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 1o86_1_A DATA FIRST_RESID 40 DATA SEQUENCE DEAEASKFVE EYDRTSQVVW NEYAEANWNY NTNITTETSK ILLQKNMQIA DATA SEQUENCE NHTLKYGTQA RKFDVNQLQN TTIKRIIKKV QDLERAALPA QELEEYNKIL DATA SEQUENCE LDMETTYSVA TVcHPNGScL QLEPDLTNVM ATSRKYEDLL WAWEGWRDKA DATA SEQUENCE GRAILQFYPK YVELINQAAR LNGYVDAGDS WRSMYETPSL EQDLERLFQE DATA SEQUENCE LQPLYLNLHA YVRRALHRHY GAQHINLEGP IPAHLLGNMW AQTWSNIYDL DATA SEQUENCE VVPFPSAPSM DTTEAMLKQG WTPRRMFKEA DDFFTSLGLL PVPPEFWNKS DATA SEQUENCE MLEKPTDGRE VVcHASAWDF YNGKDFRIKQ cTTVNLEDLV VAHHEMGHIQ DATA SEQUENCE YFMQYKDLPV ALREGANPGF HEAIGDVLAL SVSTPKHLHS LNLLSXXXXS DATA SEQUENCE DEHDINFLMK MALDKIAFIP FSYLVDQWRW RVFDGSITKE NYNQEWWSLR DATA SEQUENCE LKYQGLCPPV PRTQGDFDPG AKFHIPSSVP YIRYFVSFII QFQFHEALcQ DATA SEQUENCE AAGHTGPLHK cDIYQSKEAG QRLATAMKLG FSRPWPEAMQ LITGQPNMSA DATA SEQUENCE SAMLSYFKPL LDWLRTENEL HGEKLGWPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 40 D HA 0.000 nan 4.640 nan 0.000 0.175 40 D C 0.000 176.388 176.300 0.147 0.000 2.045 40 D CA 0.000 54.057 54.000 0.095 0.000 0.868 40 D CB 0.000 40.840 40.800 0.066 0.000 0.688 41 E N 0.780 121.035 120.200 0.092 0.000 2.150 41 E HA 0.223 4.572 4.350 -0.001 0.000 0.193 41 E C 2.251 178.895 176.600 0.074 0.000 0.985 41 E CA 2.088 58.531 56.400 0.072 0.000 0.814 41 E CB -0.085 29.640 29.700 0.042 0.000 0.752 41 E HN 0.687 nan 8.360 nan 0.000 0.466 42 A N 0.428 123.294 122.820 0.077 0.000 1.930 42 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 42 A C 2.078 179.729 177.584 0.112 0.000 1.175 42 A CA 1.496 53.578 52.037 0.075 0.000 0.627 42 A CB -0.467 18.569 19.000 0.061 0.000 0.815 42 A HN 0.290 nan 8.150 nan 0.000 0.443 43 E N -0.402 119.894 120.200 0.160 0.000 2.150 43 E HA -0.090 4.260 4.350 -0.001 0.000 0.193 43 E C 2.232 179.019 176.600 0.313 0.000 0.985 43 E CA 0.768 57.315 56.400 0.246 0.000 0.814 43 E CB -0.183 29.678 29.700 0.269 0.000 0.752 43 E HN 0.620 nan 8.360 nan 0.000 0.466 44 A N 0.933 123.873 122.820 0.200 0.000 1.855 44 A HA -0.195 4.124 4.320 -0.001 0.000 0.215 44 A C 2.299 179.878 177.584 -0.008 0.000 1.191 44 A CA 1.937 53.904 52.037 -0.118 0.000 0.613 44 A CB -0.683 18.206 19.000 -0.184 0.000 0.829 44 A HN 0.365 nan 8.150 nan 0.000 0.442 45 S N -0.053 115.667 115.700 0.033 0.000 2.402 45 S HA -0.187 4.282 4.470 -0.001 0.000 0.229 45 S C 1.923 176.560 174.600 0.063 0.000 1.021 45 S CA 1.559 59.779 58.200 0.035 0.000 0.974 45 S CB -0.326 62.891 63.200 0.028 0.000 0.800 45 S HN 0.633 nan 8.310 nan 0.000 0.484 46 K N 0.258 120.720 120.400 0.104 0.000 2.057 46 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 46 K C 1.964 178.659 176.600 0.159 0.000 1.050 46 K CA 1.242 57.600 56.287 0.118 0.000 0.935 46 K CB -0.393 32.189 32.500 0.137 0.000 0.715 46 K HN 0.390 nan 8.250 nan 0.000 0.439 47 F N 1.405 121.400 119.950 0.074 0.000 2.102 47 F HA -0.201 4.325 4.527 -0.001 0.000 0.298 47 F C 1.792 177.652 175.800 0.100 0.000 1.105 47 F CA 1.324 59.393 58.000 0.114 0.000 1.239 47 F CB -0.500 38.529 39.000 0.048 0.000 0.991 47 F HN -0.198 nan 8.300 nan 0.000 0.474 48 V N 0.897 120.791 119.914 -0.034 0.000 2.332 48 V HA -0.324 3.795 4.120 -0.001 0.000 0.248 48 V C 2.302 178.336 176.094 -0.100 0.000 1.055 48 V CA 2.440 64.675 62.300 -0.108 0.000 1.038 48 V CB -0.712 31.105 31.823 -0.011 0.000 0.651 48 V HN 0.408 nan 8.190 nan 0.000 0.450 49 E N -0.297 119.870 120.200 -0.054 0.000 2.051 49 E HA -0.249 4.100 4.350 -0.001 0.000 0.192 49 E C 2.222 178.765 176.600 -0.095 0.000 0.991 49 E CA 1.534 57.901 56.400 -0.057 0.000 0.799 49 E CB -0.181 29.509 29.700 -0.016 0.000 0.748 49 E HN 0.695 nan 8.360 nan 0.000 0.449 50 E N 0.147 120.306 120.200 -0.069 0.000 2.077 50 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 50 E C 1.943 178.405 176.600 -0.229 0.000 0.989 50 E CA 0.963 57.333 56.400 -0.050 0.000 0.800 50 E CB -0.215 29.554 29.700 0.115 0.000 0.746 50 E HN 0.280 nan 8.360 nan 0.000 0.452 51 Y N 2.147 122.128 120.300 -0.531 0.000 2.128 51 Y HA -0.271 4.279 4.550 -0.001 0.000 0.284 51 Y C 1.941 177.495 175.900 -0.577 0.000 1.154 51 Y CA 2.090 59.693 58.100 -0.829 0.000 1.149 51 Y CB -0.298 37.654 38.460 -0.847 0.000 0.976 51 Y HN -0.015 nan 8.280 nan 0.000 0.505 52 D N -0.543 119.576 120.400 -0.469 0.000 2.097 52 D HA -0.211 4.429 4.640 -0.001 0.000 0.195 52 D C 2.279 178.298 176.300 -0.470 0.000 0.989 52 D CA 2.058 55.764 54.000 -0.490 0.000 0.827 52 D CB -0.204 40.454 40.800 -0.236 0.000 0.966 52 D HN 0.543 nan 8.370 nan 0.000 0.456 53 R N -0.384 119.922 120.500 -0.322 0.000 2.092 53 R HA -0.069 4.270 4.340 -0.001 0.000 0.231 53 R C 2.182 178.301 176.300 -0.302 0.000 1.119 53 R CA 1.809 57.758 56.100 -0.252 0.000 0.970 53 R CB -1.286 28.925 30.300 -0.147 0.000 0.864 53 R HN 0.261 nan 8.270 nan 0.000 0.440 54 T N -1.706 112.634 114.554 -0.356 0.000 2.942 54 T HA 0.066 4.415 4.350 -0.001 0.000 0.265 54 T C 2.041 176.378 174.700 -0.604 0.000 1.062 54 T CA 1.102 63.002 62.100 -0.333 0.000 1.139 54 T CB -0.140 68.624 68.868 -0.173 0.000 0.883 54 T HN 0.195 nan 8.240 nan 0.000 0.468 55 S N 1.811 116.974 115.700 -0.895 0.000 2.368 55 S HA -0.122 4.348 4.470 -0.001 0.000 0.224 55 S C 2.262 176.191 174.600 -1.118 0.000 1.029 55 S CA 1.161 58.534 58.200 -1.379 0.000 0.988 55 S CB -0.437 61.632 63.200 -1.886 0.000 0.838 55 S HN 0.611 nan 8.310 nan 0.000 0.462 56 Q N 0.398 119.757 119.800 -0.734 0.000 2.112 56 Q HA -0.130 4.210 4.340 -0.001 0.000 0.206 56 Q C 2.292 178.158 176.000 -0.223 0.000 0.987 56 Q CA 1.636 57.205 55.803 -0.390 0.000 0.858 56 Q CB -0.442 28.150 28.738 -0.243 0.000 0.905 56 Q HN 0.393 nan 8.270 nan 0.000 0.420 57 V N 0.048 119.820 119.914 -0.237 0.000 2.270 57 V HA -0.211 3.908 4.120 -0.001 0.000 0.245 57 V C 2.137 178.177 176.094 -0.090 0.000 1.043 57 V CA 1.625 63.849 62.300 -0.127 0.000 1.014 57 V CB -0.648 31.103 31.823 -0.119 0.000 0.645 57 V HN 0.283 nan 8.190 nan 0.000 0.447 58 V N -0.826 118.977 119.914 -0.185 0.000 2.343 58 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 58 V C 2.188 178.348 176.094 0.110 0.000 1.051 58 V CA 2.138 64.390 62.300 -0.080 0.000 1.036 58 V CB -0.452 31.217 31.823 -0.257 0.000 0.654 58 V HN 0.683 nan 8.190 nan 0.000 0.451 59 W N 0.640 121.755 121.300 -0.309 0.000 2.388 59 W HA -0.054 4.606 4.660 -0.001 0.000 0.294 59 W C 2.583 179.068 176.519 -0.057 0.000 1.212 59 W CA 1.160 58.306 57.345 -0.331 0.000 1.271 59 W CB -1.358 27.590 29.460 -0.854 0.000 1.126 59 W HN 0.394 nan 8.180 nan 0.000 0.535 60 N N 1.041 119.878 118.700 0.228 0.000 2.120 60 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 60 N C 1.428 177.082 175.510 0.239 0.000 1.024 60 N CA 1.655 54.870 53.050 0.274 0.000 0.852 60 N CB -0.200 38.392 38.487 0.174 0.000 1.003 60 N HN 0.269 nan 8.380 nan 0.000 0.424 61 E N -0.848 119.455 120.200 0.172 0.000 2.106 61 E HA -0.192 4.157 4.350 -0.001 0.000 0.192 61 E C 1.714 178.420 176.600 0.177 0.000 0.984 61 E CA 0.866 57.357 56.400 0.150 0.000 0.806 61 E CB -0.194 29.572 29.700 0.109 0.000 0.750 61 E HN 0.425 nan 8.360 nan 0.000 0.458 62 Y N 0.933 121.286 120.300 0.087 0.000 2.200 62 Y HA -0.181 4.368 4.550 -0.001 0.000 0.290 62 Y C 2.087 178.062 175.900 0.126 0.000 1.137 62 Y CA 1.344 59.484 58.100 0.067 0.000 1.163 62 Y CB -0.397 38.050 38.460 -0.022 0.000 0.988 62 Y HN 0.000 nan 8.280 nan 0.000 0.518 63 A N 0.495 123.390 122.820 0.124 0.000 1.940 63 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 63 A C 2.165 179.860 177.584 0.185 0.000 1.176 63 A CA 2.499 54.565 52.037 0.048 0.000 0.631 63 A CB -1.451 17.484 19.000 -0.108 0.000 0.814 63 A HN 0.609 nan 8.150 nan 0.000 0.446 64 E N -0.363 120.003 120.200 0.278 0.000 2.031 64 E HA 0.018 4.368 4.350 -0.001 0.000 0.193 64 E C 2.352 179.079 176.600 0.212 0.000 0.994 64 E CA 2.039 58.628 56.400 0.314 0.000 0.800 64 E CB -1.221 28.595 29.700 0.195 0.000 0.752 64 E HN 1.046 nan 8.360 nan 0.000 0.447 65 A N 1.005 123.872 122.820 0.078 0.000 1.933 65 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 65 A C 2.235 179.834 177.584 0.025 0.000 1.175 65 A CA 2.074 54.131 52.037 0.033 0.000 0.628 65 A CB -0.532 18.453 19.000 -0.025 0.000 0.814 65 A HN 0.489 nan 8.150 nan 0.000 0.444 66 N N -0.933 117.715 118.700 -0.086 0.000 2.188 66 N HA -0.172 4.567 4.740 -0.001 0.000 0.184 66 N C 1.588 177.264 175.510 0.276 0.000 1.018 66 N CA 1.598 54.672 53.050 0.039 0.000 0.858 66 N CB -0.404 38.014 38.487 -0.115 0.000 0.989 66 N HN 0.714 nan 8.380 nan 0.000 0.426 67 W N 1.441 122.752 121.300 0.018 0.000 2.355 67 W HA -0.105 4.554 4.660 -0.001 0.000 0.309 67 W C 1.102 177.521 176.519 -0.167 0.000 1.206 67 W CA 1.160 58.306 57.345 -0.332 0.000 1.284 67 W CB -0.648 28.674 29.460 -0.229 0.000 1.145 67 W HN 0.081 nan 8.180 nan 0.000 0.502 68 N N 0.160 118.959 118.700 0.165 0.000 2.205 68 N HA -0.246 4.493 4.740 -0.001 0.000 0.186 68 N C 1.456 176.959 175.510 -0.011 0.000 1.015 68 N CA 1.831 54.925 53.050 0.073 0.000 0.862 68 N CB -1.309 37.260 38.487 0.136 0.000 0.986 68 N HN 0.296 nan 8.380 nan 0.000 0.429 69 Y N 1.763 122.024 120.300 -0.065 0.000 2.184 69 Y HA 0.057 4.607 4.550 -0.001 0.000 0.290 69 Y C 1.957 177.799 175.900 -0.096 0.000 1.129 69 Y CA 1.243 59.309 58.100 -0.056 0.000 1.144 69 Y CB -0.497 37.952 38.460 -0.018 0.000 0.995 69 Y HN 0.064 nan 8.280 nan 0.000 0.513 70 N N -0.641 117.926 118.700 -0.222 0.000 2.223 70 N HA -0.141 4.598 4.740 -0.001 0.000 0.185 70 N C 1.290 176.527 175.510 -0.455 0.000 1.016 70 N CA 1.919 54.788 53.050 -0.301 0.000 0.863 70 N CB -0.200 38.212 38.487 -0.125 0.000 0.983 70 N HN 0.514 nan 8.380 nan 0.000 0.429 71 T N -2.957 111.251 114.554 -0.577 0.000 3.105 71 T HA 0.152 4.501 4.350 -0.001 0.000 0.253 71 T C 0.205 174.719 174.700 -0.311 0.000 1.047 71 T CA -0.298 61.489 62.100 -0.522 0.000 0.944 71 T CB 0.117 68.541 68.868 -0.740 0.000 1.016 71 T HN -0.060 nan 8.240 nan 0.000 0.544 72 N N 0.894 119.420 118.700 -0.290 0.000 3.304 72 N HA 0.156 4.896 4.740 -0.001 0.000 0.187 72 N C -1.343 174.036 175.510 -0.218 0.000 1.482 72 N CA -0.423 52.513 53.050 -0.190 0.000 0.785 72 N CB -0.101 38.324 38.487 -0.103 0.000 1.619 72 N HN 0.354 nan 8.380 nan 0.000 0.624 73 I N 2.296 122.674 120.570 -0.320 0.000 2.574 73 I HA 0.083 4.253 4.170 -0.001 0.000 0.291 73 I C 0.634 176.720 176.117 -0.052 0.000 1.131 73 I CA 0.429 61.502 61.300 -0.378 0.000 1.352 73 I CB -0.159 37.620 38.000 -0.368 0.000 1.431 73 I HN 0.458 nan 8.210 nan 0.000 0.543 74 T N -0.089 114.528 114.554 0.105 0.000 2.883 74 T HA 0.161 4.510 4.350 -0.001 0.000 0.296 74 T C 0.658 175.458 174.700 0.166 0.000 1.117 74 T CA -0.582 61.584 62.100 0.109 0.000 1.006 74 T CB 1.883 70.791 68.868 0.068 0.000 1.191 74 T HN 0.408 nan 8.240 nan 0.000 0.508 75 T N -0.059 114.557 114.554 0.103 0.000 2.833 75 T HA -0.083 4.266 4.350 -0.001 0.000 0.269 75 T C 1.311 176.049 174.700 0.064 0.000 1.054 75 T CA 2.200 64.347 62.100 0.080 0.000 1.135 75 T CB -0.577 68.323 68.868 0.053 0.000 0.869 75 T HN 0.732 nan 8.240 nan 0.000 0.466 76 E N 0.941 121.181 120.200 0.067 0.000 2.028 76 E HA -0.057 4.292 4.350 -0.001 0.000 0.191 76 E C 2.640 179.280 176.600 0.066 0.000 0.988 76 E CA 1.858 58.291 56.400 0.055 0.000 0.799 76 E CB -0.753 28.976 29.700 0.049 0.000 0.755 76 E HN 0.700 nan 8.360 nan 0.000 0.447 77 T N -1.353 113.270 114.554 0.115 0.000 2.833 77 T HA -0.113 4.236 4.350 -0.001 0.000 0.269 77 T C 2.123 176.876 174.700 0.088 0.000 1.054 77 T CA 1.380 63.574 62.100 0.156 0.000 1.135 77 T CB -0.398 68.627 68.868 0.262 0.000 0.869 77 T HN -0.051 nan 8.240 nan 0.000 0.466 78 S N 1.351 117.069 115.700 0.030 0.000 2.348 78 S HA -0.057 4.413 4.470 -0.001 0.000 0.221 78 S C 2.028 176.520 174.600 -0.181 0.000 1.033 78 S CA 1.408 59.418 58.200 -0.317 0.000 1.010 78 S CB -0.381 62.701 63.200 -0.197 0.000 0.891 78 S HN 0.620 nan 8.310 nan 0.000 0.442 79 K N 0.765 121.126 120.400 -0.065 0.000 2.032 79 K HA -0.062 4.257 4.320 -0.001 0.000 0.209 79 K C 1.956 178.542 176.600 -0.022 0.000 1.048 79 K CA 1.375 57.641 56.287 -0.034 0.000 0.927 79 K CB -0.279 32.219 32.500 -0.003 0.000 0.712 79 K HN 0.320 nan 8.250 nan 0.000 0.441 80 I N 0.857 121.423 120.570 -0.007 0.000 2.286 80 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 80 I C 2.282 178.402 176.117 0.005 0.000 1.115 80 I CA 0.495 61.803 61.300 0.012 0.000 1.392 80 I CB -0.240 37.778 38.000 0.030 0.000 1.065 80 I HN 0.224 nan 8.210 nan 0.000 0.418 81 L N 1.024 122.224 121.223 -0.038 0.000 1.994 81 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 81 L C 2.298 179.170 176.870 0.003 0.000 1.071 81 L CA 1.863 56.673 54.840 -0.050 0.000 0.745 81 L CB -0.602 41.362 42.059 -0.159 0.000 0.892 81 L HN 0.123 nan 8.230 nan 0.000 0.431 82 L N -0.909 120.287 121.223 -0.044 0.000 2.187 82 L HA -0.245 4.094 4.340 -0.001 0.000 0.213 82 L C 2.598 179.487 176.870 0.031 0.000 1.100 82 L CA 1.312 56.144 54.840 -0.012 0.000 0.765 82 L CB -0.558 41.473 42.059 -0.046 0.000 0.904 82 L HN 0.459 nan 8.230 nan 0.000 0.437 83 Q N -0.651 119.169 119.800 0.033 0.000 2.137 83 Q HA -0.130 4.210 4.340 -0.001 0.000 0.198 83 Q C 2.143 178.191 176.000 0.080 0.000 0.960 83 Q CA 0.735 56.566 55.803 0.048 0.000 0.847 83 Q CB 0.045 28.806 28.738 0.039 0.000 0.915 83 Q HN 0.196 nan 8.270 nan 0.000 0.448 84 K N 0.840 121.305 120.400 0.109 0.000 2.211 84 K HA -0.048 4.271 4.320 -0.001 0.000 0.203 84 K C 1.526 178.266 176.600 0.234 0.000 1.050 84 K CA 0.582 56.977 56.287 0.181 0.000 0.945 84 K CB -0.130 32.493 32.500 0.205 0.000 0.732 84 K HN 0.229 nan 8.250 nan 0.000 0.451 85 N N 0.539 119.361 118.700 0.203 0.000 2.058 85 N HA -0.149 4.591 4.740 -0.001 0.000 0.191 85 N C 1.723 177.256 175.510 0.038 0.000 1.037 85 N CA 1.238 54.354 53.050 0.110 0.000 0.848 85 N CB -0.088 38.454 38.487 0.091 0.000 1.021 85 N HN 0.051 nan 8.380 nan 0.000 0.422 86 M N 1.750 121.384 119.600 0.057 0.000 2.149 86 M HA -0.110 4.369 4.480 -0.001 0.000 0.261 86 M C 1.984 178.321 176.300 0.062 0.000 1.064 86 M CA 1.334 56.665 55.300 0.051 0.000 1.102 86 M CB -0.512 32.118 32.600 0.050 0.000 1.369 86 M HN 0.166 nan 8.290 nan 0.000 0.408 87 Q N -0.992 118.854 119.800 0.076 0.000 2.046 87 Q HA -0.135 4.204 4.340 -0.001 0.000 0.200 87 Q C 2.249 178.311 176.000 0.103 0.000 0.975 87 Q CA 1.553 57.410 55.803 0.091 0.000 0.836 87 Q