 3.039 374 N HA 0.339 5.078 4.740 -0.001 0.000 0.257 374 N C 0.220 175.703 175.510 -0.045 0.000 1.497 374 N CA -0.998 52.039 53.050 -0.022 0.000 0.861 374 N CB 1.338 39.824 38.487 -0.002 0.000 1.479 374 N HN 0.102 nan 8.380 nan 0.000 0.547 375 L N -0.411 120.774 121.223 -0.062 0.000 2.156 375 L HA 0.039 4.378 4.340 -0.001 0.000 0.208 375 L C 1.884 178.734 176.870 -0.032 0.000 1.095 375 L CA 1.544 56.344 54.840 -0.067 0.000 0.770 375 L CB -0.171 41.845 42.059 -0.072 0.000 0.914 375 L HN 0.775 nan 8.230 nan 0.000 0.439 376 E N -0.074 120.116 120.200 -0.016 0.000 2.051 376 E HA -0.265 4.084 4.350 -0.001 0.000 0.192 376 E C 1.295 177.896 176.600 0.001 0.000 0.991 376 E CA 1.664 58.061 56.400 -0.004 0.000 0.799 376 E CB 0.187 29.894 29.700 0.012 0.000 0.748 376 E HN 0.439 nan 8.360 nan 0.000 0.449 377 D N -0.182 120.225 120.400 0.012 0.000 2.347 377 D HA -0.063 4.576 4.640 -0.001 0.000 0.213 377 D C 1.614 177.917 176.300 0.004 0.000 0.985 377 D CA 0.100 54.111 54.000 0.019 0.000 0.879 377 D CB 0.150 40.975 40.800 0.042 0.000 0.919 377 D HN 0.121 nan 8.370 nan 0.000 0.526 378 L N -0.013 121.223 121.223 0.021 0.000 2.072 378 L HA -0.075 4.264 4.340 -0.001 0.000 0.205 378 L C 1.982 178.946 176.870 0.158 0.000 1.079 378 L CA 1.219 56.103 54.840 0.074 0.000 0.752 378 L CB -0.327 41.779 42.059 0.079 0.000 0.906 378 L HN -0.136 nan 8.230 nan 0.000 0.436 379 V N -0.996 118.949 119.914 0.052 0.000 2.343 379 V HA -0.278 3.841 4.120 -0.001 0.000 0.247 379 V C 2.502 178.638 176.094 0.069 0.000 1.051 379 V CA 1.712 64.017 62.300 0.009 0.000 1.036 379 V CB -0.503 31.279 31.823 -0.067 0.000 0.654 379 V HN 0.347 nan 8.190 nan 0.000 0.451 380 V N 0.264 120.203 119.914 0.043 0.000 2.343 380 V HA -0.258 3.861 4.120 -0.001 0.000 0.247 380 V C 2.730 178.899 176.094 0.125 0.000 1.051 380 V CA 1.936 64.275 62.300 0.065 0.000 1.036 380 V CB -1.192 30.644 31.823 0.021 0.000 0.654 380 V HN 0.563 nan 8.190 nan 0.000 0.451 381 A N -0.549 122.264 122.820 -0.012 0.000 1.917 381 A HA -0.317 4.002 4.320 -0.001 0.000 0.219 381 A C 1.991 179.548 177.584 -0.046 0.000 1.182 381 A CA 2.530 54.421 52.037 -0.243 0.000 0.633 381 A CB -0.857 17.611 19.000 -0.886 0.000 0.819 381 A HN 0.707 nan 8.150 nan 0.000 0.448 382 H N -2.329 116.750 119.070 0.015 0.000 2.357 382 H HA -0.105 4.451 4.556 -0.001 0.000 0.301 382 H C 2.015 177.418 175.328 0.126 0.000 1.082 382 H CA 1.791 57.888 56.048 0.082 0.000 1.342 382 H CB -0.342 29.384 29.762 -0.059 0.000 1.389 382 H HN 0.813 nan 8.280 nan 0.000 0.511 383 H N 0.763 119.906 119.070 0.122 0.000 2.319 383 H HA -0.120 4.436 4.556 -0.001 0.000 0.299 383 H C 1.824 177.179 175.328 0.045 0.000 1.092 383 H CA 1.785 57.858 56.048 0.042 0.000 1.302 383 H CB 0.266 30.060 29.762 0.054 0.000 1.373 383 H HN 0.246 nan 8.280 nan 0.000 0.497 384 E N -0.066 120.291 120.200 0.261 0.000 2.106 384 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 384 E C 2.129 178.840 176.600 0.185 0.000 0.984 384 E CA 0.795 57.392 56.400 0.328 0.000 0.806 384 E CB -0.114 29.865 29.700 0.466 0.000 0.750 384 E HN 0.595 nan 8.360 nan 0.000 0.458 385 M N -0.259 119.413 119.600 0.120 0.000 2.394 385 M HA 0.016 4.496 4.480 -0.001 0.000 0.264 385 M C 2.124 178.163 176.300 -0.435 0.000 1.073 385 M CA 0.918 56.153 55.300 -0.109 0.000 1.111 385 M CB -0.801 31.805 32.600 0.010 0.000 1.401 385 M HN 0.073 nan 8.290 nan 0.000 0.448 386 G N -0.956 107.753 108.800 -0.151 0.000 2.430 386 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 386 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 386 G C 1.377 176.094 174.900 -0.303 0.000 1.146 386 G CA 0.296 45.298 45.100 -0.163 0.000 0.793 386 G HN 0.394 nan 8.290 nan 0.000 0.537 387 H N 0.574 119.501 119.070 -0.238 0.000 2.321 387 H HA 0.007 4.562 4.556 -0.001 0.000 0.300 387 H C 2.722 177.533 175.328 -0.861 0.000 1.087 387 H CA 0.840 56.676 56.048 -0.353 0.000 1.319 387 H CB -0.101 29.500 29.762 -0.269 0.000 1.379 387 H HN 0.170 nan 8.280 nan 0.000 0.501 388 I N 0.965 121.276 120.570 -0.433 0.000 2.226 388 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 388 I C 2.547 178.310 176.117 -0.590 0.000 1.100 388 I CA 1.177 62.236 61.300 -0.402 0.000 1.374 388 I CB -0.906 36.968 38.000 -0.210 0.000 1.057 388 I HN 0.220 nan 8.210 nan 0.000 0.413 389 Q N 0.279 119.677 119.800 -0.670 0.000 2.124 389 Q HA -0.231 4.108 4.340 -0.001 0.000 0.202 389 Q C 2.231 177.901 176.000 -0.550 0.000 0.977 389 Q CA 1.721 57.123 55.803 -0.669 0.000 0.850 389 Q CB -0.564 27.664 28.738 -0.851 0.000 0.901 389 Q HN 0.557 nan 8.270 nan 0.000 0.429 390 Y N -0.958 118.935 120.300 -0.679 0.000 2.200 390 Y HA -0.184 4.365 4.550 -0.001 0.000 0.290 390 Y C 1.622 176.900 175.900 -1.036 0.000 1.137 390 Y CA 1.172 58.809 58.100 -0.772 0.000 1.163 390 Y CB -0.047 37.838 38.460 -0.960 0.000 0.988 390 Y HN 0.163 nan 8.280 nan 0.000 0.518 391 F N -0.650 118.967 119.950 -0.554 0.000 2.120 391 F HA -0.379 4.147 4.527 -0.001 0.000 0.300 391 F C 2.318 177.754 175.800 -0.607 0.000 1.095 391 F CA 1.035 58.679 58.000 -0.593 0.000 1.249 391 F CB -0.386 38.398 39.000 -0.360 0.000 0.995 391 F HN 0.084 nan 8.300 nan 0.000 0.480 392 M N -0.717 118.551 119.600 -0.553 0.000 2.349 392 M HA -0.138 4.341 4.480 -0.001 0.000 0.266 392 M C 2.113 178.302 176.300 -0.185 0.000 1.076 392 M CA 1.037 56.082 55.300 -0.424 0.000 1.126 392 M CB -0.354 31.944 32.600 -0.502 0.000 1.392 392 M HN 0.122 nan 8.290 nan 0.000 0.440 393 Q N 0.107 119.758 119.800 -0.250 0.000 2.123 393 Q HA -0.119 4.220 4.340 -0.001 0.000 0.199 393 Q C 1.335 177.366 176.000 0.051 0.000 0.966 393 Q CA 1.354 57.080 55.803 -0.129 0.000 0.845 393 Q CB -0.175 28.434 28.738 -0.216 0.000 0.907 393 Q HN 0.765 nan 8.270 nan 0.000 0.439 394 Y N -0.196 120.191 120.300 0.144 0.000 2.555 394 Y HA 0.320 4.869 4.550 -0.001 0.000 0.259 394 Y C 1.368 177.384 175.900 0.194 0.000 1.179 394 Y CA -0.727 57.483 58.100 0.183 0.000 1.230 394 Y CB -0.685 37.926 38.460 0.252 0.000 1.146 394 Y HN -0.006 nan 8.280 nan 0.000 0.526 395 K N -0.048 120.600 120.400 0.414 0.000 2.360 395 K HA -0.139 4.181 4.320 -0.001 0.000 0.201 395 K C -0.019 176.752 176.600 0.286 0.000 1.046 395 K CA 1.838 58.364 56.287 0.398 0.000 0.940 395 K CB -0.180 32.532 32.500 0.353 0.000 0.748 395 K HN 0.244 nan 8.250 nan 0.000 0.465 396 D N 0.891 121.426 120.400 0.226 0.000 2.368 396 D HA 0.141 4.780 4.640 -0.001 0.000 0.218 396 D C 0.220 176.600 176.300 0.133 0.000 1.112 396 D CA 0.034 54.125 54.000 0.152 0.000 0.834 396 D CB 0.318 41.187 40.800 0.115 0.000 0.953 396 D HN 0.208 nan 8.370 nan 0.000 0.505 397 L N 1.207 122.530 121.223 0.166 0.000 2.399 397 L HA 0.305 4.644 4.340 -0.001 0.000 0.265 397 L C -2.072 174.849 176.870 0.084 0.000 1.089 397 L CA -1.856 53.054 54.840 0.116 0.000 0.802 397 L CB 0.653 42.782 42.059 0.117 0.000 1.180 397 L HN -0.342 nan 8.230 nan 0.000 0.454 398 P HA -0.081 nan 4.420 nan 0.000 0.265 398 P C 0.853 178.170 177.300 0.029 0.000 1.187 398 P CA -0.117 62.998 63.100 0.025 0.000 0.766 398 P CB 0.423 32.145 31.700 0.036 0.000 0.820 399 V N 1.312 121.203 119.914 -0.038 0.000 2.469 399 V HA -0.264 3.855 4.120 -0.001 0.000 0.251 399 V C 2.064 178.218 176.094 0.099 0.000 1.064 399 V CA 2.002 64.279 62.300 -0.037 0.000 1.066 399 V CB -2.194 29.373 31.823 -0.427 0.000 0.667 399 V HN 0.550 nan 8.190 nan 0.000 0.461 400 A N 0.455 123.358 122.820 0.138 0.000 2.070 400 A HA 0.054 4.373 4.320 -0.001 0.000 0.220 400 A C 2.124 179.797 177.584 0.148 0.000 1.159 400 A CA 1.943 54.102 52.037 0.204 0.000 0.656 400 A CB -0.543 18.570 19.000 0.188 0.000 0.800 400 A HN 0.622 nan 8.150 nan 0.000 0.453 401 L N -1.600 119.694 121.223 0.118 0.000 2.693 401 L HA 0.171 4.511 4.340 -0.001 0.000 0.235 401 L C 0.802 177.639 176.870 -0.056 0.000 1.127 401 L CA -0.212 54.713 54.840 0.141 0.000 0.914 401 L CB 0.076 42.206 42.059 0.119 0.000 1.193 401 L HN 0.149 nan 8.230 nan 0.000 0.502 402 R N 1.947 122.350 120.500 -0.161 0.000 3.688 402 R HA 0.195 4.534 4.340 -0.001 0.000 0.194 402 R C -0.466 175.422 176.300 -0.686 0.000 1.677 402 R CA 0.285 56.012 56.100 -0.621 0.000 1.351 402 R CB -0.087 30.177 30.300 -0.059 0.000 1.338 402 R HN 0.348 nan 8.270 nan 0.000 0.731 403 E N -0.864 118.940 120.200 -0.660 0.000 2.449 403 E HA 0.317 4.667 4.350 -0.001 0.000 0.278 403 E C -0.380 176.230 176.600 0.016 0.000 0.992 403 E CA -0.991 55.317 56.400 -0.153 0.000 0.807 403 E CB 1.625 31.185 29.700 -0.233 0.000 1.350 403 E HN 0.399 nan 8.360 nan 0.000 0.462 404 G N -0.037 108.826 108.800 0.105 0.000 2.594 404 G HA2 0.272 4.232 3.960 -0.001 0.000 0.243 404 G HA3 0.272 4.232 3.960 -0.001 0.000 0.243 404 G C 0.887 175.848 174.900 0.101 0.000 1.229 404 G CA 0.339 