CB -0.333 28.463 28.738 0.097 0.000 0.896 87 Q HN 0.532 nan 8.270 nan 0.000 0.428 88 I N 0.397 121.004 120.570 0.063 0.000 2.546 88 I HA -0.184 3.985 4.170 -0.001 0.000 0.255 88 I C 2.038 178.201 176.117 0.077 0.000 1.163 88 I CA 0.674 61.997 61.300 0.037 0.000 1.457 88 I CB -0.021 37.871 38.000 -0.180 0.000 1.092 88 I HN 0.116 nan 8.210 nan 0.000 0.434 89 A N 0.493 123.334 122.820 0.034 0.000 1.930 89 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 89 A C 2.166 179.812 177.584 0.104 0.000 1.175 89 A CA 1.631 53.699 52.037 0.051 0.000 0.627 89 A CB -0.871 18.146 19.000 0.028 0.000 0.815 89 A HN 0.552 nan 8.150 nan 0.000 0.443 90 N N -0.813 117.955 118.700 0.115 0.000 2.120 90 N HA -0.224 4.516 4.740 -0.001 0.000 0.188 90 N C 1.836 177.453 175.510 0.179 0.000 1.024 90 N CA 1.601 54.724 53.050 0.123 0.000 0.852 90 N CB -0.415 38.140 38.487 0.113 0.000 1.003 90 N HN 0.747 nan 8.380 nan 0.000 0.424 91 H N 0.478 119.638 119.070 0.150 0.000 2.353 91 H HA -0.045 4.511 4.556 -0.001 0.000 0.300 91 H C 1.292 176.816 175.328 0.327 0.000 1.090 91 H CA 1.732 57.926 56.048 0.244 0.000 1.327 91 H CB -0.092 29.784 29.762 0.189 0.000 1.383 91 H HN 0.167 nan 8.280 nan 0.000 0.508 92 T N 2.011 116.745 114.554 0.300 0.000 2.746 92 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 92 T C 2.149 176.950 174.700 0.167 0.000 1.039 92 T CA 1.146 63.404 62.100 0.263 0.000 1.142 92 T CB -0.389 68.610 68.868 0.219 0.000 0.866 92 T HN 0.142 nan 8.240 nan 0.000 0.444 93 L N 1.444 122.739 121.223 0.119 0.000 2.093 93 L HA 0.078 4.417 4.340 -0.001 0.000 0.208 93 L C 2.300 179.201 176.870 0.051 0.000 1.085 93 L CA 1.782 56.666 54.840 0.074 0.000 0.755 93 L CB -0.686 41.405 42.059 0.053 0.000 0.904 93 L HN 0.109 nan 8.230 nan 0.000 0.435 94 K N -1.571 118.852 120.400 0.039 0.000 2.002 94 K HA -0.238 4.081 4.320 -0.001 0.000 0.209 94 K C 2.150 178.679 176.600 -0.120 0.000 1.048 94 K CA 2.129 58.378 56.287 -0.063 0.000 0.930 94 K CB -0.399 32.042 32.500 -0.098 0.000 0.714 94 K HN 0.340 nan 8.250 nan 0.000 0.438 95 Y N -0.113 120.195 120.300 0.014 0.000 2.337 95 Y HA 0.044 4.593 4.550 -0.001 0.000 0.293 95 Y C 2.380 178.405 175.900 0.209 0.000 1.123 95 Y CA 1.126 59.332 58.100 0.176 0.000 1.201 95 Y CB -0.437 38.092 38.460 0.115 0.000 1.011 95 Y HN 0.253 nan 8.280 nan 0.000 0.545 96 G N -0.951 107.982 108.800 0.222 0.000 2.408 96 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.217 96 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.217 96 G C 1.715 176.656 174.900 0.068 0.000 1.150 96 G CA 1.552 46.734 45.100 0.136 0.000 0.776 96 G HN 0.299 nan 8.290 nan 0.000 0.542 97 T N 0.565 115.143 114.554 0.039 0.000 2.777 97 T HA -0.107 4.242 4.350 -0.001 0.000 0.266 97 T C 2.394 177.069 174.700 -0.042 0.000 1.040 97 T CA 1.443 63.536 62.100 -0.011 0.000 1.141 97 T CB -0.168 68.685 68.868 -0.026 0.000 0.868 97 T HN 0.319 nan 8.240 nan 0.000 0.444 98 Q N 0.353 120.134 119.800 -0.032 0.000 2.050 98 Q HA -0.018 4.321 4.340 -0.001 0.000 0.202 98 Q C 2.729 178.614 176.000 -0.192 0.000 0.980 98 Q CA 1.354 57.093 55.803 -0.106 0.000 0.840 98 Q CB -0.296 28.443 28.738 0.002 0.000 0.898 98 Q HN 0.553 nan 8.270 nan 0.000 0.424 99 A N 1.035 123.749 122.820 -0.177 0.000 1.978 99 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 99 A C 1.884 179.467 177.584 -0.003 0.000 1.170 99 A CA 1.307 53.234 52.037 -0.183 0.000 0.636 99 A CB -0.394 18.596 19.000 -0.016 0.000 0.810 99 A HN 0.236 nan 8.150 nan 0.000 0.448 100 R N -0.496 119.988 120.500 -0.027 0.000 2.235 100 R HA -0.019 4.320 4.340 -0.001 0.000 0.213 100 R C 1.580 177.844 176.300 -0.059 0.000 1.059 100 R CA 1.114 57.196 56.100 -0.031 0.000 0.997 100 R CB -0.124 30.154 30.300 -0.037 0.000 0.884 100 R HN 0.495 nan 8.270 nan 0.000 0.462 101 K N -0.326 120.002 120.400 -0.120 0.000 2.418 101 K HA 0.025 4.345 4.320 -0.001 0.000 0.195 101 K C -0.147 176.279 176.600 -0.290 0.000 1.035 101 K CA 0.379 56.530 56.287 -0.227 0.000 1.003 101 K CB 0.212 32.514 32.500 -0.330 0.000 0.793 101 K HN -0.030 nan 8.250 nan 0.000 0.494 102 F N 1.489 121.328 119.950 -0.185 0.000 2.396 102 F HA 0.052 4.579 4.527 -0.001 0.000 0.343 102 F C 0.741 176.476 175.800 -0.109 0.000 1.104 102 F CA -0.903 57.003 58.000 -0.156 0.000 1.161 102 F CB 0.631 39.514 39.000 -0.194 0.000 1.146 102 F HN -0.130 nan 8.300 nan 0.000 0.522 103 D N 3.262 123.717 120.400 0.091 0.000 2.441 103 D HA 0.123 4.763 4.640 -0.001 0.000 0.221 103 D C 0.982 177.316 176.300 0.057 0.000 1.156 103 D CA 0.049 54.072 54.000 0.039 0.000 0.896 103 D CB 1.049 41.853 40.800 0.007 0.000 1.028 103 D HN 0.313 nan 8.370 nan 0.000 0.509 104 V N 4.198 124.136 119.914 0.040 0.000 2.469 104 V HA -0.261 3.859 4.120 -0.001 0.000 0.251 104 V C 2.121 178.219 176.094 0.007 0.000 1.064 104 V CA 1.257 63.566 62.300 0.016 0.000 1.066 104 V CB -0.454 31.368 31.823 -0.002 0.000 0.667 104 V HN 0.591 nan 8.190 nan 0.000 0.461 105 N N 0.156 118.858 118.700 0.004 0.000 2.272 105 N HA -0.162 4.578 4.740 -0.001 0.000 0.185 105 N C 1.696 177.207 175.510 0.002 0.000 1.014 105 N CA 1.049 54.099 53.050 -0.001 0.000 0.870 105 N CB -0.164 38.319 38.487 -0.006 0.000 0.975 105 N HN 0.517 nan 8.380 nan 0.000 0.433 106 Q N 0.063 119.869 119.800 0.011 0.000 2.319 106 Q HA 0.143 4.483 4.340 -0.001 0.000 0.202 106 Q C -0.174 175.838 176.000 0.020 0.000 0.896 106 Q CA -0.179 55.633 55.803 0.014 0.000 0.942 106 Q CB 0.156 28.904 28.738 0.017 0.000 1.083 106 Q HN 0.182 nan 8.270 nan 0.000 0.510 107 L N 1.475 122.708 121.223 0.018 0.000 2.360 107 L HA 0.049 4.388 4.340 -0.001 0.000 0.276 107 L C 1.374 178.245 176.870 0.001 0.000 1.121 107 L CA 0.500 55.347 54.840 0.011 0.000 0.845 107 L CB 1.142 43.197 42.059 -0.007 0.000 1.143 107 L HN -0.005 nan 8.230 nan 0.000 0.452 108 Q N 2.374 122.176 119.800 0.003 0.000 2.008 108 Q HA 0.002 4.341 4.340 -0.001 0.000 0.196 108 Q C 0.574 176.570 176.000 -0.006 0.000 0.973 108 Q CA 1.023 56.825 55.803 -0.000 0.000 0.826 108 Q CB -0.030 28.710 28.738 0.004 0.000 0.894 108 Q HN 0.618 nan 8.270 nan 0.000 0.439 109 N N 0.329 119.025 118.700 -0.007 0.000 2.440 109 N HA -0.078 4.661 4.740 -0.001 0.000 0.265 109 N C 0.524 176.023 175.510 -0.018 0.000 1.239 109 N CA 0.830 53.874 53.050 -0.011 0.000 0.909 109 N CB 1.031 39.512 38.487 -0.010 0.000 1.066 109 N HN 0.408 nan 8.380 nan 0.000 0.474 110 T N 0.457 115.000 114.554 -0.019 0.000 2.821 110 T HA -0.116 4.234 4.350 -0.001 0.000 0.267 110 T C 1.687 176.369 174.700 -0.029 0.000 1.046 110 T CA 1.513 63.597 62.100 -0.025 0.000 1.139 110 T CB -0.340 68.511 68.868 -0.028 0.000 0.871 110 T HN 0.437 nan 8.240 nan 0.000 0.454 111 T N 2.355 116.895 114.554 -0.023 0.000 2.777 111 T HA 0.077 4.426 4.350 -0.001 0.000 0.266 111 T C 1.894 176.582 174.700 -0.020 0.000 1.040 111 T CA 0.955 63.043 62.100 -0.020 0.000 1.141 111 T CB -0.280 68.582 68.868 -0.010 0.000 0.868 111 T HN 0.239 nan 8.240 nan 0.000 0.444 112 I N 1.426 121.982 120.570 -0.024 0.000 2.226 112 I HA -0.099 4.071 4.170 -0.001 0.000 0.245 112 I C 2.401 178.485 176.117 -0.055 0.000 1.100 112 I CA 1.405 62.682 61.300 -0.038 0.000 1.374 112 I CB -0.975 36.997 38.000 -0.047 