45.349 45.100 -0.151 0.000 0.843 404 G HN 0.545 nan 8.290 nan 0.000 0.578 405 A N 1.600 124.457 122.820 0.063 0.000 1.884 405 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 405 A C 1.334 178.916 177.584 -0.004 0.000 1.197 405 A CA 2.258 54.221 52.037 -0.123 0.000 0.637 405 A CB -0.704 17.803 19.000 -0.821 0.000 0.827 405 A HN 1.084 nan 8.150 nan 0.000 0.450 406 N N -3.942 114.701 118.700 -0.096 0.000 2.571 406 N HA 0.501 5.240 4.740 -0.001 0.000 0.273 406 N C -2.785 172.678 175.510 -0.078 0.000 1.340 406 N CA -1.888 51.087 53.050 -0.125 0.000 0.789 406 N CB 0.740 39.039 38.487 -0.314 0.000 1.514 406 N HN -0.235 nan 8.380 nan 0.000 0.499 407 P HA -0.029 nan 4.420 nan 0.000 0.217 407 P C 1.287 178.632 177.300 0.075 0.000 1.148 407 P CA 1.874 64.900 63.100 -0.122 0.000 0.828 407 P CB -0.106 31.451 31.700 -0.237 0.000 0.783 408 G N -1.421 107.489 108.800 0.182 0.000 2.422 408 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.218 408 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.218 408 G C 1.225 176.289 174.900 0.274 0.000 1.146 408 G CA 0.307 45.546 45.100 0.232 0.000 0.769 408 G HN 0.140 nan 8.290 nan 0.000 0.547 409 F N 0.381 120.429 119.950 0.163 0.000 2.126 409 F HA -0.041 4.486 4.527 -0.001 0.000 0.299 409 F C 2.581 178.597 175.800 0.360 0.000 1.096 409 F CA 1.310 59.507 58.000 0.329 0.000 1.255 409 F CB -0.403 38.822 39.000 0.374 0.000 0.997 409 F HN 0.179 nan 8.300 nan 0.000 0.479 410 H N 0.381 119.640 119.070 0.315 0.000 2.389 410 H HA -0.079 4.476 4.556 -0.001 0.000 0.299 410 H C 1.986 177.338 175.328 0.041 0.000 1.081 410 H CA 1.574 57.714 56.048 0.153 0.000 1.345 410 H CB 0.130 29.892 29.762 -0.000 0.000 1.393 410 H HN 0.229 nan 8.280 nan 0.000 0.520 411 E N 0.156 120.481 120.200 0.208 0.000 2.208 411 E HA -0.027 4.322 4.350 -0.001 0.000 0.193 411 E C 2.260 178.877 176.600 0.030 0.000 0.988 411 E CA 0.684 57.134 56.400 0.083 0.000 0.828 411 E CB -0.184 29.649 29.700 0.221 0.000 0.763 411 E HN 0.423 nan 8.360 nan 0.000 0.478 412 A N 1.458 124.319 122.820 0.070 0.000 2.014 412 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 412 A C 2.139 179.722 177.584 -0.001 0.000 1.163 412 A CA 0.638 52.676 52.037 0.002 0.000 0.652 412 A CB -0.270 18.681 19.000 -0.081 0.000 0.808 412 A HN 0.078 nan 8.150 nan 0.000 0.449 413 I N -0.007 120.573 120.570 0.016 0.000 2.202 413 I HA -0.162 4.007 4.170 -0.001 0.000 0.242 413 I C 2.640 178.745 176.117 -0.020 0.000 1.091 413 I CA 1.671 62.973 61.300 0.003 0.000 1.368 413 I CB -1.936 36.041 38.000 -0.037 0.000 1.058 413 I HN 0.337 nan 8.210 nan 0.000 0.410 414 G N 0.482 109.260 108.800 -0.035 0.000 2.421 414 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 414 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 414 G C 1.202 176.055 174.900 -0.078 0.000 1.143 414 G CA 0.484 45.605 45.100 0.037 0.000 0.784 414 G HN 0.296 nan 8.290 nan 0.000 0.541 415 D N 0.276 120.619 120.400 -0.095 0.000 2.178 415 D HA -0.076 4.563 4.640 -0.001 0.000 0.201 415 D C 2.676 178.748 176.300 -0.380 0.000 0.980 415 D CA 0.392 54.258 54.000 -0.224 0.000 0.842 415 D CB -0.182 40.467 40.800 -0.251 0.000 0.948 415 D HN 0.205 nan 8.370 nan 0.000 0.472 416 V N 0.443 120.172 119.914 -0.308 0.000 2.261 416 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 416 V C 2.358 178.223 176.094 -0.381 0.000 1.047 416 V CA 1.218 63.335 62.300 -0.306 0.000 1.015 416 V CB -0.434 31.319 31.823 -0.117 0.000 0.642 416 V HN 0.138 nan 8.190 nan 0.000 0.446 417 L N 0.550 121.478 121.223 -0.491 0.000 2.012 417 L HA -0.134 4.206 4.340 -0.001 0.000 0.210 417 L C 2.635 178.927 176.870 -0.963 0.000 1.073 417 L CA 2.288 56.595 54.840 -0.888 0.000 0.748 417 L CB -1.241 40.133 42.059 -1.143 0.000 0.891 417 L HN 0.295 nan 8.230 nan 0.000 0.431 418 A N -0.784 121.599 122.820 -0.729 0.000 2.032 418 A HA -0.194 4.125 4.320 -0.001 0.000 0.221 418 A C 2.326 179.615 177.584 -0.492 0.000 1.165 418 A CA 1.629 53.268 52.037 -0.663 0.000 0.645 418 A CB -0.829 17.913 19.000 -0.429 0.000 0.807 418 A HN 0.415 nan 8.150 nan 0.000 0.453 419 L N -0.854 120.071 121.223 -0.498 0.000 2.046 419 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 419 L C 2.790 179.511 176.870 -0.248 0.000 1.077 419 L CA 1.510 56.075 54.840 -0.460 0.000 0.747 419 L CB -0.340 41.221 42.059 -0.831 0.000 0.896 419 L HN 0.321 nan 8.230 nan 0.000 0.432 420 S N -0.888 114.667 115.700 -0.242 0.000 2.406 420 S HA -0.096 4.373 4.470 -0.001 0.000 0.228 420 S C 2.016 176.525 174.600 -0.151 0.000 1.020 420 S CA 0.714 58.876 58.200 -0.062 0.000 0.965 420 S CB 0.018 63.278 63.200 0.100 0.000 0.798 420 S HN 0.132 nan 8.310 nan 0.000 0.488 421 V N 1.910 121.604 119.914 -0.366 0.000 2.295 421 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 421 V C 2.192 178.260 176.094 -0.044 0.000 1.049 421 V CA 1.916 64.029 62.300 -0.311 0.000 1.024 421 V CB -0.815 30.708 31.823 -0.500 0.000 0.648 421 V HN 0.436 nan 8.190 nan 0.000 0.447 422 S N -0.223 115.440 115.700 -0.062 0.000 2.507 422 S HA -0.062 4.408 4.470 -0.001 0.000 0.235 422 S C 1.074 175.776 174.600 0.169 0.000 0.988 422 S CA 0.781 59.023 58.200 0.070 0.000 0.944 422 S CB -0.620 62.630 63.200 0.084 0.000 0.762 422 S HN 0.851 nan 8.310 nan 0.000 0.526 423 T N 1.152 115.735 114.554 0.047 0.000 2.940 423 T HA 0.114 4.463 4.350 -0.001 0.000 0.309 423 T C -1.970 172.575 174.700 -0.259 0.000 1.056 423 T CA -1.238 60.692 62.100 -0.284 0.000 1.137 423 T CB 0.413 69.170 68.868 -0.185 0.000 0.976 423 T HN -0.061 nan 8.240 nan 0.000 0.547 424 P HA -0.060 nan 4.420 nan 0.000 0.216 424 P C 1.581 178.814 177.300 -0.112 0.000 1.150 424 P CA 1.003 63.965 63.100 -0.229 0.000 0.837 424 P CB 0.114 31.647 31.700 -0.277 0.000 0.786 425 K N -1.292 119.035 120.400 -0.122 0.000 2.009 425 K HA -0.237 4.082 4.320 -0.001 0.000 0.210 425 K C 2.269 178.878 176.600 0.014 0.000 1.049 425 K CA 1.715 57.981 56.287 -0.034 0.000 0.929 425 K CB -0.556 31.920 32.500 -0.040 0.000 0.714 425 K HN 0.182 nan 8.250 nan 0.000 0.440 426 H N 0.161 119.193 119.070 -0.065 0.000 2.389 426 H HA 0.020 4.576 4.556 -0.001 0.000 0.299 426 H C 1.884 177.181 175.328 -0.051 0.000 1.081 426 H CA 1.403 57.413 56.048 -0.063 0.000 1.345 426 H CB 0.054 29.806 29.762 -0.017 0.000 1.393 426 H HN 0.083 nan 8.280 nan 0.000 0.520 427 L N -0.284 120.966 121.223 0.046 0.000 2.042 427 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 427 L C 2.595 179.438 176.870 -0.045 0.000 1.076 427 L CA 1.716 56.551 54.840 -0.009 0.000 0.749 427 L CB -0.664 41.391 42.059 -0.007 0.000 0.893 427 L HN 0.560 nan 8.230 nan 0.000 0.432 428 H N -0.225 118.779 119.070 -0.110 0.000 2.421 428 H HA -0.161 4.394 4.556 -0.001 0.000 0.298 428 H C 2.330 177.585 175.328 -0.121 0.000 1.087 428 H CA 1.641 57.625 56.048 -0.107 0.000 1.330 428 H CB 0.341 30.040 29.762 -0.105 0.000 1.388 428 H HN 0.413 nan 8.280 nan 0.000 0.526 429 S N 0.258 115.759 115.700 -0.332 0.000 2.481 429 S HA -0.027 4.442 4.470 -0.001 0.000 0.231 429 S C 1.957 176.361 174.600 -0.327 0.000 0.996 429 S CA 0.444 58.400 58.200 -0.406 0.000 0.942 429 S CB -0.411 62.535 63.200 -0.424 0.000 0.768 429 S HN 0.419 nan 8.310 nan 0.000 0.520 430 L N 1.052 122.132 121.223 -0.237 0.000 2.611 430 L HA 0.300 4.639 4.340 -0.001 0.000 0.229 430 L C 0.892 177.791 176.870 0.048 0.000 1.137 430 L CA 0.001 54.831 54.840 -0.016 0.000 0.901 430 L CB -0.757 41.371 42.059 0.114 0.000 1.098 430 L HN 0.283 nan 8.230 nan 0.000 0.456 431 N N -0.017 118.626 118.700 -0.095 0.000 2.741 431 N HA -0.215 4.524 4.740 -0.001 0.000 0.250 431 N C 0.449 175.942 175.510 -0.029 0.000 1.115 431 N CA 0.718 53.729 53.050 -0.065 0.000 0.724 431 N CB -1.198 37.289 38.487 -0.000 0.000 1.090 431 N HN 0.330 nan 8.380 nan 0.000 0.558 432 L N -1.343 119.840 121.223 -0.067 0.000 2.585 432 L HA 0.305 4.644 4.340 -0.001 0.000 0.226 432 L C 0.877 177.718 176.870 -0.048 0.000 1.113 432 L CA 0.389 55.162 54.840 -0.110 0.000 0.876 432 L CB 0.093 42.017 42.059 -0.226 0.000 1.072 432 L HN 0.108 nan 8.230 nan 0.000 0.468 433 L N -1.930 119.304 121.223 0.019 0.000 2.301 433 L HA 0.329 4.668 4.340 -0.001 0.000 0.249 433 L C 0.650 177.629 176.870 0.181 0.000 1.069 433 L CA -0.213 54.662 54.840 0.059 0.000 0.865 433 L CB 2.190 44.268 42.059 0.032 0.000 1.467 433 L HN -0.134 nan 8.230 nan 0.000 0.419 434 S N -2.391 113.345 115.700 0.061 0.000 2.520 434 S HA 0.317 4.787 4.470 -0.001 0.000 0.219 434 S C 0.339 174.725 174.600 -0.357 0.000 1.028 434 S CA -0.322 57.879 58.200 0.001 0.000 0.921 434 S CB 0.594 63.787 63.200 -0.012 0.000 0.844 434 S HN 0.474 nan 8.310 nan 0.000 0.495 438 G N 0.590 109.331 108.800 -0.099 0.000 2.938 438 G HA2 0.221 4.181 3.960 -0.001 0.000 0.234 438 G HA3 0.221 4.181 3.960 -0.001 0.000 0.234 438 G C 1.069 175.986 174.900 0.029 0.000 1.707 438 G CA 0.667 45.742 45.100 -0.041 0.000 1.299 438 G HN 2.466 nan 8.290 nan 0.000 0.515 439 S N 1.500 117.256 115.700 0.092 0.000 2.566 439 S HA 0.307 4.776 4.470 -0.001 0.000 0.280 439 S C 0.836 175.447 174.600 0.019 0.000 1.343 439 S CA 1.026 59.260 58.200 0.056 0.000 1.036 439 S CB 0.991 64.220 63.200 0.048 0.000 0.866 439 S HN 0.461 nan 8.310 nan 0.000 0.526 440 D N 1.166 121.535 120.400 -0.051 0.000 2.309 440 D HA -0.063 4.576 4.640 -0.001 0.000 0.212 440 D C 1.617 177.800 176.300 -0.195 0.000 0.968 440 D CA 1.138 55.096 54.000 -0.069 0.000 0.882 440 D CB -0.094 40.672 40.800 -0.057 0.000 0.918 440 D HN 0.778 nan 8.370 nan 0.000 0.503 441 E N -0.461 119.516 120.200 -0.373 0.000 2.122 441 E HA -0.087 4.262 4.350 -0.001 0.000 0.190 441 E C 1.694 178.146 176.600 -0.247 0.000 0.977 441 E CA 0.429 56.429 56.400 -0.667 0.000 0.820 441 E CB -0.061 29.053 29.700 -0.978 0.000 0.770 441 E HN 0.464 nan 8.360 nan 0.000 0.462 442 H N 0.421 119.450 119.070 -0.069 0.000 2.423 442 H HA -0.087 4.468 4.556 -0.001 0.000 0.297 442 H C 1.678 177.058 175.328 0.088 0.000 1.075 442 H CA 1.258 57.324 56.048 0.030 0.000 1.342 442 H CB 0.149 29.912 29.762 0.002 0.000 1.395 442 H HN 0.042 nan 8.280 nan 0.000 0.530 443 D N 0.124 120.626 120.400 0.169 0.000 2.084 443 D HA -0.128 4.511 4.640 -0.001 0.000 0.194 443 D C 1.995 178.352 176.300 0.095 0.000 0.990 443 D CA 0.787 54.892 54.000 0.176 0.000 0.826 443 D CB -0.030 40.851 40.800 0.134 0.000 0.971 443 D HN 0.195 nan 8.370 nan 0.000 0.453 444 I N 1.061 121.630 120.570 -0.002 0.000 2.315 444 I HA -0.191 3.978 4.170 -0.001 0.000 0.248 444 I C 1.863 177.935 176.117 -0.075 0.000 1.117 444 I CA 0.879 62.101 61.300 -0.130 0.000 1.404 444 I CB -1.124 36.706 38.000 -0.283 0.000 1.071 444 I HN 0.070 nan 8.210 nan 0.000 0.419 445 N N 1.030 119.780 118.700 0.083 0.000 2.084 445 N HA -0.228 4.511 4.740 -0.001 0.000 0.190 445 N C 1.859 177.531 175.510 0.270 0.000 1.030 445 N CA 1.261 54.446 53.050 0.225 0.000 0.849 445 N CB -0.760 37.905 38.487 0.297 0.000 1.012 445 N HN 0.317 nan 8.380 nan 0.000 0.423 446 F N 1.792 121.801 119.950 0.099 0.000 2.102 446 F HA -0.033 4.493 4.527 -0.001 0.000 0.298 446 F C 2.116 177.970 175.800 0.090 0.000 1.105 446 F CA 1.040 59.079 58.000 0.065 0.000 1.239 446 F CB -0.533 38.509 39.000 0.070 0.000 0.991 446 F HN -0.059 nan 8.300 nan 0.000 0.474 447 L N -0.409 120.700 121.223 -0.190 0.000 2.042 447 L HA -0.250 4.090 4.340 -0.001 0.000 0.210 447 L C 2.534 179.407 176.870 0.005 0.000 1.076 447 L CA 1.679 56.400 54.840 -0.198 0.000 0.749 447 L CB -0.631 41.337 42.059 -0.152 0.000 0.893 447 L HN 0.346 nan 8.230 nan 0.000 0.432 448 M N 0.453 120.057 119.600 0.005 0.000 2.086 448 M HA -0.231 4.248 4.480 -0.001 0.000 0.261 448 M C 2.170 178.561 176.300 0.151 0.000 1.067 448 M CA 1.900 57.243 55.300 0.070 0.000 1.116 448 M CB -0.301 32.337 32.600 0.063 0.000 1.348 448 M HN -0.086 nan 8.290 nan 0.000 0.407 449 K N -0.164 120.322 120.400 0.143 0.000 2.044 449 K HA -0.166 4.154 4.320 -0.001 0.000 0.210 449 K C 1.773 178.370 176.600 -0.005 0.000 1.049 449 K CA 2.063 58.355 56.287 0.008 0.000 0.927 449 K CB -0.265 32.060 32.500 -0.291 0.000 0.713 449 K HN 0.328 nan 8.250 nan 0.000 0.443 450 M N 0.130 119.685 119.600 -0.074 0.000 2.117 450 M HA -0.062 4.417 4.480 -0.001 0.000 0.262 450 M C 2.332 178.750 176.300 0.198 0.000 1.065 450 M CA 1.921 57.257 55.300 0.060 0.000 1.114 450 M CB -1.336 31.300 32.600 0.059 0.000 1.361 450 M HN 0.345 nan 8.290 nan 0.000 0.408 451 A N -0.116 122.754 122.820 0.083 0.000 1.969 451 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 451 A C 2.291 179.798 177.584 -0.128 0.000 1.169 451 A CA 0.999 52.844 52.037 -0.319 0.000 0.635 451 A CB -0.824 17.892 19.000 -0.474 0.000 0.810 451 A HN 0.473 nan 8.150 nan 0.000 0.445 452 L N -0.986 120.255 121.223 0.031 0.000 2.201 452 L HA -0.163 4.176 4.340 -0.001 0.000 0.212 452 L C 2.081 178.988 176.870 0.061 0.000 1.105 452 L CA 1.499 56.407 54.840 0.114 0.000 0.775 452 L CB -0.349 41.879 42.059 0.281 0.000 0.913 452 L HN 0.353 nan 8.230 nan 0.000 0.440 453 D N -0.744 119.703 120.400 0.077 0.000 2.202 453 D HA -0.094 4.546 4.640 -0.001 0.000 0.214 453 D C 2.207 178.619 176.300 0.186 0.000 0.967 453 D CA 0.813 54.877 54.000 0.106 0.000 0.871 453 D CB 0.358 41.211 40.800 0.087 0.000 1.020 453 D HN -0.051 nan 8.370 nan 0.000 0.474 454 K N 0.194 120.717 120.400 0.204 0.000 2.099 454 K HA 0.075 4.395 4.320 -0.001 0.000 0.203 454 K C 2.013 178.781 176.600 0.280 0.000 1.047 454 K CA 0.299 56.823 56.287 0.396 0.000 0.963 454 K CB -0.075 32.684 32.500 0.431 0.000 0.759 454 K HN 0.185 nan 8.250 nan 0.000 0.451 455 I N 1.681 122.222 120.570 -0.049 0.000 2.193 455 I HA -0.117 4.052 4.170 -0.001 0.000 0.240 455 I C 2.424 178.518 176.117 -0.038 0.000 1.084 455 I CA 1.072 62.306 61.300 -0.110 0.000 1.365 455 I CB -1.557 36.255 38.000 -0.313 0.000 1.064 455 I HN -0.009 nan 8.210 nan 0.000 0.410 456 A N 0.345 123.039 122.820 -0.210 0.000 1.997 456 A HA -0.288 4.031 4.320 -0.001 0.000 0.221 456 A C 2.283 179.749 177.584 -0.196 0.000 1.172 456 A CA 1.695 53.433 52.037 -0.497 0.000 0.645 456 A CB -1.147 17.023 19.000 -1.383 0.000 0.813 456 A HN 0.404 nan 8.150 nan 0.000 0.454 457 F N 0.422 120.270 119.950 -0.169 0.000 2.259 457 F HA -0.072 4.454 4.527 -0.001 0.000 0.298 457 F C 1.911 177.701 175.800 -0.017 0.000 1.088 457 F CA 0.612 58.550 58.000 -0.103 0.000 1.358 457 F CB -0.025 38.824 39.000 -0.251 0.000 1.040 457 F HN 0.119 nan 8.300 nan 0.000 0.505 458 I N 2.189 122.766 120.570 0.012 0.000 2.091 458 I HA -0.239 3.930 4.170 -0.001 0.000 0.239 458 I C -0.245 175.947 176.117 0.124 0.000 1.061 458 I CA 1.861 63.208 61.300 0.079 0.000 1.317 458 I CB -2.876 35.178 38.000 0.090 0.000 1.031 458 I HN 0.107 nan 8.210 nan 0.000 0.401 459 P HA -0.206 nan 4.420 nan 0.000 0.218 459 P C 2.000 179.229 177.300 -0.119 0.000 1.149 459 P CA 1.494 64.630 63.100 0.060 0.000 0.817 459 P CB -0.270 31.331 31.700 -0.166 0.000 0.785 460 F N 2.474 122.245 119.950 -0.299 0.000 2.128 460 F HA -0.156 4.370 4.527 -0.001 0.000 0.295 460 F C 2.415 177.923 175.800 -0.488 0.000 1.100 460 F CA 2.106 59.880 58.000 -0.376 0.000 1.260 460 F CB -0.677 38.147 39.000 -0.293 0.000 1.009 460 F HN -0.071 nan 8.300 nan 0.000 0.476 461 S N -0.943 114.444 115.700 -0.522 0.000 2.442 461 S HA -0.272 4.197 4.470 -0.001 0.000 0.236 461 S C 1.943 176.398 174.600 -0.242 0.000 1.007 461 S CA 1.054 59.054 58.200 -0.333 0.000 0.965 461 S CB -1.407 61.496 63.200 -0.495 0.000 0.773 461 S HN 0.598 nan 8.310 nan 0.000 0.504 462 Y N 1.763 121.773 120.300 -0.484 0.000 2.263 462 Y HA 0.152 4.701 4.550 -0.001 0.000 0.292 462 Y C 2.090 177.424 175.900 -0.942 0.000 1.130 462 Y CA 1.008 58.579 58.100 -0.881 0.000 1.179 462 Y CB -0.360 37.433 38.460 -1.112 0.000 0.998 462 Y HN 0.316 nan 8.280 nan 0.000 0.532 463 L N -1.152 119.567 121.223 -0.840 0.000 1.994 463 L HA -0.195 4.144 4.340 -0.001 0.000 0.208 463 L C 2.193 178.623 176.870 -0.734 0.000 1.071 463 L CA 1.509 55.861 54.840 -0.814 0.000 0.745 463 L CB -0.618 40.969 42.059 -0.787 0.000 0.892 463 L HN 0.080 nan 8.230 nan 0.000 0.431 464 V N 0.164 119.601 119.914 -0.794 0.000 2.252 464 V HA -0.354 3.765 4.120 -0.001 0.000 0.249 464 V C 2.004 177.914 176.094 -0.307 0.000 1.056 464 V CA 2.319 64.299 62.300 -0.532 0.000 1.022 464 V CB -0.732 30.611 31.823 -0.800 0.000 0.641 464 V HN 0.521 nan 8.190 nan 0.000 0.445 465 D N -1.288 118.793 120.400 -0.533 0.000 2.323 465 D HA -0.059 4.580 4.640 -0.001 0.000 0.209 465 D C 2.341 177.885 176.300 -1.259 0.000 0.973 465 D CA 0.330 53.828 54.000 -0.836 0.000 0.874 465 D CB -0.116 40.098 40.800 -0.976 0.000 0.930 465 D HN 0.374 nan 8.370 nan 0.000 0.521 466 Q N -0.575 118.628 119.800 -0.994 0.000 2.084 466 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 466 Q C 2.008 177.861 176.000 -0.245 0.000 0.978 466 Q CA 0.882 56.305 55.803 -0.634 0.000 0.844 466 Q CB -0.552 27.821 28.738 -0.609 0.000 0.898 466 Q HN 0.479 nan 8.270 nan 0.000 0.426 467 W N 1.646 122.744 121.300 -0.337 0.000 2.354 467 W HA -0.131 4.528 4.660 -0.001 0.000 0.315 467 W C 2.278 178.710 176.519 -0.145 0.000 1.206 467 W CA 1.496 58.754 57.345 -0.146 0.000 1.290 467 W CB -0.139 29.306 29.460 -0.025 0.000 1.152 467 W HN 0.004 nan 8.180 nan 0.000 0.489 468 R N -0.693 119.709 120.500 -0.163 0.000 2.092 468 R HA -0.178 4.161 4.340 -0.001 0.000 0.231 468 R C 2.008 178.033 176.300 -0.457 0.000 1.119 468 R CA 1.726 57.546 56.100 -0.467 0.000 0.970 468 R CB -0.920 29.267 30.300 -0.189 0.000 0.864 468 R HN 0.251 nan 8.270 nan 0.000 