0.000 1.057 112 I HN 0.273 nan 8.210 nan 0.000 0.413 113 K N 1.013 121.384 120.400 -0.047 0.000 2.057 113 K HA -0.220 4.099 4.320 -0.001 0.000 0.207 113 K C 2.384 178.963 176.600 -0.034 0.000 1.049 113 K CA 1.459 57.719 56.287 -0.046 0.000 0.931 113 K CB -0.043 32.438 32.500 -0.032 0.000 0.714 113 K HN 0.082 nan 8.250 nan 0.000 0.440 114 R N 0.542 121.025 120.500 -0.028 0.000 2.075 114 R HA -0.055 4.284 4.340 -0.001 0.000 0.232 114 R C 2.255 178.561 176.300 0.010 0.000 1.126 114 R CA 1.477 57.566 56.100 -0.019 0.000 0.963 114 R CB -0.191 30.083 30.300 -0.043 0.000 0.858 114 R HN 0.240 nan 8.270 nan 0.000 0.435 115 I N 0.481 121.055 120.570 0.006 0.000 2.202 115 I HA -0.285 3.884 4.170 -0.001 0.000 0.242 115 I C 2.238 178.348 176.117 -0.013 0.000 1.091 115 I CA 1.258 62.569 61.300 0.018 0.000 1.368 115 I CB -0.183 37.825 38.000 0.013 0.000 1.058 115 I HN 0.232 nan 8.210 nan 0.000 0.410 116 I N 1.197 121.748 120.570 -0.032 0.000 2.226 116 I HA -0.321 3.848 4.170 -0.001 0.000 0.245 116 I C 3.119 179.219 176.117 -0.029 0.000 1.100 116 I CA 1.709 62.980 61.300 -0.048 0.000 1.374 116 I CB -0.699 37.198 38.000 -0.172 0.000 1.057 116 I HN 0.211 nan 8.210 nan 0.000 0.413 117 K N 1.260 121.652 120.400 -0.014 0.000 2.063 117 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 117 K C 2.075 178.697 176.600 0.037 0.000 1.048 117 K CA 2.009 58.300 56.287 0.007 0.000 0.928 117 K CB -0.788 31.720 32.500 0.013 0.000 0.713 117 K HN 0.368 nan 8.250 nan 0.000 0.442 118 K N 0.111 120.548 120.400 0.061 0.000 2.097 118 K HA -0.047 4.273 4.320 -0.001 0.000 0.205 118 K C 1.966 178.608 176.600 0.070 0.000 1.050 118 K CA 1.210 57.559 56.287 0.103 0.000 0.938 118 K CB -0.159 32.436 32.500 0.158 0.000 0.718 118 K HN 0.152 nan 8.250 nan 0.000 0.442 119 V N 1.732 121.644 119.914 -0.003 0.000 2.913 119 V HA -0.178 3.941 4.120 -0.001 0.000 0.260 119 V C 1.855 177.963 176.094 0.024 0.000 1.098 119 V CA 1.441 63.706 62.300 -0.059 0.000 1.121 119 V CB -0.448 31.205 31.823 -0.284 0.000 0.714 119 V HN 0.394 nan 8.190 nan 0.000 0.487 120 Q N -0.285 119.531 119.800 0.026 0.000 2.436 120 Q HA -0.081 4.259 4.340 -0.001 0.000 0.209 120 Q C 0.692 176.713 176.000 0.035 0.000 0.965 120 Q CA 0.526 56.343 55.803 0.024 0.000 0.910 120 Q CB -0.017 28.722 28.738 0.001 0.000 0.980 120 Q HN 0.509 nan 8.270 nan 0.000 0.491 121 D N 0.478 120.916 120.400 0.064 0.000 2.380 121 D HA 0.084 4.723 4.640 -0.001 0.000 0.230 121 D C 0.520 176.875 176.300 0.092 0.000 1.154 121 D CA -0.130 53.925 54.000 0.091 0.000 0.859 121 D CB 0.790 41.680 40.800 0.150 0.000 1.045 121 D HN 0.086 nan 8.370 nan 0.000 0.495 122 L N 2.557 123.823 121.223 0.071 0.000 2.492 122 L HA 0.113 4.452 4.340 -0.001 0.000 0.223 122 L C 1.308 178.208 176.870 0.051 0.000 1.132 122 L CA -0.099 54.783 54.840 0.069 0.000 0.850 122 L CB -0.565 41.523 42.059 0.049 0.000 0.966 122 L HN 0.499 nan 8.230 nan 0.000 0.454 123 E N 0.177 120.407 120.200 0.050 0.000 3.303 123 E HA -0.390 3.959 4.350 -0.001 0.000 0.309 123 E C 1.476 178.070 176.600 -0.011 0.000 1.470 123 E CA 1.691 58.107 56.400 0.026 0.000 1.869 123 E CB -0.684 29.029 29.700 0.021 0.000 1.914 123 E HN 0.493 nan 8.360 nan 0.000 0.498 124 R N 1.106 121.601 120.500 -0.008 0.000 2.159 124 R HA -0.021 4.319 4.340 -0.001 0.000 0.237 124 R C 2.056 178.351 176.300 -0.010 0.000 1.131 124 R CA 1.772 57.857 56.100 -0.026 0.000 0.982 124 R CB -0.314 30.058 30.300 0.119 0.000 0.868 124 R HN 0.373 nan 8.270 nan 0.000 0.453 125 A N 1.067 123.893 122.820 0.010 0.000 2.225 125 A HA 0.080 4.399 4.320 -0.001 0.000 0.215 125 A C 2.252 179.842 177.584 0.010 0.000 1.164 125 A CA 1.195 53.245 52.037 0.021 0.000 0.710 125 A CB -0.431 18.594 19.000 0.042 0.000 0.780 125 A HN 0.582 nan 8.150 nan 0.000 0.473 126 A N -0.661 122.154 122.820 -0.009 0.000 2.119 126 A HA 0.355 4.674 4.320 -0.001 0.000 0.216 126 A C 0.930 178.493 177.584 -0.035 0.000 1.152 126 A CA -0.012 52.014 52.037 -0.019 0.000 0.708 126 A CB -0.270 18.714 19.000 -0.025 0.000 0.805 126 A HN 0.447 nan 8.150 nan 0.000 0.460 127 L N 0.801 121.996 121.223 -0.046 0.000 2.426 127 L HA 0.227 4.567 4.340 -0.001 0.000 0.271 127 L C -2.203 174.653 176.870 -0.023 0.000 1.169 127 L CA -1.929 52.880 54.840 -0.052 0.000 0.836 127 L CB 0.352 42.367 42.059 -0.074 0.000 1.112 127 L HN 0.039 nan 8.230 nan 0.000 0.465 128 P HA -0.023 nan 4.420 nan 0.000 0.267 128 P C 0.241 177.543 177.300 0.003 0.000 1.200 128 P CA 0.019 63.114 63.100 -0.010 0.000 0.772 128 P CB 0.764 32.456 31.700 -0.013 0.000 0.855 129 A N 2.599 125.425 122.820 0.009 0.000 1.915 129 A HA -0.339 3.980 4.320 -0.001 0.000 0.220 129 A C 2.209 179.807 177.584 0.024 0.000 1.198 129 A CA 2.346 54.394 52.037 0.019 0.000 0.647 129 A CB -1.515 17.495 19.000 0.018 0.000 0.825 129 A HN 0.705 nan 8.150 nan 0.000 0.456 130 Q N -1.074 118.737 119.800 0.018 0.000 2.030 130 Q HA -0.259 4.080 4.340 -0.001 0.000 0.204 130 Q C 1.965 177.984 176.000 0.031 0.000 0.986 130 Q CA 2.068 57.884 55.803 0.022 0.000 0.843 130 Q CB -0.139 28.608 28.738 0.015 0.000 0.904 130 Q HN 0.684 nan 8.270 nan 0.000 0.420 131 E N 0.270 120.484 120.200 0.023 0.000 2.106 131 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 131 E C 1.708 178.348 176.600 0.067 0.000 0.984 131 E CA 0.742 57.160 56.400 0.030 0.000 0.806 131 E CB -0.202 29.493 29.700 -0.009 0.000 0.750 131 E HN 0.286 nan 8.360 nan 0.000 0.458 132 L N 1.461 122.719 121.223 0.058 0.000 2.017 132 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 132 L C 2.128 179.069 176.870 0.119 0.000 1.073 132 L CA 2.212 57.111 54.840 0.098 0.000 0.745 132 L CB -0.650 41.446 42.059 0.063 0.000 0.894 132 L HN 0.271 nan 8.230 nan 0.000 0.432 133 E N -0.900 119.346 120.200 0.076 0.000 2.106 133 E HA -0.296 4.054 4.350 -0.001 0.000 0.192 133 E C 2.010 178.650 176.600 0.066 0.000 0.984 133 E CA 1.381 57.817 56.400 0.060 0.000 0.806 133 E CB -0.617 29.108 29.700 0.041 0.000 0.750 133 E HN 0.735 nan 8.360 nan 0.000 0.458 134 E N -0.139 120.112 120.200 0.085 0.000 2.072 134 E HA -0.242 4.107 4.350 -0.001 0.000 0.191 134 E C 1.935 178.615 176.600 0.134 0.000 0.985 134 E CA 1.033 57.490 56.400 0.095 0.000 0.801 134 E CB -0.269 29.487 29.700 0.094 0.000 0.750 134 E HN 0.429 nan 8.360 nan 0.000 0.452 135 Y N 1.927 122.242 120.300 0.027 0.000 2.145 135 Y HA -0.193 4.357 4.550 -0.001 0.000 0.286 135 Y C 1.941 177.862 175.900 0.035 0.000 1.145 135 Y CA 1.939 60.062 58.100 0.037 0.000 1.148 135 Y CB -0.378 38.093 38.460 0.017 0.000 0.981 135 Y HN 0.092 nan 8.280 nan 0.000 0.507 136 N N 0.662 119.338 118.700 -0.040 0.000 2.120 136 N HA -0.205 4.535 4.740 -0.001 0.000 0.188 136 N C 1.910 177.330 175.510 -0.149 0.000 1.024 136 N CA 1.629 54.594 53.050 -0.141 0.000 0.852 136 N CB -0.427 38.043 38.487 -0.028 0.000 1.003 136 N HN 0.449 nan 8.380 nan 0.000 0.424 137 K N 0.687 121.040 120.400 -0.079 0.000 2.097 137 K HA -0.019 4.301 4.320 -0.001 0.000 0.205 137 K C 1.880 178.405 176.600 -0.125 0.000 1.050 137 K CA 0.546 56.784 56.287 -0.081 0.000 0.938 137 K CB 0.084 32.572 32.500 -0.020 0.000 0.718 137 K HN -0.039 nan 8.250 nan 0.000 0.442 138 I N 1.857 122.369 120.570 -0.096 0.000 2.127 138 I HA -0.300 3.870 4.170 -0.001 0.000 0.241 138 I C 2.321 178.276 176.117 -0.270 0.000 1.075 138 I CA 1.392 62.625 61.300 -0.111 0.000 1.334 138 I CB -0.997 37.035 38.000 0.054 0.000 1.040 138 I HN 0.272 nan 8.210 nan 0.000 0.405 139 L N -0.161 120.877 121.223 -0.307 0.000 2.012 139 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 139 L C 2.650 179.363 176.870 -0.260 0.000 1.073 139 L CA 1.037 55.684 54.840 -0.322 0.000 0.748 139 L CB -0.725 41.104 42.059 -0.384 0.000 0.891 139 L HN 0.238 nan 8.230 nan 0.000 0.431 140 L N 0.019 121.106 121.223 -0.227 0.000 2.012 140 L HA -0.254 4.085 4.340 -0.001 0.000 0.210 140 L C 2.089 178.850 176.870 -0.181 0.000 1.073 140 L CA 1.975 56.708 54.840 -0.179 0.000 0.748 140 L CB -0.662 41.273 42.059 -0.205 0.000 0.891 140 L HN 0.210 nan 8.230 nan 0.000 0.431 141 D N -0.883 119.340 120.400 -0.295 0.000 2.144 141 D HA -0.189 4.450 4.640 -0.001 0.000 0.199 141 D C 2.272 178.253 176.300 -0.533 0.000 0.984 141 D CA 1.622 55.370 54.000 -0.419 0.000 0.834 141 D CB -0.136 40.276 40.800 -0.647 0.000 0.955 141 D HN 0.422 nan 8.370 nan 0.000 0.465 142 M N 0.157 119.406 119.600 -0.586 0.000 2.132 142 M HA -0.153 4.327 4.480 -0.001 0.000 0.263 142 M C 2.174 178.377 176.300 -0.162 0.000 1.065 142 M CA 1.129 56.197 55.300 -0.387 0.000 1.122 142 M CB -0.171 32.242 32.600 -0.312 0.000 1.365 142 M HN -0.121 nan 8.290 nan 0.000 0.411 143 E N 0.423 120.536 120.200 -0.144 0.000 2.077 143 E HA -0.134 4.215 4.350 -0.001 0.000 0.193 143 E C 1.702 178.361 176.600 0.099 0.000 0.989 143 E CA 2.146 58.527 56.400 -0.032 0.000 0.800 143 E CB -0.278 29.420 29.700 -0.004 0.000 0.746 143 E HN 0.346 nan 8.360 nan 0.000 0.452 144 T N -0.327 114.276 114.554 0.081 0.000 2.708 144 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 144 T C 1.850 176.608 174.700 0.095 0.000 1.037 144 T CA 1.859 64.029 62.100 0.116 0.000 1.146 144 T CB -0.743 68.203 68.868 0.130 0.000 0.865 144 T HN 0.244 nan 8.240 nan 0.000 0.435 145 T N 1.010 115.598 114.554 0.057 0.000 2.665 145 T HA -0.154 4.196 4.350 -0.001 0.000 0.268 145 T C 1.612 176.370 174.700 0.096 0.000 1.035 145 T CA 1.517 63.661 62.100 0.074 0.000 1.151 145 T CB -0.532 68.390 68.868 0.091 0.000 0.862 145 T HN 0.481 nan 8.240 nan 0.000 0.438 146 Y N 1.705 122.016 120.300 0.019 0.000 2.133 146 Y HA -0.120 4.429 4.550 -0.001 0.000 0.287 146 Y C 2.659 178.685 175.900 0.210 0.000 1.134 146 Y CA 1.450 59.597 58.100 0.079 0.000 1.133 146 Y CB -0.384 38.121 38.460 0.074 0.000 0.987 146 Y HN 0.081 nan 8.280 nan 0.000 0.502 147 S N -0.623 115.268 115.700 0.318 0.000 2.507 147 S HA -0.093 4.376 4.470 -0.001 0.000 0.235 147 S C 1.553 176.223 174.600 0.117 0.000 0.988 147 S CA 1.160 59.504 58.200 0.239 0.000 0.944 147 S CB -0.419 62.927 63.200 0.243 0.000 0.762 147 S HN 0.525 nan 8.310 nan 0.000 0.526 148 V N -2.202 117.764 119.914 0.088 0.000 3.477 148 V HA 0.617 4.736 4.120 -0.001 0.000 0.297 148 V C 0.542 176.670 176.094 0.056 0.000 1.433 148 V CA -0.267 62.070 62.300 0.061 0.000 1.052 148 V CB -0.607 31.245 31.823 0.048 0.000 0.895 148 V HN 0.260 nan 8.190 nan 0.000 0.438 149 A N 1.950 124.798 122.820 0.047 0.000 2.462 149 A HA 0.610 4.929 4.320 -0.001 0.000 0.243 149 A C 0.648 178.310 177.584 0.131 0.000 1.076 149 A CA 0.893 52.936 52.037 0.010 0.000 0.773 149 A CB -0.120 18.756 19.000 -0.208 0.000 1.010 149 A HN 1.036 nan 8.150 nan 0.000 0.493 150 T N -1.478 113.123 114.554 0.077 0.000 2.896 150 T HA 0.637 4.986 4.350 -0.001 0.000 0.297 150 T C -0.901 173.831 174.700 0.054 0.000 1.108 150 T CA -0.711 61.451 62.100 0.104 0.000 1.004 150 T CB 1.378 70.289 68.868 0.072 0.000 1.159 150 T HN 0.738 nan 8.240 nan 0.000 0.499 151 V N 1.290 121.234 119.914 0.050 0.000 2.407 151 V HA 0.510 4.629 4.120 -0.001 0.000 0.291 151 V C -0.067 176.061 176.094 0.057 0.000 1.018 151 V CA -0.779 61.485 62.300 -0.060 0.000 0.842 151 V CB 0.826 32.488 31.823 -0.269 0.000 0.996 151 V HN 1.238 nan 8.190 nan 0.000 0.426 152 c N 4.109 122.759 118.600 0.085 0.000 2.470 152 c HA 0.652 5.221 4.570 -0.001 0.000 0.341 152 c C 0.281 174.521 174.090 0.250 0.000 1.190 152 c CA -0.788 55.642 56.329 0.167 0.000 1.904 152 c CB 0.954 43.537 42.510 0.121 0.000 2.354 152 c HN 0.809 nan 8.230 nan 0.000 0.509 153 H N 0.739 119.980 119.070 0.284 0.000 2.500 153 H HA 0.227 4.782 4.556 -0.001 0.000 0.351 153 H C -1.538 173.855 175.328 0.109 0.000 1.281 153 H CA -1.270 54.878 56.048 0.167 0.000 1.368 153 H CB 0.511 30.250 29.762 -0.038 0.000 1.616 153 H HN 0.392 nan 8.280 nan 0.000 0.591 154 P HA -0.162 nan 4.420 nan 0.000 0.219 154 P C 0.660 178.014 177.300 0.091 0.000 1.146 154 P CA 1.312 64.487 63.100 0.125 0.000 0.808 154 P CB 0.357 32.111 31.700 0.090 0.000 0.779 155 N N -0.679 118.073 118.700 0.086 0.000 2.073 155 N HA 0.006 4.745 4.740 -0.001 0.000 0.190 155 N C 1.500 177.051 175.510 0.068 0.000 1.075 155 N CA 2.056 55.139 53.050 0.055 0.000 0.866 155 N CB -1.238 37.264 38.487 0.026 0.000 1.051 155 N HN 0.141 nan 8.380 nan 0.000 0.437 156 G N -2.632 106.219 108.800 0.084 0.000 4.211 156 G HA2 0.046 4.005 3.960 -0.001 0.000 0.192 156 G HA3 0.046 4.005 3.960 -0.001 0.000 0.192 156 G C -0.725 174.233 174.900 0.097 0.000 0.951 156 G CA -0.327 44.821 45.100 0.080 0.000 0.804 156 G HN 0.316 nan 8.290 nan 0.000 0.489 157 S N 1.086 116.863 115.700 0.128 0.000 2.429 157 S HA 0.405 4.874 4.470 -0.001 0.000 0.292 157 S C 0.229 174.945 174.600 0.195 0.000 1.183 157 S CA 0.001 58.293 58.200 0.153 0.000 1.088 157 S CB -0.008 63.295 63.200 0.172 0.000 1.018 157 S HN 0.393 nan 8.310 nan 0.000 0.511 158 c N 5.038 123.724 118.600 0.142 0.000 2.355 158 c HA 0.655 5.224 4.570 -0.001 0.000 0.332 158 c C -0.134 174.036 174.090 0.133 0.000 1.255 158 c CA -0.991 55.419 56.329 0.136 0.000 1.792 158 c CB 0.083 42.651 42.510 0.095 0.000 2.300 158 c HN 0.624 nan 8.230 nan 0.000 0.515 159 L N 2.879 124.191 121.223 0.150 0.000 2.334 159 L HA 0.500 4.839 4.340 -0.001 0.000 0.276 159 L C 0.201 177.118 176.870 0.078 0.000 1.014 159 L CA 0.064 54.978 54.840 0.123 0.000 0.815 159 L CB 0.940 43.105 42.059 0.178 0.000 1.268 159 L HN 0.667 nan 8.230 nan 0.000 0.428 160 Q N 0.716 120.540 119.800 0.040 0.000 2.212 160 Q HA 0.271 4.611 4.340 -0.001 0.000 0.238 160 Q C 0.753 176.693 176.000 -0.100 0.000 0.955 160 Q CA -0.834 54.976 55.803 0.010 0.000 0.906 160 Q CB 1.663 30.407 28.738 0.011 0.000 1.215 160 Q HN 0.495 nan 8.270 nan 0.000 0.478 161 L N 0.931 122.008 121.223 -0.244 0.000 1.970 161 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 161 L C 0.007 176.710 176.870 -0.279 0.000 1.071 161 L CA 2.010 56.527 54.840 -0.539 0.000 0.751 161 L CB 0.069 41.619 42.059 -0.847 0.000 0.889 161 L HN 0.581 nan 8.230 nan 0.000 0.432 162 E N 0.288 120.401 120.200 -0.145 0.000 2.158 162 E HA 0.265 4.614 4.350 -0.001 0.000 0.271 162 E C -1.930 174.650 176.600 -0.034 0.000 0.911 162 E CA -1.511 54.847 56.400 -0.070 0.000 0.767 162 E CB 1.433 31.116 29.700 -0.028 0.000 1.120 162 E HN 0.206 nan 8.360 nan 0.000 0.405 163 P HA 0.063 nan 4.420 nan 0.000 0.264 163 P C 0.017 177.300 177.300 -0.029 0.000 1.259 163 P CA 0.097 63.182 