0.440 469 W N 0.672 121.832 121.300 -0.234 0.000 2.374 469 W HA -0.071 4.589 4.660 -0.001 0.000 0.288 469 W C 1.926 178.354 176.519 -0.151 0.000 1.218 469 W CA 0.616 57.892 57.345 -0.114 0.000 1.245 469 W CB -0.561 28.863 29.460 -0.061 0.000 1.126 469 W HN 0.096 nan 8.180 nan 0.000 0.545 470 R N -0.529 119.962 120.500 -0.015 0.000 2.200 470 R HA -0.007 4.333 4.340 -0.001 0.000 0.208 470 R C 2.011 178.201 176.300 -0.184 0.000 1.033 470 R CA 0.679 56.733 56.100 -0.075 0.000 1.000 470 R CB -0.389 29.872 30.300 -0.066 0.000 0.906 470 R HN 0.000 nan 8.270 nan 0.000 0.462 471 V N 0.354 120.023 119.914 -0.408 0.000 2.323 471 V HA -0.200 3.919 4.120 -0.001 0.000 0.244 471 V C 1.880 177.882 176.094 -0.154 0.000 1.041 471 V CA 1.740 63.804 62.300 -0.393 0.000 1.025 471 V CB -0.438 30.903 31.823 -0.803 0.000 0.656 471 V HN 0.232 nan 8.190 nan 0.000 0.451 472 F N 1.451 121.303 119.950 -0.162 0.000 2.102 472 F HA -0.191 4.335 4.527 -0.001 0.000 0.298 472 F C 2.374 178.092 175.800 -0.137 0.000 1.105 472 F CA 1.228 59.118 58.000 -0.182 0.000 1.239 472 F CB -0.386 38.469 39.000 -0.241 0.000 0.991 472 F HN 0.393 nan 8.300 nan 0.000 0.474 473 D N -0.361 120.093 120.400 0.091 0.000 2.378 473 D HA 0.027 4.666 4.640 -0.001 0.000 0.227 473 D C 1.667 177.970 176.300 0.006 0.000 1.012 473 D CA 1.058 55.074 54.000 0.026 0.000 0.905 473 D CB -0.209 40.602 40.800 0.019 0.000 0.895 473 D HN 0.385 nan 8.370 nan 0.000 0.532 474 G N -0.287 108.515 108.800 0.004 0.000 2.175 474 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.244 474 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.244 474 G C 1.193 176.086 174.900 -0.011 0.000 0.982 474 G CA 0.778 45.875 45.100 -0.005 0.000 0.641 474 G HN 0.667 nan 8.290 nan 0.000 0.527 475 S N -0.679 115.014 115.700 -0.012 0.000 2.489 475 S HA 0.374 4.843 4.470 -0.001 0.000 0.228 475 S C 0.949 175.544 174.600 -0.009 0.000 0.995 475 S CA 0.697 58.893 58.200 -0.007 0.000 0.934 475 S CB 0.209 63.411 63.200 0.003 0.000 0.771 475 S HN 0.570 nan 8.310 nan 0.000 0.522 476 I N 3.115 123.666 120.570 -0.031 0.000 2.355 476 I HA 0.311 4.481 4.170 -0.001 0.000 0.288 476 I C 0.412 176.527 176.117 -0.004 0.000 0.999 476 I CA -0.534 60.758 61.300 -0.013 0.000 1.163 476 I CB 1.821 39.773 38.000 -0.080 0.000 1.316 476 I HN 0.176 nan 8.210 nan 0.000 0.454 477 T N 1.400 115.922 114.554 -0.054 0.000 2.923 477 T HA 0.286 4.635 4.350 -0.001 0.000 0.281 477 T C 1.023 175.394 174.700 -0.549 0.000 0.995 477 T CA -0.827 61.166 62.100 -0.180 0.000 0.985 477 T CB 1.448 70.241 68.868 -0.125 0.000 1.114 477 T HN 0.736 nan 8.240 nan 0.000 0.548 478 K N 0.010 119.929 120.400 -0.801 0.000 2.360 478 K HA -0.138 4.181 4.320 -0.001 0.000 0.201 478 K C 1.716 177.994 176.600 -0.537 0.000 1.046 478 K CA 1.631 57.176 56.287 -1.237 0.000 0.940 478 K CB -0.160 31.987 32.500 -0.587 0.000 0.748 478 K HN 0.689 nan 8.250 nan 0.000 0.465 479 E N 0.548 120.577 120.200 -0.286 0.000 2.152 479 E HA -0.025 4.324 4.350 -0.001 0.000 0.192 479 E C 0.872 177.462 176.600 -0.017 0.000 0.983 479 E CA 0.899 57.236 56.400 -0.105 0.000 0.818 479 E CB 0.263 29.923 29.700 -0.067 0.000 0.758 479 E HN 0.395 nan 8.360 nan 0.000 0.467 480 N N -0.991 117.704 118.700 -0.009 0.000 2.187 480 N HA 0.047 4.786 4.740 -0.001 0.000 0.212 480 N C 0.459 176.177 175.510 0.347 0.000 1.152 480 N CA -0.026 53.109 53.050 0.142 0.000 0.872 480 N CB 0.268 38.826 38.487 0.118 0.000 1.025 480 N HN 0.276 nan 8.380 nan 0.000 0.514 481 Y N 1.491 121.998 120.300 0.346 0.000 2.014 481 Y HA -0.324 4.225 4.550 -0.001 0.000 0.272 481 Y C 2.353 178.635 175.900 0.636 0.000 1.164 481 Y CA 1.247 59.718 58.100 0.617 0.000 1.114 481 Y CB -0.044 38.831 38.460 0.691 0.000 0.961 481 Y HN 0.116 nan 8.280 nan 0.000 0.489 482 N N -0.307 118.748 118.700 0.592 0.000 2.135 482 N HA -0.151 4.589 4.740 -0.001 0.000 0.186 482 N C 1.631 177.430 175.510 0.481 0.000 1.027 482 N CA 1.354 54.651 53.050 0.411 0.000 0.849 482 N CB -0.194 38.500 38.487 0.344 0.000 1.002 482 N HN 0.226 nan 8.380 nan 0.000 0.425 483 Q N 0.363 120.404 119.800 0.402 0.000 2.112 483 Q HA -0.114 4.225 4.340 -0.001 0.000 0.206 483 Q C 1.677 177.895 176.000 0.364 0.000 0.987 483 Q CA 1.281 57.293 55.803 0.349 0.000 0.858 483 Q CB -0.125 28.759 28.738 0.244 0.000 0.905 483 Q HN 0.339 nan 8.270 nan 0.000 0.420 484 E N -0.491 119.954 120.200 0.407 0.000 2.152 484 E HA -0.149 4.200 4.350 -0.001 0.000 0.192 484 E C 1.446 178.310 176.600 0.441 0.000 0.983 484 E CA 0.468 57.113 56.400 0.410 0.000 0.818 484 E CB -0.379 29.579 29.700 0.430 0.000 0.758 484 E HN 0.532 nan 8.360 nan 0.000 0.467 485 W N 0.209 121.604 121.300 0.159 0.000 2.333 485 W HA -0.232 4.427 4.660 -0.001 0.000 0.316 485 W C 1.412 177.765 176.519 -0.277 0.000 1.215 485 W CA 1.158 58.291 57.345 -0.353 0.000 1.278 485 W CB -0.722 28.253 29.460 -0.809 0.000 1.154 485 W HN 0.114 nan 8.180 nan 0.000 0.486 486 W N 0.542 121.890 121.300 0.080 0.000 2.467 486 W HA -0.140 4.520 4.660 -0.000 0.000 0.275 486 W C 3.079 179.589 176.519 -0.016 0.000 1.239 486 W CA 1.541 58.883 57.345 -0.004 0.000 1.266 486 W CB -0.911 28.624 29.460 0.125 0.000 1.112 486 W HN -0.211 nan 8.180 nan 0.000 0.576 487 S N 0.501 116.333 115.700 0.221 0.000 2.370 487 S HA -0.181 4.288 4.470 -0.001 0.000 0.226 487 S C 1.740 176.354 174.600 0.023 0.000 1.033 487 S CA 1.441 59.723 58.200 0.138 0.000 1.011 487 S CB -0.335 62.951 63.200 0.143 0.000 0.852 487 S HN 0.220 nan 8.310 nan 0.000 0.457 488 L N 0.610 121.805 121.223 -0.047 0.000 2.209 488 L HA 0.094 4.433 4.340 -0.001 0.000 0.207 488 L C 2.868 179.641 176.870 -0.161 0.000 1.094 488 L CA 0.513 55.295 54.840 -0.096 0.000 0.790 488 L CB -0.392 41.643 42.059 -0.040 0.000 0.932 488 L HN 0.158 nan 8.230 nan 0.000 0.447 489 R N 0.103 120.389 120.500 -0.357 0.000 2.091 489 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 489 R C 2.183 178.442 176.300 -0.069 0.000 1.136 489 R CA 1.304 57.195 56.100 -0.348 0.000 0.959 489 R CB -0.796 29.108 30.300 -0.660 0.000 0.856 489 R HN 0.240 nan 8.270 nan 0.000 0.437 490 L N 1.679 122.913 121.223 0.019 0.000 1.976 490 L HA -0.142 4.197 4.340 -0.001 0.000 0.209 490 L C 2.413 179.296 176.870 0.021 0.000 1.071 490 L CA 1.929 56.764 54.840 -0.008 0.000 0.746 490 L CB -0.673 41.462 42.059 0.128 0.000 0.890 490 L HN 0.010 nan 8.230 nan 0.000 0.432 491 K N -1.632 118.798 120.400 0.051 0.000 2.044 491 K HA -0.246 4.073 4.320 -0.001 0.000 0.210 491 K C 2.141 178.829 176.600 0.147 0.000 1.049 491 K CA 2.396 58.700 56.287 0.029 0.000 0.927 491 K CB -0.405 31.871 32.500 -0.373 0.000 0.713 491 K HN 0.466 nan 8.250 nan 0.000 0.443 492 Y N -0.309 120.123 120.300 0.221 0.000 2.301 492 Y HA 0.007 4.557 4.550 -0.001 0.000 0.295 492 Y C 2.384 178.465 175.900 0.303 0.000 1.119 492 Y CA 0.630 58.888 58.100 0.264 0.000 1.162 492 Y CB 0.321 38.766 38.460 -0.025 0.000 1.046 492 Y HN 0.111 nan 8.280 nan 0.000 0.538 493 Q N -0.812 119.132 119.800 0.239 0.000 2.396 493 Q HA 0.173 4.512 4.340 -0.001 0.000 0.209 493 Q C 0.920 176.901 176.000 -0.032 0.000 0.906 493 Q CA 0.475 56.409 55.803 0.218 0.000 0.927 493 Q CB 0.846 29.716 28.738 0.220 0.000 1.069 493 Q HN 0.560 nan 8.270 nan 0.000 0.523 494 G N 1.674 109.980 108.800 -0.824 0.000 2.272 494 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.280 494 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.280 494 G C -0.380 174.287 174.900 -0.388 0.000 1.067 494 G CA 0.101 44.108 45.100 -1.821 0.000 0.902 494 G HN 0.174 nan 8.290 nan 0.000 0.500 495 L N -0.804 120.337 121.223 -0.138 0.000 2.354 495 L HA 0.787 5.126 4.340 -0.001 0.000 0.269 495 L C 0.880 177.867 176.870 0.195 0.000 1.005 495 L CA -1.095 53.816 54.840 0.119 0.000 0.819 495 L CB 2.214 44.425 42.059 0.253 0.000 1.311 495 L HN 0.535 nan 8.230 nan 0.000 0.423 496 C N -0.184 119.212 119.300 0.161 0.000 2.707 496 C HA 0.767 5.226 4.460 -0.001 0.000 0.313 496 C C -2.690 172.132 174.990 -0.279 0.000 1.209 496 C CA -2.509 56.516 59.018 0.012 0.000 1.635 496 C CB 1.900 29.630 27.740 -0.016 0.000 2.206 496 C HN 0.472 nan 8.230 nan 0.000 0.485 497 P HA 0.259 nan 4.420 nan 0.000 0.276 497 P C -2.007 174.866 177.300 -0.713 0.000 1.235 497 P CA -0.959 61.514 63.100 -1.045 0.000 0.772 497 P CB 0.749 31.634 31.700 -1.360 0.000 0.871 498 P HA -0.057 nan 4.420 nan 0.000 0.223 498 P C 0.268 177.283 177.300 -0.475 0.000 1.151 498 P CA 0.984 63.667 63.100 -0.694 0.000 0.787 498 P CB 0.440 31.376 31.700 -1.274 0.000 0.788 499 V N 1.493 121.155 119.914 -0.421 0.000 2.540 499 V HA 0.339 4.458 4.120 -0.001 0.000 0.302 499 V C -2.392 173.583 176.094 -0.200 0.000 1.035 499 V CA -2.293 59.877 62.300 -0.216 0.000 0.873 499 V CB 1.938 33.711 31.823 -0.083 