63.100 -0.023 0.000 0.841 163 P CB 0.710 32.411 31.700 0.000 0.000 1.232 164 D N 1.342 121.729 120.400 -0.021 0.000 2.182 164 D HA -0.160 4.479 4.640 -0.001 0.000 0.193 164 D C 2.151 178.446 176.300 -0.007 0.000 0.999 164 D CA 1.308 55.310 54.000 0.004 0.000 0.850 164 D CB -0.795 40.025 40.800 0.032 0.000 0.994 164 D HN 0.185 nan 8.370 nan 0.000 0.450 165 L N 0.621 121.806 121.223 -0.063 0.000 2.083 165 L HA -0.145 4.195 4.340 -0.001 0.000 0.209 165 L C 2.659 179.444 176.870 -0.140 0.000 1.083 165 L CA 1.076 55.857 54.840 -0.099 0.000 0.752 165 L CB -0.594 41.315 42.059 -0.251 0.000 0.899 165 L HN 0.047 nan 8.230 nan 0.000 0.433 166 T N -0.430 114.023 114.554 -0.168 0.000 2.746 166 T HA -0.137 4.212 4.350 -0.001 0.000 0.267 166 T C 1.721 176.380 174.700 -0.069 0.000 1.039 166 T CA 1.390 63.404 62.100 -0.143 0.000 1.142 166 T CB -0.204 68.602 68.868 -0.104 0.000 0.866 166 T HN 0.323 nan 8.240 nan 0.000 0.444 167 N N 0.891 119.570 118.700 -0.036 0.000 2.142 167 N HA -0.047 4.692 4.740 -0.001 0.000 0.186 167 N C 2.002 177.514 175.510 0.004 0.000 1.023 167 N CA 0.712 53.757 53.050 -0.008 0.000 0.852 167 N CB -0.754 37.736 38.487 0.005 0.000 0.998 167 N HN 0.203 nan 8.380 nan 0.000 0.424 168 V N 1.796 121.721 119.914 0.019 0.000 2.287 168 V HA -0.212 3.907 4.120 -0.001 0.000 0.248 168 V C 2.374 178.486 176.094 0.030 0.000 1.053 168 V CA 1.299 63.629 62.300 0.050 0.000 1.027 168 V CB -0.382 31.510 31.823 0.115 0.000 0.646 168 V HN 0.257 nan 8.190 nan 0.000 0.447 169 M N -0.335 119.262 119.600 -0.006 0.000 2.213 169 M HA -0.074 4.405 4.480 -0.001 0.000 0.263 169 M C 2.229 178.516 176.300 -0.022 0.000 1.062 169 M CA 2.026 57.311 55.300 -0.025 0.000 1.105 169 M CB -1.391 31.158 32.600 -0.086 0.000 1.385 169 M HN 0.427 nan 8.290 nan 0.000 0.417 170 A N -0.340 122.471 122.820 -0.015 0.000 2.021 170 A HA -0.023 4.296 4.320 -0.001 0.000 0.216 170 A C 2.178 179.765 177.584 0.005 0.000 1.163 170 A CA 1.735 53.772 52.037 -0.001 0.000 0.676 170 A CB -0.537 18.465 19.000 0.003 0.000 0.818 170 A HN 0.555 nan 8.150 nan 0.000 0.453 171 T N -4.227 110.331 114.554 0.008 0.000 2.978 171 T HA 0.202 4.551 4.350 -0.001 0.000 0.248 171 T C 1.036 175.744 174.700 0.014 0.000 1.018 171 T CA 0.652 62.757 62.100 0.009 0.000 1.026 171 T CB -0.473 68.402 68.868 0.012 0.000 1.032 171 T HN 0.239 nan 8.240 nan 0.000 0.485 172 S N 0.957 116.674 115.700 0.028 0.000 2.562 172 S HA 0.373 4.842 4.470 -0.001 0.000 0.281 172 S C 0.496 175.135 174.600 0.066 0.000 1.333 172 S CA -0.461 57.768 58.200 0.049 0.000 1.052 172 S CB 0.498 63.738 63.200 0.067 0.000 0.884 172 S HN 0.288 nan 8.310 nan 0.000 0.506 173 R N 2.046 122.607 120.500 0.102 0.000 2.629 173 R HA 0.323 4.662 4.340 -0.001 0.000 0.408 173 R C -0.703 175.795 176.300 0.330 0.000 1.057 173 R CA -0.002 56.207 56.100 0.183 0.000 1.119 173 R CB 0.475 30.806 30.300 0.052 0.000 1.403 173 R HN 0.534 nan 8.270 nan 0.000 0.576 174 K N 0.021 120.565 120.400 0.240 0.000 2.293 174 K HA 0.152 4.472 4.320 -0.001 0.000 0.267 174 K C -0.083 176.655 176.600 0.230 0.000 1.010 174 K CA -0.515 55.911 56.287 0.232 0.000 0.875 174 K CB 1.435 34.014 32.500 0.132 0.000 1.106 174 K HN -0.032 nan 8.250 nan 0.000 0.450 175 Y N 3.058 123.433 120.300 0.124 0.000 2.102 175 Y HA -0.344 4.205 4.550 -0.001 0.000 0.280 175 Y C 1.825 177.765 175.900 0.067 0.000 1.178 175 Y CA 1.913 59.999 58.100 -0.024 0.000 1.146 175 Y CB 0.401 38.779 38.460 -0.137 0.000 0.968 175 Y HN 0.626 nan 8.280 nan 0.000 0.504 176 E N -0.202 120.165 120.200 0.278 0.000 2.152 176 E HA -0.159 4.190 4.350 -0.001 0.000 0.192 176 E C 1.725 178.446 176.600 0.202 0.000 0.983 176 E CA 1.224 57.754 56.400 0.216 0.000 0.818 176 E CB -0.278 29.517 29.700 0.157 0.000 0.758 176 E HN 0.615 nan 8.360 nan 0.000 0.467 177 D N 0.677 121.181 120.400 0.174 0.000 2.123 177 D HA -0.062 4.578 4.640 -0.001 0.000 0.200 177 D C 2.219 178.673 176.300 0.256 0.000 0.976 177 D CA 0.497 54.613 54.000 0.194 0.000 0.831 177 D CB -0.180 40.691 40.800 0.119 0.000 0.974 177 D HN 0.148 nan 8.370 nan 0.000 0.469 178 L N 0.240 121.566 121.223 0.171 0.000 2.083 178 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 178 L C 2.358 179.362 176.870 0.223 0.000 1.083 178 L CA 0.405 55.337 54.840 0.155 0.000 0.752 178 L CB -0.270 41.786 42.059 -0.006 0.000 0.899 178 L HN 0.072 nan 8.230 nan 0.000 0.433 179 L N -0.705 120.618 121.223 0.168 0.000 2.046 179 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 179 L C 2.236 179.209 176.870 0.172 0.000 1.077 179 L CA 1.704 56.552 54.840 0.014 0.000 0.747 179 L CB -0.740 41.255 42.059 -0.107 0.000 0.896 179 L HN 0.321 nan 8.230 nan 0.000 0.432 180 W N 0.411 121.753 121.300 0.071 0.000 2.333 180 W HA -0.268 4.391 4.660 -0.002 0.000 0.316 180 W C 2.339 178.899 176.519 0.068 0.000 1.215 180 W CA 2.843 60.230 57.345 0.069 0.000 1.278 180 W CB -0.500 29.008 29.460 0.079 0.000 1.154 180 W HN 0.242 nan 8.180 nan 0.000 0.486 181 A N -0.747 122.174 122.820 0.169 0.000 1.898 181 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 181 A C 1.746 179.289 177.584 -0.068 0.000 1.181 181 A CA 1.494 53.490 52.037 -0.068 0.000 0.620 181 A CB -1.708 17.398 19.000 0.177 0.000 0.819 181 A HN 0.629 nan 8.150 nan 0.000 0.442 182 W N 0.777 122.011 121.300 -0.109 0.000 2.354 182 W HA -0.183 4.477 4.660 -0.001 0.000 0.315 182 W C 2.117 178.581 176.519 -0.091 0.000 1.206 182 W CA 2.159 59.450 57.345 -0.090 0.000 1.290 182 W CB -0.052 29.360 29.460 -0.080 0.000 1.152 182 W HN 0.387 nan 8.180 nan 0.000 0.489 183 E N -0.253 120.031 120.200 0.140 0.000 2.072 183 E HA -0.047 4.302 4.350 -0.001 0.000 0.190 183 E C 2.403 178.854 176.600 -0.249 0.000 0.982 183 E CA 2.053 58.430 56.400 -0.039 0.000 0.803 183 E CB -1.079 28.672 29.700 0.085 0.000 0.755 183 E HN 0.215 nan 8.360 nan 0.000 0.453 184 G N 0.741 109.325 108.800 -0.361 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 1.483 176.195 174.900 -0.314 0.000 1.168 184 G CA 0.767 45.585 45.100 -0.470 0.000 0.771 184 G HN 0.481 nan 8.290 nan 0.000 0.551 185 W N 1.459 122.491 121.300 -0.446 0.000 2.338 185 W HA -0.089 4.570 4.660 -0.001 0.000 0.304 185 W C 2.603 178.935 176.519 -0.313 0.000 1.212 185 W CA 1.180 58.309 57.345 -0.360 0.000 1.264 185 W CB 0.022 29.263 29.460 -0.366 0.000 1.142 185 W HN 0.187 nan 8.180 nan 0.000 0.512 186 R N 0.049 120.271 120.500 -0.465 0.000 2.090 186 R HA -0.133 4.207 4.340 -0.001 0.000 0.228 186 R C 1.734 177.800 176.300 -0.390 0.000 1.110 186 R CA 1.687 57.483 56.100 -0.506 0.000 0.973 186 R CB -0.483 29.504 30.300 -0.521 0.000 0.869 186 R HN 0.041 nan 8.270 nan 0.000 0.440 187 D N 0.454 120.663 120.400 -0.318 0.000 2.144 187 D HA -0.122 4.517 4.640 -0.001 0.000 0.199 187 D C 1.646 177.802 176.300 -0.241 0.000 0.984 187 D CA 1.185 55.049 54.000 -0.228 0.000 0.834 187 D CB 0.116 40.803 40.800 -0.188 0.000 0.955 187 D HN 0.036 nan 8.370 nan 0.000 0.465 188 K N 0.272 120.479 120.400 -0.322 0.000 2.128 188 K HA 0.205 4.524 4.320 -0.001 0.000 0.202 188 K C 1.900 178.250 176.600 -0.417 0.000 1.050 188 K CA 0.672 56.773 56.287 -0.311 0.000 0.966 188 K CB -0.186 32.153 32.500 -0.268 0.000 0.759 188 K HN 