0.000 0.992 499 V HN -0.147 nan 8.190 nan 0.000 0.428 500 P HA 0.149 nan 4.420 nan 0.000 0.267 500 P C -0.794 176.443 177.300 -0.105 0.000 1.200 500 P CA -0.194 62.808 63.100 -0.164 0.000 0.772 500 P CB 0.348 31.974 31.700 -0.123 0.000 0.855 501 R N 1.403 121.841 120.500 -0.103 0.000 2.349 501 R HA 0.450 4.789 4.340 -0.001 0.000 0.299 501 R C 0.753 177.054 176.300 0.002 0.000 1.027 501 R CA -0.274 55.809 56.100 -0.028 0.000 0.958 501 R CB -0.246 30.059 30.300 0.009 0.000 1.047 501 R HN 0.517 nan 8.270 nan 0.000 0.468 502 T N -1.733 112.830 114.554 0.016 0.000 2.889 502 T HA 0.238 4.587 4.350 -0.001 0.000 0.278 502 T C 0.204 174.926 174.700 0.036 0.000 0.995 502 T CA -0.809 61.301 62.100 0.017 0.000 0.966 502 T CB 1.223 70.093 68.868 0.003 0.000 1.237 502 T HN 0.313 nan 8.240 nan 0.000 0.591 503 Q N 0.000 119.817 119.800 0.028 0.000 2.332 503 Q HA 0.393 4.732 4.340 -0.001 0.000 0.263 503 Q C 1.227 177.244 176.000 0.028 0.000 0.979 503 Q CA 1.368 57.191 55.803 0.034 0.000 0.885 503 Q CB 0.534 29.285 28.738 0.021 0.000 1.218 503 Q HN 1.295 nan 8.270 nan 0.000 0.405 504 G N 4.039 112.864 108.800 0.042 0.000 2.234 504 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.235 504 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.235 504 G C -0.256 174.674 174.900 0.050 0.000 0.997 504 G CA 0.079 45.196 45.100 0.030 0.000 0.623 504 G HN 0.638 nan 8.290 nan 0.000 0.514 505 D N -0.145 120.295 120.400 0.067 0.000 2.424 505 D HA 0.495 5.134 4.640 -0.001 0.000 0.244 505 D C -0.395 176.006 176.300 0.168 0.000 1.134 505 D CA 0.371 54.413 54.000 0.071 0.000 0.881 505 D CB 0.769 41.607 40.800 0.063 0.000 1.191 505 D HN 0.135 nan 8.370 nan 0.000 0.445 506 F N 2.905 122.789 119.950 -0.110 0.000 2.769 506 F HA 0.190 4.716 4.527 -0.001 0.000 0.358 506 F C 0.492 176.071 175.800 -0.370 0.000 1.285 506 F CA -0.839 57.047 58.000 -0.191 0.000 1.199 506 F CB 0.577 39.475 39.000 -0.169 0.000 1.558 506 F HN 0.063 nan 8.300 nan 0.000 0.583 507 D N 2.885 122.922 120.400 -0.604 0.000 2.178 507 D HA -0.092 4.547 4.640 -0.001 0.000 0.201 507 D C -0.715 174.784 176.300 -1.335 0.000 0.980 507 D CA 1.261 54.827 54.000 -0.723 0.000 0.842 507 D CB -0.913 39.712 40.800 -0.292 0.000 0.948 507 D HN 0.367 nan 8.370 nan 0.000 0.472 508 P HA -0.071 nan 4.420 nan 0.000 0.219 508 P C 1.538 177.946 177.300 -1.486 0.000 1.146 508 P CA 1.378 63.050 63.100 -2.379 0.000 0.808 508 P CB -0.174 29.769 31.700 -2.929 0.000 0.779 509 G N -0.054 107.884 108.800 -1.436 0.000 2.509 509 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.218 509 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.218 509 G C 1.435 176.206 174.900 -0.215 0.000 1.124 509 G CA 0.607 45.394 45.100 -0.522 0.000 0.776 509 G HN 0.338 nan 8.290 nan 0.000 0.547 510 A N -0.676 121.982 122.820 -0.271 0.000 2.235 510 A HA 0.347 4.666 4.320 -0.001 0.000 0.208 510 A C 1.179 179.197 177.584 0.724 0.000 1.172 510 A CA 0.594 52.663 52.037 0.055 0.000 0.786 510 A CB -0.054 18.846 19.000 -0.165 0.000 0.804 510 A HN 0.241 nan 8.150 nan 0.000 0.479 511 K N -0.853 119.679 120.400 0.219 0.000 2.307 511 K HA 0.443 4.762 4.320 -0.001 0.000 0.263 511 K C 0.229 176.670 176.600 -0.264 0.000 0.973 511 K CA -0.945 55.331 56.287 -0.018 0.000 0.846 511 K CB 0.279 32.597 32.500 -0.304 0.000 1.100 511 K HN 0.062 nan 8.250 nan 0.000 0.438 512 F N 3.840 123.428 119.950 -0.603 0.000 2.048 512 F HA -0.338 4.188 4.527 -0.001 0.000 0.296 512 F C 1.090 176.456 175.800 -0.724 0.000 1.109 512 F CA 2.291 59.618 58.000 -1.123 0.000 1.214 512 F CB -0.205 38.088 39.000 -1.179 0.000 0.963 512 F HN 0.882 nan 8.300 nan 0.000 0.491 513 H N -0.288 118.577 119.070 -0.341 0.000 2.543 513 H HA -0.105 4.450 4.556 -0.001 0.000 0.286 513 H C 2.055 177.265 175.328 -0.197 0.000 1.037 513 H CA 1.259 57.196 56.048 -0.185 0.000 1.250 513 H CB -0.236 29.666 29.762 0.233 0.000 1.373 513 H HN 0.276 nan 8.280 nan 0.000 0.580 514 I N 0.633 121.081 120.570 -0.204 0.000 2.364 514 I HA -0.054 4.115 4.170 -0.001 0.000 0.241 514 I C -0.523 175.507 176.117 -0.144 0.000 1.082 514 I CA 0.498 61.721 61.300 -0.128 0.000 1.401 514 I CB -1.921 35.868 38.000 -0.353 0.000 1.126 514 I HN 0.149 nan 8.210 nan 0.000 0.429 515 P HA -0.026 nan 4.420 nan 0.000 0.221 515 P C 1.476 178.543 177.300 -0.388 0.000 1.150 515 P CA 1.195 64.135 63.100 -0.266 0.000 0.800 515 P CB 0.064 31.637 31.700 -0.211 0.000 0.787 516 S N -0.744 114.605 115.700 -0.584 0.000 2.528 516 S HA 0.032 4.502 4.470 -0.001 0.000 0.219 516 S C 0.981 175.394 174.600 -0.312 0.000 0.985 516 S CA 0.549 58.373 58.200 -0.626 0.000 0.914 516 S CB -0.731 61.634 63.200 -1.391 0.000 0.776 516 S HN 0.200 nan 8.310 nan 0.000 0.526 517 S N 0.765 116.380 115.700 -0.142 0.000 3.698 517 S HA -0.142 4.328 4.470 -0.001 0.000 0.338 517 S C -0.103 174.596 174.600 0.165 0.000 1.089 517 S CA 0.115 58.438 58.200 0.204 0.000 0.991 517 S CB -1.700 61.705 63.200 0.341 0.000 0.909 517 S HN 0.277 nan 8.310 nan 0.000 0.485 518 V N 2.651 122.604 119.914 0.064 0.000 2.383 518 V HA 0.423 4.542 4.120 -0.001 0.000 0.275 518 V C -1.746 174.363 176.094 0.025 0.000 1.036 518 V CA -1.712 60.607 62.300 0.032 0.000 0.889 518 V CB 1.247 33.205 31.823 0.224 0.000 0.985 518 V HN 0.254 nan 8.190 nan 0.000 0.459 519 P HA 0.079 nan 4.420 nan 0.000 0.269 519 P C -0.377 176.989 177.300 0.110 0.000 1.209 519 P CA 0.284 63.196 63.100 -0.315 0.000 0.776 519 P CB 0.581 31.919 31.700 -0.605 0.000 0.876 520 Y N 1.536 121.887 120.300 0.085 0.000 2.535 520 Y HA 0.153 4.702 4.550 -0.001 0.000 0.264 520 Y C 1.922 177.896 175.900 0.123 0.000 1.087 520 Y CA 0.187 58.366 58.100 0.132 0.000 1.285 520 Y CB -0.082 38.359 38.460 -0.031 0.000 1.200 520 Y HN 0.138 nan 8.280 nan 0.000 0.514 521 I N 1.761 122.420 120.570 0.148 0.000 2.530 521 I HA -0.307 3.862 4.170 -0.001 0.000 0.257 521 I C 2.461 178.678 176.117 0.167 0.000 1.179 521 I CA 1.420 62.780 61.300 0.101 0.000 1.440 521 I CB -0.374 37.664 38.000 0.063 0.000 1.087 521 I HN 0.242 nan 8.210 nan 0.000 0.440 522 R N -0.515 120.047 120.500 0.104 0.000 2.117 522 R HA -0.253 4.086 4.340 -0.001 0.000 0.243 522 R C 1.961 178.220 176.300 -0.068 0.000 1.143 522 R CA 2.244 58.357 56.100 0.021 0.000 0.968 522 R CB -1.421 28.745 30.300 -0.224 0.000 0.863 522 R HN 0.386 nan 8.270 nan 0.000 0.444 523 Y N -0.291 120.044 120.300 0.058 0.000 2.395 523 Y HA -0.019 4.530 4.550 -0.001 0.000 0.293 523 Y C 2.104 178.152 175.900 0.246 0.000 1.123 523 Y CA 0.673 58.843 58.100 0.117 0.000 1.227 523 Y CB -0.211 38.180 38.460 -0.114 0.000 1.012 523 Y HN 0.057 nan 8.280 nan 0.000 0.552 524 F N -0.244 119.804 119.950 0.165 0.000 2.163 524 F HA -0.128 4.398 4.527 -0.001 0.000 0.297 524 F C 1.957 177.862 175.800 0.176 0.000 1.094 524 F CA 0.982 59.059 58.000 0.129 0.000 1.290 524 F CB -0.484 38.550 39.000 0.056 0.000 1.017 524 F HN -0.202 nan 8.300 nan 0.000 0.483 525 V N -0.266 119.778 119.914 0.218 0.000 2.307 525 V HA -0.273 3.846 4.120 -0.001 0.000 0.245 525 V C 2.692 178.785 176.094 -0.001 0.000 1.045 525 V CA 1.977 64.322 62.300 0.075 0.000 1.024 525 V CB -0.987 30.929 31.823 0.154 0.000 0.651 525 V HN 0.546 nan 8.190 nan 0.000 0.449 526 S N -0.360 115.409 115.700 0.114 0.000 2.370 526 S HA -0.225 4.244 4.470 -0.001 0.000 0.226 526 S C 1.899 176.565 174.600 0.109 0.000 1.033 526 S CA 1.898 60.161 58.200 0.104 0.000 1.011 526 S CB -0.425 62.932 63.200 0.261 0.000 0.852 526 S HN 0.467 nan 8.310 nan 0.000 0.457 527 F N 1.499 121.436 119.950 -0.021 0.000 2.206 527 F HA 0.147 4.674 4.527 -0.001 0.000 0.298 527 F C 2.161 177.977 175.800 0.027 0.000 1.090 527 F CA 0.226 58.243 58.000 0.028 0.000 1.323 527 F CB -0.431 38.684 39.000 0.192 0.000 1.028 527 F HN 0.225 nan 8.300 nan 0.000 0.492 528 I N 0.748 121.336 120.570 0.031 0.000 2.113 528 I HA -0.259 3.910 4.170 -0.001 0.000 0.238 528 I C 2.555 178.616 176.117 -0.094 0.000 1.070 528 I CA 1.708 62.975 61.300 -0.055 0.000 1.332 528 I CB -1.511 36.364 38.000 -0.210 0.000 1.044 528 I HN 0.179 nan 8.210 nan 0.000 0.402 529 I N 0.064 120.475 120.570 -0.265 0.000 2.676 529 I HA -0.236 3.933 4.170 -0.001 0.000 0.259 529 I C 2.516 178.088 176.117 -0.908 0.000 1.194 529 I CA 0.938 61.897 61.300 -0.568 0.000 1.473 529 I CB -0.667 36.893 38.000 -0.733 0.000 1.096 529 I HN 0.341 nan 8.210 nan 0.000 0.443 530 Q N 1.272 120.679 119.800 -0.653 0.000 2.124 530 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 530 Q C 1.866 177.591 176.000 -0.458 0.000 0.977 530 Q CA 1.686 57.125 55.803 -0.606 0.000 0.850 530 Q CB -0.856 27.525 28.738 -0.595 0.000 0.901 530 Q HN 0.556 nan 8.270 nan 0.000 0.429 531 F N 1.567 121.349 119.950 -0.279 0.000 2.325 531 F HA -0.053 4.473 4.527 -0.001 0.000 0.299 531 F C 2.501 178.284 175.800 -0.028 0.000 1.090 531 F CA 1.190 59.093 58.000 -0.163 0.000 1.392 531 F CB 0.031 38.914 39.000 -0.196 0.000 1.053 531 F HN 0.105 nan 8.300 nan 0.000 0.521 532 Q N -0.652 119.189 119.800 0.069 0.000 2.079 532 Q HA -0.144 4.195 4.340 -0.001 0.000 0.200 532 Q C 2.107 178.245 176.000 0.230 0.000 0.974 532 Q CA 1.205 57.074 55.803 0.111 0.000 0.840 532 Q CB -0.277 28.491 28.738 0.051 0.000 0.898 532 Q HN 0.311 nan 8.270 nan 0.000 0.430 533 F N 0.091 120.025 119.950 -0.027 0.000 2.102 533 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 533 F C 2.331 178.115 175.800 -0.027 0.000 1.105 533 F CA 1.567 59.531 58.000 -0.060 0.000 1.239 533 F CB -1.349 37.569 39.000 -0.137 0.000 0.991 533 F HN 0.235 nan 8.300 nan 0.000 0.474 534 H N 0.082 119.191 119.070 0.065 0.000 2.290 534 H HA -0.172 4.384 4.556 -0.001 0.000 0.298 534 H C 2.301 177.657 175.328 0.047 0.000 1.087 534 H CA 2.343 58.382 56.048 -0.016 0.000 1.291 534 H CB -0.335 29.343 29.762 -0.140 0.000 1.369 534 H HN 0.339 nan 8.280 nan 0.000 0.492 535 E N -0.354 119.907 120.200 0.103 0.000 2.070 535 E HA -0.230 4.119 4.350 -0.001 0.000 0.197 535 E C 2.212 178.828 176.600 0.027 0.000 1.004 535 E CA 1.170 57.608 56.400 0.064 0.000 0.805 535 E CB -0.281 29.505 29.700 0.144 0.000 0.744 535 E HN 0.600 nan 8.360 nan 0.000 0.451 536 A N 0.309 123.166 122.820 0.062 0.000 1.929 536 A HA -0.083 4.236 4.320 -0.001 0.000 0.216 536 A C 2.000 179.585 177.584 0.003 0.000 1.176 536 A CA 0.687 52.753 52.037 0.048 0.000 0.628 536 A CB -0.266 18.783 19.000 0.081 0.000 0.816 536 A HN 0.257 nan 8.150 nan 0.000 0.444 537 L N -0.568 120.641 121.223 -0.023 0.000 2.156 537 L HA -0.102 4.237 4.340 -0.001 0.000 0.208 537 L C 2.497 179.320 176.870 -0.079 0.000 1.095 537 L CA 1.134 55.941 54.840 -0.055 0.000 0.770 537 L CB -1.137 40.887 42.059 -0.059 0.000 0.914 537 L HN 0.496 nan 8.230 nan 0.000 0.439 538 c N -1.485 117.034 118.600 -0.136 0.000 2.440 538 c HA -0.121 4.448 4.570 -0.001 0.000 0.278 538 c C 2.803 176.892 174.090 -0.002 0.000 1.295 538 c CA 0.289 56.542 56.329 -0.125 0.000 1.738 538 c CB -0.555 41.803 42.510 -0.254 0.000 1.987 538 c HN 0.562 nan 8.230 nan 0.000 0.492 539 Q N 1.178 120.979 119.800 0.002 0.000 2.079 539 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 539 Q C 2.388 178.394 176.000 0.011 0.000 0.974 539 Q CA 2.017 57.833 55.803 0.022 0.000 0.840 539 Q CB -0.346 28.407 28.738 0.026 0.000 0.898 539 Q HN 0.635 nan 8.270 nan 0.000 0.430 540 A N 0.658 123.477 122.820 -0.002 0.000 1.933 540 A HA -0.046 4.273 4.320 -0.001 0.000 0.218 540 A C 2.173 179.752 177.584 -0.008 0.000 1.175 540 A CA 1.714 53.746 52.037 -0.008 0.000 0.628 540 A CB -0.664 18.326 19.000 -0.018 0.000 0.814 540 A HN 0.439 nan 8.150 nan 0.000 0.444 541 A N -1.436 121.379 122.820 -0.008 0.000 2.209 541 A HA 0.382 4.701 4.320 -0.001 0.000 0.212 541 A C 1.708 179.303 177.584 0.018 0.000 1.158 541 A CA 1.204 53.240 52.037 -0.002 0.000 0.742 541 A CB -1.130 17.866 19.000 -0.007 0.000 0.790 541 A HN 1.977 nan 8.150 nan 0.000 0.472 542 G N -0.735 108.079 108.800 0.023 0.000 2.256 542 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.272 542 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.272 542 G C -0.099 174.823 174.900 0.037 0.000 1.076 542 G CA 0.440 45.552 45.100 0.019 0.000 0.882 542 G HN 1.065 nan 8.290 nan 0.000 0.497 543 H N 1.042 120.091 119.070 -0.036 0.000 2.668 543 H HA 0.593 5.148 4.556 -0.001 0.000 0.303 543 H C 1.004 176.312 175.328 -0.034 0.000 1.074 543 H CA 0.663 56.688 56.048 -0.039 0.000 1.406 543 H CB 0.646 30.375 29.762 -0.055 0.000 1.442 543 H HN 0.395 nan 8.280 nan 0.000 0.482 544 T N 2.120 116.386 114.554 -0.480 0.000 2.944 544 T HA 0.689 5.038 4.350 -0.001 0.000 0.284 544 T C 0.693 175.056 174.700 -0.561 0.000 1.010 544 T CA -0.137 61.743 62.100 -0.366 0.000 1.025 544 T CB 1.480 70.226 68.868 -0.203 0.000 1.079 544 T HN 1.089 nan 8.240 nan 0.000 0.516 545 G N 1.727 110.366 108.800 -0.269 0.000 2.660 545 G HA2 -0.016 3.943 3.960 -0.001 0.000 0.215 545 G HA3 -0.016 3.943 3.960 -0.001 0.000 0.215 545 G C -2.871 171.987 174.900 -0.070 0.000 1.345 545 G CA -0.770 44.221 45.100 -0.181 0.000 0.877 545 G HN 0.898 nan 8.290 nan 0.000 0.549 546 P HA 0.338 nan 4.420 nan 0.000 0.268 546 P C 1.107 178.444 177.300 0.061 0.000 1.204 546 P CA -0.556 62.538 63.100 -0.009 0.000 0.768 546 P CB 0.739 32.335 31.700 -0.174 0.000 0.842 547 L N 3.810 125.084 121.223 0.085 0.000 2.083 547 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 547 L C 2.214 179.122 176.870 0.063 0.000 1.083 547 L CA 1.804 56.719 54.840 0.126 0.000 0.752 547 L CB -1.325 40.873 42.059 0.232 0.000 0.899 547 L HN 0.543 nan 8.230 nan 0.000 0.433 548 H N -1.205 117.750 119.070 -0.192 0.000 2.545 548 H HA -0.085 4.470 4.556 -0.001 0.000 0.282 548 H C 1.410 176.754 175.328 0.027 0.000 1.020 548 H CA 1.078 56.919 56.048 -0.345 0.000 1.243 548 H CB -0.271 29.053 29.762 -0.730 0.000 1.377 548 H HN 0.411 nan 8.280 nan 0.000 0.581 549 K N 0.383 120.556 120.400 -0.378 0.000 2.393 549 K HA 0.079 4.398 4.320 -0.001 0.000 0.193 549 K C 0.614 177.093 176.600 -0.203 0.000 1.026 549 K CA -0.012 56.137 56.287 -0.230 0.000 1.064 549 K CB 0.315 32.707 32.500 -0.179 0.000 0.833 549 K HN 0.160 nan 8.250 nan 0.000 0.521 550 c N 2.384 120.715 118.600 -0.449 0.000 2.653 550 c HA 0.098 4.667 4.570 -0.001 0.000 0.421 550 c C -0.246 173.744 174.090 -0.167 0.000 1.334 550 c CA -0.086 55.800 56.329 -0.738 0.000 1.885 550 c CB -0.233 41.770 42.510 -0.844 0.000 2.645 550 c HN 0.330 nan 8.230 nan 0.000 0.601 551 D N 3.935 124.267 120.400 -0.114 0.000 2.386 551 D HA 0.248 4.887 4.640 -0.001 0.000 0.247 551 D C 0.520 176.863 176.300 0.073 0.000 1.336 551 D CA -0.544 53.489 54.000 0.056 0.000 0.976 551 D CB 0.651 41.501 40.800 0.082 0.000 1.257 551 D HN 0.598 nan 8.370 nan 0.000 0.570 552 I N 1.090 121.732 120.570 0.121 0.000 3.564 552 I HA 0.223 4.393 4.170 -0.001 0.000 0.294 552 I C 0.599 176.754 176.117 0.063 0.000 1.289 552 I CA -0.440 60.908 61.300 0.080 0.000 1.325 552 I CB -0.578 37.461 38.000 0.064 0.000 1.039 552 I HN 0.207 nan 8.210 nan 0.000 0.474 553 Y N 3.362 123.594 120.300 -0.113 0.000 2.895 553 Y HA -0.138 4.412 4.550 -0.001 0.000 0.334 553 Y C 1.366 177.101 175.900 -0.274 0.000 1.261 553 Y CA 1.004 58.806 58.100 -0.496 0.000 1.560 553 Y CB 0.148 38.302 38.460 -0.511 0.000 1.253 553 Y HN 0.469 nan 8.280 nan 0.000 0.582 554 Q N 2.075 121.337 119.800 -0.897 0.000 2.374 554 Q HA -0.275 4.065 4.340 -0.001 0.000 0.218 554 Q C -0.317 175.520 176.000 -0.272 0.000 0.691 554 Q CA 0.880 56.323 55.803 -0.600 0.000 1.340 554 Q CB -1.310 27.161 28.738 -0.445 0.000 1.498 554 Q HN 0.620 nan 8.270 nan 0.000 0.739 555 S N 0.298 115.880 115.700 -0.197 0.000 2.430 555 S HA 0.170 4.639 4.470 -0.001 0.000 0.282 555 S C 0.996 175.537 174.600 -0.098 0.000 1.186 555 S CA -0.434 57.701 58.200 -0.107 0.000 1.060 555 S CB 0.585 63.746 63.200 -0.064 0.000 0.966 555 S HN 0.197 nan 8.310 nan 0.000 0.501 556 K N 3.924 124.274 120.400 -0.082 0.000 2.296 556 K HA 0.021 4.340 4.320 -0.001 0.000 0.200 556 K C 1.343 177.912 176.600 -0.051 0.000 1.048 556 K CA 0.711 56.958 56.287 -0.066 0.000 0.966 556 K CB -0.015 32.450 32.500 -0.058 0.000 0.754 556 K HN 0.575 nan 8.250 nan 0.000 0.466 557 E N 1.350 121.522 120.200 -0.046 0.000 2.047 557 E HA -0.072 4.277 4.350 -0.001 0.000 0.191 557 E C 1.997 178.571 176.600 -0.044 0.000 0.987 557 E CA 1.358 57.736 56.400 -0.038 0.000 0.799 557 E CB -0.273 29.409 29.700 -0.029 0.000 0.752 557 E HN 0.290 nan 8.360 nan 0.000 0.449 558 A N 0.518 123.309 122.820 -0.049 0.000 1.877 558 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 558 A C 2.459 180.005 177.584 -0.064 0.000 1.186 558 A CA 1.832 53.836 52.037 -0.055 0.000 0.620 558 A CB -1.338 17.634 19.000 -0.047 0.000 0.822 558 A HN 0.359 nan 8.150 nan 0.000 0.443 559 G N -1.043 107.721 108.800 -0.060 0.000 2.442 559 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.219 559 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.219 559 G C 1.617 176.481 174.900 -0.060 0.000 1.141 559 G CA 1.411 46.477 45.100 -0.056 0.000 0.763 559 G HN 0.532 nan 8.290 nan 0.000 0.554 560 Q N 0.268 120.035 119.800 -0.054 0.000 2.119 560 Q HA 0.060 4.399 4.340 -0.001 0.000 0.201 560 Q C 2.609 178.575 176.000 -0.057 0.000 0.972 560 Q CA 1.232 57.006 55.803 -0.048 0.000 0.847 560 Q CB -0.234 28.482 28.738 -0.037 0.000 0.903 560 Q HN 0.487 nan 8.270 nan 0.000 0.433 561 R N -0.871 119.587 120.500 -0.069 0.000 2.115 561 R HA 0.027 4.367 4.340 -0.001 0.000 0.226 561 R C 2.198 178.420 176.300 -0.130 0.000 1.100 561 R CA 0.965 57.014 56.100 -0.084 0.000 0.980 561 R CB -0.113 30.135 30.300 -0.086 0.000 0.875 561 R HN 0.284 nan 8.270 nan 0.000 0.445 562 L N -0.309 120.823 121.223 -0.151 0.000 2.044 562 L HA -0.072 4.268 4.340 -0.001 0.000 0.205 562 L C 2.607 179.365 176.870 -0.187 0.000 1.075 562 L CA 1.103 55.820 54.840 -0.205 0.000 0.747 562 L CB -0.526 41.423 42.059 -0.183 0.000 0.903 562 L HN 0.217 nan 8.230 nan 0.000 0.435 563 A N -0.335 122.406 122.820 -0.132 0.000 1.940 563 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 563 A C 2.328 179.864 177.584 -0.079 0.000 1.176 563 A CA 2.376 54.345 52.037 -0.113 0.000 0.631 563 A CB -0.893 18.062 19.000 -0.074 0.000 0.814 563 A HN 0.405 nan 8.150 nan 0.000 0.446 564 T N 0.124 114.643 114.554 -0.057 0.000 2.777 564 T HA 0.052 4.401 4.350 -0.001 0.000 0.266 564 T C 2.218 176.917 174.700 -0.002 0.000 1.040 564 T CA 1.432 63.518 62.100 -0.022 0.000 1.141 564 T CB -0.381 68.477 68.868 -0.016 0.000 0.868 564 T HN 0.586 nan 8.240 nan 0.000 0.444 565 A N 1.426 124.234 122.820 -0.019 0.000 1.873 565 A HA 0.041 4.361 4.320 -0.001 0.000 0.215 565 A C 2.339 179.965 177.584 0.070 0.000 1.186 565 A CA 1.267 53.332 52.037 0.046 0.000 0.616 565 A CB -0.655 18.379 19.000 0.057 0.000 0.823 565 A HN 0.414 nan 8.150 nan 0.000 0.442 566 M N -0.782 118.762 119.600 -0.093 0.000 2.213 566 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 566 M C 1.985 178.370 176.300 0.141 0.000 1.062 566 M CA 1.435 56.608 55.300 -0.212 0.000 1.105 566 M CB -0.270 31.918 32.600 -0.688 0.000 1.385 566 M HN 0.325 nan 8.290 nan 0.000 0.417 567 K N 0.360 120.811 120.400 0.086 0.000 2.283 567 K HA -0.041 4.279 4.320 -0.001 0.000 0.202 567 K C 1.752 178.469 176.600 0.194 0.000 1.048 567 K CA 0.821 57.195 56.287 0.144 0.000 0.948 567 K CB -0.098 32.445 32.500 0.071 0.000 0.742 567 K HN 0.355 nan 8.250 nan 0.000 0.458 568 L N 0.051 121.378 121.223 0.174 0.000 2.141 568 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 568 L C 1.708 178.696 176.870 0.196 0.000 1.094 568 L CA 0.950 55.879 54.840 0.148 0.000 0.763 568 L CB -1.081 41.039 42.059 0.102 0.000 0.908 568 L HN 0.416 nan 8.230 nan 0.000 0.437 569 G N 0.519 109.530 108.800 0.350 0.000 2.629 569 G HA2 -0.439 3.520 3.960 -0.001 0.000 0.313 569 G HA3 -0.439 3.520 3.960 -0.001 0.000 0.313 569 G C 0.307 175.333 174.900 0.211 0.000 1.217 569 G CA 0.790 46.087 45.100 0.329 0.000 0.994 569 G HN 0.272 nan 8.290 nan 0.000 0.549 570 F N 2.612 122.532 119.950 -0.050 0.000 2.684 570 F HA 0.427 4.953 4.527 -0.001 0.000 0.298 570 F C 2.372 178.165 175.800 -0.012 0.000 1.120 570 F CA 0.834 58.812 58.000 -0.038 0.000 1.332 570 F CB 0.174 39.135 39.000 -0.064 0.000 0.986 570 F HN 0.441 nan 8.300 nan 0.000 0.524 571 S N -0.304 115.372 115.700 -0.039 0.000 2.406 571 S HA 0.093 4.562 4.470 -0.001 0.000 0.228 571 S C 1.002 175.511 174.600 -0.151 0.000 1.020 571 S CA 0.389 58.547 58.200 -0.068 0.000 0.965 571 S CB -0.032 63.168 63.200 -0.000 0.000 0.798 571 S HN 0.113 nan 8.310 nan 0.000 0.488 572 R N 1.312 121.709 120.500 -0.172 0.000 2.854 572 R HA 0.584 4.923 4.340 -0.001 0.000 0.271 572 R C -3.242 172.920 176.300 -0.230 0.000 0.994 572 R CA -2.545 53.455 56.100 -0.168 0.000 0.945 572 R CB -0.017 30.230 30.300 -0.089 0.000 1.194 572 R HN 0.119 nan 8.270 nan 0.000 0.476 573 P HA -0.046 nan 4.420 nan 0.000 0.265 573 P C 1.034 178.234 177.300 -0.167 0.000 1.187 573 P CA -0.070 62.903 63.100 -0.212 0.000 0.766 573 P CB 0.269 31.837 31.700 -0.220 0.000 0.820 574 W N 3.636 124.858 121.300 -0.131 0.000 2.374 574 W HA -0.042 4.618 4.660 -0.001 0.000 0.288 574 W C -1.705 174.797 176.519 -0.028 0.000 1.218 574 W CA 0.907 58.140 57.345 -0.186 0.000 1.245 574 W CB -2.847 26.483 29.460 -0.216 0.000 1.126 574 W HN 0.314 nan 8.180 nan 0.000 0.545 575 P HA -0.181 nan 4.420 nan 0.000 0.221 575 P C 1.430 178.738 177.300 0.014 0.000 1.145 575 P CA 2.356 65.296 63.100 -0.267 0.000 0.795 575 P CB -0.240 31.144 31.700 -0.527 0.000 0.775 576 E N -0.224 119.967 120.200 -0.016 0.000 2.028 576 E HA -0.143 4.206 4.350 -0.001 0.000 0.191 576 E C 2.142 178.809 176.600 0.111 0.000 0.988 576 E CA 1.333 57.749 56.400 0.028 0.000 0.799 576 E CB -0.719 28.971 29.700 -0.016 0.000 0.755 576 E HN 0.170 nan 8.360 nan 0.000 0.447 577 A N 1.392 124.297 122.820 0.141 0.000 1.908 577 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 577 A C 2.173 180.032 177.584 0.458 0.000 1.181 577 A CA 1.798 53.982 52.037 0.245 0.000 0.627 577 A CB -0.480 18.607 19.000 0.144 0.000 0.818 577 A HN 0.183 nan 8.150 nan 0.000 0.445 578 M N -0.645 119.349 119.600 0.657 0.000 2.117 578 M HA -0.189 4.290 4.480 -0.001 0.000 0.262 578 M C 2.186 178.702 176.300 0.360 0.000 1.065 578 M CA 2.365 58.076 55.300 0.685 0.000 1.114 578 M CB -0.488 32.616 32.600 0.841 0.000 1.361 578 M HN 0.528 nan 8.290 nan 0.000 0.408 579 Q N -0.324 119.625 119.800 0.250 0.000 2.084 579 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 579 Q C 1.922 177.991 176.000 0.115 0.000 0.978 579 Q CA 1.832 57.726 55.803 0.152 0.000 0.844 579 Q CB -0.330 28.467 28.738 0.097 0.000 0.898 579 Q HN 0.627 nan 8.270 nan 0.000 0.426 580 L N -0.267 121.022 121.223 0.109 0.000 2.131 580 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 580 L C 2.088 178.974 176.870 0.027 0.000 1.092 580 L CA 0.965 55.842 54.840 0.062 0.000 0.759 580 L CB -0.207 41.887 42.059 0.058 0.000 0.903 580 L HN 0.345 nan 8.230 nan 0.000 0.435 581 I N -1.219 119.363 120.570 0.020 0.000 2.400 581 I HA -0.158 4.011 4.170 -0.001 0.000 0.248 581 I C 2.162 178.286 176.117 0.012 0.000 1.109 581 I CA 1.616 62.873 61.300 -0.073 0.000 1.425 581 I CB -0.133 37.665 38.000 -0.336 0.000 1.094 581 I HN 0.303 nan 8.210 nan 0.000 0.425 582 T N -3.062 111.548 114.554 0.094 0.000 3.040 582 T HA 0.348 4.697 4.350 -0.001 0.000 0.266 582 T C 1.455 176.220 174.700 0.110 0.000 1.005 582 T CA 0.363 62.540 62.100 0.129 0.000 0.906 582 T CB 0.785 69.780 68.868 0.212 0.000 1.082 582 T HN 0.451 nan 8.240 nan 0.000 0.531 583 G N 1.561 110.417 108.800 0.093 0.000 2.168 583 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.263 583 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.263 583 G C -0.172 174.781 174.900 0.088 0.000 0.977 583 G CA 0.766 45.912 45.100 0.077 0.000 0.659 583 G HN 1.096 nan 8.290 nan 0.000 0.533 584 Q N -2.092 117.780 119.800 0.119 0.000 2.590 584 Q HA 0.759 5.098 4.340 -0.001 0.000 0.295 584 Q C -2.784 173.316 176.000 0.165 0.000 0.973 584 Q CA -1.213 54.664 55.803 0.123 0.000 0.768 584 Q CB 1.526 30.334 28.738 0.116 0.000 1.479 584 Q HN 0.082 nan 8.270 nan 0.000 0.419 585 P HA 0.187 nan 4.420 nan 0.000 0.268 585 P C -0.767 176.665 177.300 0.220 0.000 1.248 585 P CA 0.248 63.431 63.100 0.139 0.000 0.851 585 P CB 0.529 32.250 31.700 0.035 0.000 1.238 586 N N 0.373 119.227 118.700 0.256 0.000 2.472 586 N HA 0.322 5.061 4.740 -0.001 0.000 0.289 586 N C 0.229 175.976 175.510 0.396 0.000 1.156 586 N CA -0.647 52.598 53.050 0.324 0.000 0.940 586 N CB 0.752 39.368 38.487 0.214 0.000 1.200 586 N HN -0.068 nan 8.380 nan 0.000 0.511 587 M N 0.676 120.538 119.600 0.437 0.000 2.188 587 M HA 0.180 4.659 4.480 -0.001 0.000 0.354 587 M C 0.287 176.702 176.300 0.192 0.000 1.342 587 M CA 0.265 55.729 55.300 0.273 0.000 1.117 587 M CB 0.633 33.367 32.600 0.225 0.000 1.670 587 M HN 0.387 nan 8.290 nan 0.000 0.466 588 S N 1.484 117.264 115.700 0.133 0.000 2.540 588 S HA 0.669 5.138 4.470 -0.001 0.000 0.275 588 S C 0.172 174.814 174.600 0.069 0.000 1.123 588 S CA -0.473 57.791 58.200 0.108 0.000 0.907 588 S CB 1.785 65.053 63.200 0.113 0.000 1.081 588 S HN 0.740 nan 8.310 nan 0.000 0.476 589 A N 2.720 125.574 122.820 0.057 0.000 2.238 589 A HA 0.168 4.487 4.320 -0.001 0.000 0.208 589 A C 2.005 179.612 177.584 0.039 0.000 1.177 589 A CA 1.022 53.077 52.037 0.030 0.000 0.804 589 A CB -0.818 18.191 19.000 0.015 0.000 0.823 589 A HN 1.255 nan 8.150 nan 0.000 0.482 590 S N 0.385 116.121 115.700 0.059 0.000 2.382 590 S HA -0.060 4.409 4.470 -0.001 0.000 0.228 590 S C 2.042 176.685 174.600 0.073 0.000 1.027 590 S CA 1.216 59.455 58.200 0.064 0.000 0.991 590 S CB -0.601 62.642 63.200 0.071 0.000 0.823 590 S HN 0.823 nan 8.310 nan 0.000 0.469 591 A N 1.666 124.539 122.820 0.089 0.000 1.972 591 A HA 0.095 4.414 4.320 -0.001 0.000 0.219 591 A C 2.307 179.948 177.584 0.095 0.000 1.169 591 A CA 1.583 53.694 52.037 0.124 0.000 0.635 591 A CB -0.716 18.379 19.000 0.157 0.000 0.810 591 A HN 0.640 nan 8.150 nan 0.000 0.446 592 M N -0.757 118.840 119.600 -0.006 0.000 2.200 592 M HA 0.003 4.482 4.480 -0.001 0.000 0.265 592 M C 1.800 178.042 176.300 -0.096 0.000 1.066 592 M CA 1.332 56.455 55.300 -0.295 0.000 1.127 592 M CB -0.173 32.266 32.600 -0.268 0.000 1.379 592 M HN 0.406 nan 8.290 nan 0.000 0.420 593 L N -0.949 120.285 121.223 0.018 0.000 2.093 593 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 593 L C 2.680 179.607 176.870 0.095 0.000 1.085 593 L CA 1.340 56.226 54.840 0.077 0.000 0.755 593 L CB -0.744 41.348 42.059 0.056 0.000 0.904 593 L HN 0.408 nan 8.230 nan 0.000 0.435 594 S N -0.522 115.229 115.700 0.084 0.000 2.356 594 S HA -0.288 4.181 4.470 -0.001 0.000 0.223 594 S C 2.103 176.761 174.600 0.097 0.000 1.032 594 S CA 1.272 59.530 58.200 0.096 0.000 1.005 594 S CB -0.447 62.817 63.200 0.107 0.000 0.867 594 S HN 0.463 nan 8.310 nan 0.000 0.449 595 Y N 0.608 120.859 120.300 -0.081 0.000 2.165 595 Y HA -0.114 4.436 4.550 -0.001 0.000 0.286 595 Y C 1.513 177.195 175.900 -0.362 0.000 1.155 595 Y CA 2.148 60.118 58.100 -0.217 0.000 1.164 595 Y CB -0.346 37.831 38.460 -0.472 0.000 0.978 595 Y HN 0.404 nan 8.280 nan 0.000 0.513 596 F N -0.372 119.629 119.950 0.084 0.000 2.727 596 F HA 0.124 4.651 4.527 -0.001 0.000 0.302 596 F C 2.017 177.799 175.800 -0.030 0.000 1.097 596 F CA 0.136 58.128 58.000 -0.013 0.000 1.330 596 F CB -0.014 38.975 39.000 -0.018 0.000 1.084 596 F HN -0.085 nan 8.300 nan 0.000 0.578 597 K N 2.165 122.641 120.400 0.126 0.000 2.059 597 K HA -0.184 4.135 4.320 -0.001 0.000 0.212 597 K C -1.077 175.574 176.600 0.087 0.000 1.050 597 K CA 2.023 58.369 56.287 0.099 0.000 0.927 597 K CB -1.490 31.058 32.500 0.081 0.000 0.714 597 K HN 0.055 nan 8.250 nan 0.000 0.447 598 P HA -0.108 nan 4.420 nan 0.000 0.220 598 P C 1.174 178.531 177.300 0.095 0.000 1.148 598 P CA 0.832 63.967 63.100 0.058 0.000 0.803 598 P CB 0.030 31.724 31.700 -0.009 0.000 0.782 599 L N -1.012 120.263 121.223 0.087 0.000 2.095 599 L HA -0.013 4.326 4.340 -0.001 0.000 0.204 599 L C 2.127 179.094 176.870 0.161 0.000 1.080 599 L CA 1.348 56.264 54.840 0.126 0.000 0.759 599 L CB -1.403 40.728 42.059 0.120 0.000 0.914 599 L HN -0.162 nan 8.230 nan 0.000 0.439 600 L N -0.314 120.985 121.223 0.126 0.000 2.079 600 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 600 L C 1.945 178.869 176.870 0.090 0.000 1.081 600 L CA 1.973 56.867 54.840 0.091 0.000 0.752 600 L CB -0.856 41.249 42.059 0.076 0.000 0.896 600 L HN 0.330 nan 8.230 nan 0.000 0.433 601 D N -1.564 118.902 120.400 0.111 0.000 2.117 601 D HA -0.232 4.408 4.640 -0.001 0.000 0.198 601 D C 1.774 178.144 176.300 0.116 0.000 0.982 601 D CA 1.454 55.512 54.000 0.097 0.000 0.828 601 D CB -0.487 40.375 40.800 0.103 0.000 0.967 601 D HN 0.580 nan 8.370 nan 0.000 0.464 602 W N 1.473 122.770 121.300 -0.006 0.000 2.381 602 W HA -0.046 4.613 4.660 -0.001 0.000 0.301 602 W C 2.048 178.524 176.519 -0.072 0.000 1.205 602 W CA 0.907 58.241 57.345 -0.018 0.000 1.285 602 W CB -0.290 29.168 29.460 -0.004 0.000 1.133 602 W HN -0.118 nan 8.180 nan 0.000 0.521 603 L N 0.279 121.599 121.223 0.161 0.000 2.046 603 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 603 L C 2.744 179.548 176.870 -0.111 0.000 1.077 603 L CA 1.536 56.360 54.840 -0.026 0.000 0.747 603 L CB -0.795 41.294 42.059 0.051 0.000 0.896 603 L HN -0.074 nan 8.230 nan 0.000 0.432 604 R N -0.848 119.616 120.500 -0.060 0.000 2.081 604 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 604 R C 2.293 178.527 176.300 -0.110 0.000 1.131 604 R CA 1.919 57.983 56.100 -0.060 0.000 0.960 604 R CB -0.498 29.787 30.300 -0.026 0.000 0.856 604 R HN 0.345 nan 8.270 nan 0.000 0.436 605 T N 0.519 114.974 114.554 -0.165 0.000 2.708 605 T HA -0.178 4.171 4.350 -0.001 0.000 0.266 605 T C 1.653 176.190 174.700 -0.272 0.000 1.037 605 T CA 1.665 63.643 62.100 -0.202 0.000 1.146 605 T CB -0.193 68.542 68.868 -0.222 0.000 0.865 605 T HN 0.280 nan 8.240 nan 0.000 0.435 606 E N 1.533 121.454 120.200 -0.465 0.000 2.077 606 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 606 E C 2.093 178.653 176.600 -0.066 0.000 0.989 606 E CA 1.232 57.370 56.400 -0.435 0.000 0.800 606 E CB -0.288 28.795 29.700 -1.027 0.000 0.746 606 E HN 0.266 nan 8.360 nan 0.000 0.452 607 N N 0.539 119.198 118.700 -0.068 0.000 2.171 607 N HA -0.160 4.579 4.740 -0.001 0.000 0.184 607 N C 1.643 177.160 175.510 0.012 0.000 1.021 607 N CA 1.293 54.361 53.050 0.030 0.000 0.854 607 N CB -0.372 38.130 38.487 0.024 0.000 0.994 607 N HN 0.405 nan 8.380 nan 0.000 0.426 608 E N 0.922 121.098 120.200 -0.041 0.000 2.118 608 E HA -0.178 4.171 4.350 -0.001 0.000 0.195 608 E C 1.860 178.416 176.600 -0.074 0.000 0.992 608 E CA 0.921 57.291 56.400 -0.051 0.000 0.804 608 E CB -0.001 29.662 29.700 -0.062 0.000 0.741 608 E HN 0.350 nan 8.360 nan 0.000 0.458 609 L N -1.879 119.274 121.223 -0.117 0.000 2.395 609 L HA 0.060 4.400 4.340 -0.001 0.000 0.218 609 L C 1.492 178.182 176.870 -0.299 0.000 1.130 609 L CA 1.489 56.207 54.840 -0.203 0.000 0.826 609 L CB -0.297 41.608 42.059 -0.256 0.000 0.941 609 L HN 0.004 nan 8.230 nan 0.000 0.451 610 H N 0.536 119.559 119.070 -0.079 0.000 2.575 610 H HA 0.431 4.986 4.556 -0.001 0.000 0.267 610 H C 1.377 176.664 175.328 -0.068 0.000 0.966 610 H CA 0.372 56.378 56.048 -0.071 0.000 1.165 610 H CB 0.337 30.059 29.762 -0.068 0.000 1.433 610 H HN 0.478 nan 8.280 nan 0.000 0.544 611 G N 1.495 110.305 108.800 0.017 0.000 2.272 611 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.280 611 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.280 611 G C -0.521 174.377 174.900 -0.003 0.000 1.067 611 G CA -0.164 44.931 45.100 -0.009 0.000 0.902 611 G HN 0.317 nan 8.290 nan 0.000 0.500 612 E N -0.100 120.108 120.200 0.012 0.000 2.290 612 E HA 0.277 4.626 4.350 -0.001 0.000 0.277 612 E C 0.589 177.190 176.600 0.002 0.000 1.035 612 E CA -0.516 55.888 56.400 0.006 0.000 0.873 612 E CB 1.288 31.004 29.700 0.026 0.000 1.029 612 E HN 0.420 nan 8.360 nan 0.000 0.419 613 K N 3.697 124.095 120.400 -0.002 0.000 2.378 613 K HA 0.105 4.424 4.320 -0.001 0.000 0.288 613 K C -0.416 176.194 176.600 0.017 0.000 1.057 613 K CA -0.128 56.158 56.287 -0.002 0.000 0.971 613 K CB 0.059 32.557 32.500 -0.004 0.000 0.975 613 K HN 0.417 nan 8.250 nan 0.000 0.475 614 L N 5.213 126.433 121.223 -0.006 0.000 2.418 614 L HA 0.336 4.676 4.340 -0.001 0.000 0.274 614 L C 0.982 177.800 176.870 -0.087 0.000 1.135 614 L CA 0.809 55.642 54.840 -0.011 0.000 0.870 614 L CB 0.033 42.071 42.059 -0.034 0.000 1.154 614 L HN 1.066 nan 8.230 nan 0.000 0.462 615 G N 3.441 112.198 108.800 -0.072 0.000 2.548 615 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.208 615 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.208 615 G C -1.298 173.611 174.900 0.014 0.000 1.308 615 G CA -0.122 44.734 45.100 -0.407 0.000 0.924 615 G HN 0.862 nan 8.290 nan 0.000 0.540 616 W N -1.555 119.786 121.300 0.068 0.000 1.809 616 W HA 0.625 5.285 4.660 -0.002 0.000 0.298 616 W C -1.542 175.083 176.519 0.177 0.000 0.905 616 W CA -1.402 56.019 57.345 0.126 0.000 1.872 616 W CB 0.716 30.278 29.460 0.171 0.000 2.092 616 W HN 0.515 nan 8.180 nan 0.000 0.403 617 P HA -0.205 nan 4.420 nan 0.000 0.218 617 P C 0.333 177.764 177.300 0.217 0.000 1.148 617 P CA 1.629 64.822 63.100 0.155 0.000 0.822 617 P CB 0.410 32.148 31.700 0.063 0.000 0.784 618 Q N -0.018 119.880 119.800 0.163 0.000 3.181 618 Q HA 0.052 4.391 4.340 -0.001 0.000 0.293 618 Q C 0.848 176.967 176.000 0.199 0.000 1.406 618 Q CA -0.393 55.461 55.803 0.086 0.000 1.026 618 Q CB -0.436 28.342 28.738 0.067 0.000 1.630 618 Q HN 0.449 nan 8.270 nan 0.000 0.553 619 Y N -0.749 119.720 120.300 0.281 0.000 2.293 619 Y HA -0.091 4.458 4.550 -0.001 0.000 0.291 619 Y C 0.979 177.038 175.900 0.266 0.000 1.137 619 Y CA 1.059 59.371 58.100 0.353 0.000 1.202 619 Y CB -0.328 38.359 38.460 0.378 0.000 0.990 619 Y HN 0.264 nan 8.280 nan 0.000 0.537 620 N N -0.654 117.984 118.700 -0.102 0.000 2.573 620 N HA -0.110 4.629 4.740 -0.001 0.000 0.187 620 N C -0.176 175.384 175.510 0.083 0.000 1.107 620 N CA 0.350 53.398 53.050 -0.004 0.000 0.918 620 N CB -0.205 38.188 38.487 -0.158 0.000 0.966 620 N HN 0.472 nan 8.380 nan 0.000 0.448 621 W N 2.716 124.005 121.300 -0.017 0.000 2.264 621 W HA 0.017 4.676 4.660 -0.002 0.000 0.331 621 W C -0.073 176.444 176.519 -0.003 0.000 1.364 621 W CA 0.050 57.393 57.345 -0.004 0.000 1.253 621 W CB 0.425 29.897 29.460 0.020 0.000 1.215 621 W HN -0.132 nan 8.180 nan 0.000 0.561 622 T N 6.072 120.098 114.554 -0.879 0.000 2.886 622 T HA 0.529 4.878 4.350 -0.001 0.000 0.292 622 T C -2.300 171.557 174.700 -1.405 0.000 1.012 622 T CA -1.797 59.743 62.100 -0.933 0.000 0.982 622 T CB 1.677 70.258 68.868 -0.478 0.000 1.018 622 T HN 0.331 nan 8.240 nan 0.000 0.451 623 P HA 0.000 nan 4.420 nan 0.000 0.216 623 P CA 0.000 62.652 63.100 -0.747 0.000 0.800 623 P CB 0.000 31.551 31.700 -0.249 0.000 0.726