0.053 nan 8.250 nan 0.000 0.454 189 A N 0.966 123.338 122.820 -0.748 0.000 1.871 189 A HA 0.151 4.470 4.320 -0.001 0.000 0.211 189 A C 2.418 179.755 177.584 -0.412 0.000 1.207 189 A CA 1.356 52.930 52.037 -0.771 0.000 0.620 189 A CB -1.107 16.906 19.000 -1.644 0.000 0.860 189 A HN 0.279 nan 8.150 nan 0.000 0.450 190 G N 0.024 108.548 108.800 -0.459 0.000 2.480 190 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.216 190 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.216 190 G C 1.729 176.602 174.900 -0.044 0.000 1.200 190 G CA 1.032 45.978 45.100 -0.257 0.000 0.782 190 G HN 0.523 nan 8.290 nan 0.000 0.554 191 R N 0.531 120.979 120.500 -0.087 0.000 2.127 191 R HA 0.003 4.343 4.340 -0.001 0.000 0.238 191 R C 2.891 179.187 176.300 -0.006 0.000 1.134 191 R CA 1.053 57.142 56.100 -0.018 0.000 0.975 191 R CB -0.341 29.924 30.300 -0.059 0.000 0.865 191 R HN 0.368 nan 8.270 nan 0.000 0.447 192 A N 0.803 123.607 122.820 -0.026 0.000 2.119 192 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 192 A C 1.854 179.523 177.584 0.142 0.000 1.153 192 A CA 0.863 52.913 52.037 0.023 0.000 0.692 192 A CB -0.098 18.906 19.000 0.006 0.000 0.799 192 A HN 0.089 nan 8.150 nan 0.000 0.458 193 I N -0.880 119.797 120.570 0.178 0.000 2.852 193 I HA -0.048 4.121 4.170 -0.001 0.000 0.264 193 I C 2.143 178.370 176.117 0.184 0.000 1.179 193 I CA 0.542 62.033 61.300 0.318 0.000 1.480 193 I CB -0.954 37.234 38.000 0.314 0.000 1.111 193 I HN 0.330 nan 8.210 nan 0.000 0.441 194 L N 1.948 123.166 121.223 -0.007 0.000 2.081 194 L HA -0.253 4.087 4.340 -0.001 0.000 0.212 194 L C 2.604 179.369 176.870 -0.174 0.000 1.080 194 L CA 2.093 56.757 54.840 -0.294 0.000 0.754 194 L CB -0.783 41.172 42.059 -0.173 0.000 0.893 194 L HN 0.471 nan 8.230 nan 0.000 0.433 195 Q N -2.379 117.289 119.800 -0.219 0.000 2.291 195 Q HA -0.181 4.159 4.340 -0.001 0.000 0.205 195 Q C 1.729 177.520 176.000 -0.349 0.000 0.970 195 Q CA 1.939 57.536 55.803 -0.344 0.000 0.876 195 Q CB -0.575 27.841 28.738 -0.536 0.000 0.935 195 Q HN 0.540 nan 8.270 nan 0.000 0.455 196 F N -1.506 118.467 119.950 0.038 0.000 2.582 196 F HA 0.130 4.656 4.527 -0.001 0.000 0.290 196 F C 1.713 177.596 175.800 0.138 0.000 1.115 196 F CA -0.227 57.818 58.000 0.076 0.000 1.445 196 F CB -0.107 38.930 39.000 0.062 0.000 1.126 196 F HN -0.066 nan 8.300 nan 0.000 0.574 197 Y N 1.718 122.107 120.300 0.148 0.000 2.081 197 Y HA -0.161 4.388 4.550 -0.001 0.000 0.280 197 Y C -0.619 175.445 175.900 0.273 0.000 1.163 197 Y CA 1.829 60.028 58.100 0.165 0.000 1.135 197 Y CB -1.805 36.550 38.460 -0.174 0.000 0.970 197 Y HN -0.065 nan 8.280 nan 0.000 0.498 198 P HA -0.190 nan 4.420 nan 0.000 0.216 198 P C 1.449 178.817 177.300 0.112 0.000 1.150 198 P CA 2.125 65.355 63.100 0.216 0.000 0.837 198 P CB 0.046 31.832 31.700 0.144 0.000 0.786 199 K N -1.118 119.359 120.400 0.128 0.000 2.103 199 K HA -0.162 4.157 4.320 -0.001 0.000 0.204 199 K C 2.138 178.816 176.600 0.132 0.000 1.052 199 K CA 1.193 57.549 56.287 0.114 0.000 0.945 199 K CB -1.419 31.167 32.500 0.143 0.000 0.722 199 K HN 0.088 nan 8.250 nan 0.000 0.443 200 Y N 0.074 120.399 120.300 0.041 0.000 2.128 200 Y HA -0.195 4.355 4.550 -0.001 0.000 0.284 200 Y C 1.695 177.583 175.900 -0.021 0.000 1.154 200 Y CA 1.711 59.839 58.100 0.046 0.000 1.149 200 Y CB -0.588 37.826 38.460 -0.078 0.000 0.976 200 Y HN -0.141 nan 8.280 nan 0.000 0.505 201 V N 1.286 120.987 119.914 -0.356 0.000 2.332 201 V HA -0.320 3.799 4.120 -0.001 0.000 0.248 201 V C 2.483 178.418 176.094 -0.264 0.000 1.055 201 V CA 2.332 64.415 62.300 -0.361 0.000 1.038 201 V CB -0.798 30.971 31.823 -0.089 0.000 0.651 201 V HN 0.597 nan 8.190 nan 0.000 0.450 202 E N 0.059 120.171 120.200 -0.147 0.000 2.051 202 E HA -0.222 4.127 4.350 -0.001 0.000 0.192 202 E C 2.228 178.713 176.600 -0.191 0.000 0.991 202 E CA 1.584 57.909 56.400 -0.126 0.000 0.799 202 E CB -0.165 29.502 29.700 -0.056 0.000 0.748 202 E HN 0.578 nan 8.360 nan 0.000 0.449 203 L N 0.680 121.787 121.223 -0.193 0.000 2.056 203 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 203 L C 2.757 179.303 176.870 -0.540 0.000 1.078 203 L CA 0.821 55.492 54.840 -0.283 0.000 0.749 203 L CB -0.298 41.679 42.059 -0.136 0.000 0.901 203 L HN 0.302 nan 8.230 nan 0.000 0.433 204 I N -0.125 120.062 120.570 -0.638 0.000 2.439 204 I HA -0.246 3.923 4.170 -0.001 0.000 0.251 204 I C 2.171 177.929 176.117 -0.600 0.000 1.139 204 I CA 1.017 61.884 61.300 -0.721 0.000 1.438 204 I CB -0.047 37.515 38.000 -0.730 0.000 1.085 204 I HN 0.333 nan 8.210 nan 0.000 0.427 205 N N 0.641 119.025 118.700 -0.526 0.000 2.171 205 N HA -0.233 4.506 4.740 -0.001 0.000 0.184 205 N C 1.705 177.044 175.510 -0.285 0.000 1.021 205 N CA 1.113 53.915 53.050 -0.413 0.000 0.854 205 N CB -0.324 37.986 38.487 -0.295 0.000 0.994 205 N HN 0.488 nan 8.380 nan 0.000 0.426 206 Q N 0.432 120.077 119.800 -0.258 0.000 2.061 206 Q HA -0.087 4.252 4.340 -0.001 0.000 0.204 206 Q C 1.838 177.726 176.000 -0.188 0.000 0.984 206 Q CA 1.691 57.380 55.803 -0.190 0.000 0.846 206 Q CB -0.082 28.553 28.738 -0.172 0.000 0.902 206 Q HN 0.349 nan 8.270 nan 0.000 0.421 207 A N 0.770 123.436 122.820 -0.256 0.000 1.908 207 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 207 A C 2.288 179.791 177.584 -0.136 0.000 1.181 207 A CA 1.823 53.732 52.037 -0.214 0.000 0.627 207 A CB -1.044 17.771 19.000 -0.308 0.000 0.818 207 A HN 0.569 nan 8.150 nan 0.000 0.445 208 A N -0.202 122.514 122.820 -0.172 0.000 1.883 208 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 208 A C 2.257 179.854 177.584 0.022 0.000 1.186 208 A CA 1.627 53.625 52.037 -0.065 0.000 0.624 208 A CB -0.507 18.371 19.000 -0.204 0.000 0.822 208 A HN 0.561 nan 8.150 nan 0.000 0.444 209 R N -0.655 119.810 120.500 -0.058 0.000 2.096 209 R HA -0.001 4.338 4.340 -0.001 0.000 0.235 209 R C 1.849 178.117 176.300 -0.053 0.000 1.127 209 R CA 1.277 57.347 56.100 -0.050 0.000 0.968 209 R CB -0.490 29.767 30.300 -0.073 0.000 0.861 209 R HN 0.504 nan 8.270 nan 0.000 0.440 210 L N 0.875 122.063 121.223 -0.058 0.000 2.456 210 L HA -0.082 4.257 4.340 -0.001 0.000 0.224 210 L C 1.137 177.981 176.870 -0.043 0.000 1.148 210 L CA 0.646 55.454 54.840 -0.054 0.000 0.825 210 L CB -0.174 41.849 42.059 -0.060 0.000 0.937 210 L HN 0.193 nan 8.230 nan 0.000 0.450 211 N N -0.308 118.379 118.700 -0.022 0.000 2.203 211 N HA 0.117 4.856 4.740 -0.001 0.000 0.207 211 N C 1.225 176.636 175.510 -0.165 0.000 1.130 211 N CA 0.884 53.923 53.050 -0.020 0.000 0.861 211 N CB 1.382 39.930 38.487 0.102 0.000 1.005 211 N HN 0.327 nan 8.380 nan 0.000 0.507 212 G N 0.159 108.851 108.800 -0.180 0.000 2.176 212 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.232 212 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.232 212 G C -0.219 174.457 174.900 -0.374 0.000 0.986 212 G CA -0.192 44.729 45.100 -0.298 0.000 0.643 212 G HN 0.324 nan 8.290 nan 0.000 0.522 213 Y N -0.600 119.662 120.300 -0.064 0.000 2.458 213 Y HA 0.460 5.009 4.550 -0.001 0.000 0.322 213 Y C 1.841 177.686 175.900 -0.092 0.000 1.259 213 Y CA -0.267 57.789 58.100 -0.074 0.000 1.302 213 Y CB 1.262 39.669 38.460 -0.088 0.000 1.314 213 Y HN 0.264 nan 8.280 nan 0.000 0.509 214 V N -2.402 117.562 119.914 0.084 0.000 2.788 214 V HA 0.125 4.244 4.120 -0.001 0.000 0.251 214 V C -0.470 175.597 176.094 -0.045 0.000 1.068 214 V CA 1.470 63.769 62.300 -0.002 0.000 1.090 214 V CB -0.716 31.099 31.823 -0.012 0.000 0.710 214 V HN 0.900 nan 8.190 nan 0.000 0.467 215 D N -3.051 117.303 120.400 -0.076 0.000 2.725 215 D HA 0.572 5.212 4.640 -0.001 0.000 0.292 215 D C 0.663 176.748 176.300 -0.359 0.000 1.288 215 D CA -0.021 53.864 54.000 -0.192 0.000 0.784 215 D CB 0.959 41.675 40.800 -0.139 0.000 1.308 215 D HN 0.121 nan 8.370 nan 0.000 0.429 216 A N 0.027 122.439 122.820 -0.680 0.000 1.940 216 A HA 0.114 4.434 4.320 -0.001 0.000 0.219 216 A C 2.056 179.028 177.584 -1.020 0.000 1.176 216 A CA 2.300 53.661 52.037 -1.127 0.000 0.631 216 A CB -1.590 16.144 19.000 -2.109 0.000 0.814 216 A HN 0.700 nan 8.150 nan 0.000 0.446 217 G N -0.175 108.310 108.800 -0.525 0.000 2.418 217 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.217 217 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.217 217 G C 1.317 176.057 174.900 -0.267 0.000 1.158 217 G CA 1.428 46.472 45.100 -0.094 0.000 0.771 217 G HN 0.557 nan 8.290 nan 0.000 0.545 218 D N 0.415 120.653 120.400 -0.271 0.000 2.092 218 D HA -0.147 4.492 4.640 -0.001 0.000 0.193 218 D C 2.626 178.733 176.300 -0.322 0.000 0.994 218 D CA 1.682 55.554 54.000 -0.214 0.000 0.828 218 D CB -0.535 40.223 40.800 -0.071 0.000 0.963 218 D HN 0.192 nan 8.370 nan 0.000 0.450 219 S N -1.183 114.160 115.700 -0.596 0.000 2.365 219 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 219 S C 1.871 176.290 174.600 -0.301 0.000 1.039 219 S CA 1.610 59.177 58.200 -1.056 0.000 1.033 219 S CB -0.597 62.125 63.200 -0.797 0.000 0.887 219 S HN 0.437 nan 8.310 nan 0.000 0.447 220 W N 1.819 122.966 121.300 -0.256 0.000 2.355 220 W HA 0.081 4.741 4.660 -0.001 0.000 0.309 220 W C 2.653 179.210 176.519 0.063 0.000 1.206 220 W CA 0.470 57.797 57.345 -0.030 0.000 1.284 220 W CB -1.176 28.387 29.460 0.171 0.000 1.145 220 W HN 0.367 nan 8.180 nan 0.000 0.502 221 R N 0.503 121.146 120.500 0.238 0.000 2.152 221 R HA -0.136 4.203 4.340 -0.001 0.000 0.232 221 R C 2.297 178.750 176.300 0.254 0.000 1.117 221 R CA 1.775 57.994 56.100 0.198 0.000 0.981 221 R CB -0.899 29.300 30.300 -0.168 0.000 0.870 221 R HN 0.190 nan 8.270 nan 0.000 0.451 222 S N 0.727 116.505 115.700 0.131 0.000 2.440 222 S HA -0.149 4.320 4.470 -0.001 0.000 0.238 222 S C 1.928 176.661 174.600 0.221 0.000 1.010 222 S CA 0.967 59.277 58.200 0.183 0.000 0.972 222 S CB -0.211 63.098 63.200 0.183 0.000 0.774 222 S HN 0.254 nan 8.310 nan 0.000 0.501 223 M N -0.353 119.340 119.600 0.155 0.000 2.446 223 M HA -0.044 4.436 4.480 -0.001 0.000 0.263 223 M C 1.087 177.398 176.300 0.017 0.000 1.066 223 M CA 1.373 56.687 55.300 0.024 0.000 1.087 223 M CB -0.511 31.976 32.600 -0.187 0.000 1.406 223 M HN 0.406 nan 8.290 nan 0.000 0.459 224 Y N 0.148 120.602 120.300 0.258 0.000 2.500 224 Y HA 0.053 4.602 4.550 -0.001 0.000 0.270 224 Y C 0.571 176.727 175.900 0.426 0.000 1.134 224 Y CA 0.015 58.320 58.100 0.341 0.000 1.293 224 Y CB -0.023 38.602 38.460 0.275 0.000 1.063 224 Y HN 0.244 nan 8.280 nan 0.000 0.534 225 E N 0.511 120.958 120.200 0.412 0.000 2.328 225 E HA -0.209 4.141 4.350 -0.001 0.000 0.233 225 E C -0.673 176.096 176.600 0.282 0.000 1.219 225 E CA 0.820 57.394 56.400 0.290 0.000 0.717 225 E CB -1.799 28.026 29.700 0.208 0.000 1.210 225 E HN 0.202 nan 8.360 nan 0.000 0.381 226 T N -0.355 114.400 114.554 0.335 0.000 3.009 226 T HA 0.264 4.613 4.350 -0.001 0.000 0.346 226 T C -1.895 172.925 174.700 0.201 0.000 1.092 226 T CA -1.226 61.053 62.100 0.297 0.000 1.080 226 T CB 1.619 70.777 68.868 0.482 0.000 1.037 226 T HN -0.165 nan 8.240 nan 0.000 0.487 227 P HA -0.118 nan 4.420 nan 0.000 0.217 227 P C 1.438 178.789 177.300 0.086 0.000 1.148 227 P CA 0.840 63.995 63.100 0.093 0.000 0.828 227 P CB 0.153 31.896 31.700 0.071 0.000 0.783 228 S N -1.974 113.792 115.700 0.111 0.000 2.671 228 S HA 0.064 4.533 4.470 -0.001 0.000 0.220 228 S C 1.568 176.245 174.600 0.129 0.000 0.951 228 S CA -0.296 57.970 58.200 0.110 0.000 0.932 228 S CB -1.138 62.133 63.200 0.118 0.000 0.777 228 S HN -0.074 nan 8.310 nan 0.000 0.508 229 L N 2.579 123.881 121.223 0.131 0.000 1.991 229 L HA -0.203 4.136 4.340 -0.001 0.000 0.221 229 L C 2.364 179.300 176.870 0.110 0.000 1.079 229 L CA 2.128 57.040 54.840 0.120 0.000 0.778 229 L CB -0.886 41.213 42.059 0.068 0.000 0.893 229 L HN 0.364 nan 8.230 nan 0.000 0.437 230 E N -1.166 119.073 120.200 0.066 0.000 2.085 230 E HA -0.285 4.064 4.350 -0.001 0.000 0.194 230 E C 2.145 178.838 176.600 0.155 0.000 0.994 230 E CA 1.676 58.144 56.400 0.112 0.000 0.801 230 E CB -0.190 29.539 29.700 0.048 0.000 0.743 230 E HN 0.691 nan 8.360 nan 0.000 0.453 231 Q N 0.426 120.304 119.800 0.129 0.000 2.119 231 Q HA -0.150 4.189 4.340 -0.001 0.000 0.201 231 Q C 1.786 177.882 176.000 0.160 0.000 0.972 231 Q CA 1.025 56.910 55.803 0.137 0.000 0.847 231 Q CB 0.049 28.853 28.738 0.111 0.000 0.903 231 Q HN 0.235 nan 8.270 nan 0.000 0.433 232 D N 0.978 121.481 120.400 0.171 0.000 2.104 232 D HA -0.149 4.490 4.640 -0.001 0.000 0.194 232 D C 1.988 178.426 176.300 0.231 0.000 0.994 232 D CA 1.066 55.184 54.000 0.197 0.000 0.830 232 D CB -0.179 40.754 40.800 0.222 0.000 0.959 232 D HN 0.213 nan 8.370 nan 0.000 0.452 233 L N 0.513 121.889 121.223 0.255 0.000 2.083 233 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 233 L C 2.448 179.471 176.870 0.255 0.000 1.083 233 L CA 0.924 55.966 54.840 0.337 0.000 0.752 233 L CB -0.392 41.840 42.059 0.289 0.000 0.899 233 L HN -0.022 nan 8.230 nan 0.000 0.433 234 E N 0.911 121.252 120.200 0.236 0.000 2.077 234 E HA -0.203 4.146 4.350 -0.001 0.000 0.193 234 E C 2.265 178.962 176.600 0.161 0.000 0.989 234 E CA 1.434 57.943 56.400 0.182 0.000 0.800 234 E CB -0.005 29.826 29.700 0.218 0.000 0.746 234 E HN 0.223 nan 8.360 nan 0.000 0.452 235 R N -0.282 120.316 120.500 0.163 0.000 2.081 235 R HA -0.055 4.284 4.340 -0.001 0.000 0.235 235 R C 2.579 178.958 176.300 0.131 0.000 1.131 235 R CA 1.456 57.637 56.100 0.135 0.000 0.960 235 R CB -0.420 29.956 30.300 0.128 0.000 0.856 235 R HN 0.263 nan 8.270 nan 0.000 0.436 236 L N -0.473 120.862 121.223 0.186 0.000 2.046 236 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 236 L C 2.328 179.307 176.870 0.180 0.000 1.077 236 L CA 1.176 56.130 54.840 0.190 0.000 0.747 236 L CB -0.481 41.744 42.059 0.277 0.000 0.896 236 L HN 0.138 nan 8.230 nan 0.000 0.432 237 F N 0.733 120.724 119.950 0.067 0.000 2.102 237 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 237 F C 2.712 178.468 175.800 -0.074 0.000 1.105 237 F CA 1.534 59.467 58.000 -0.113 0.000 1.239 237 F CB -0.236 38.304 39.000 -0.767 0.000 0.991 237 F HN 0.042 nan 8.300 nan 0.000 0.474 238 Q N 0.702 120.447 119.800 -0.092 0.000 2.170 238 Q HA -0.205 4.134 4.340 -0.001 0.000 0.203 238 Q C 2.103 178.013 176.000 -0.150 0.000 0.976 238 Q CA 1.837 57.564 55.803 -0.128 0.000 0.858 238 Q CB -0.566 28.194 28.738 0.035 0.000 0.907 238 Q HN 0.631 nan 8.270 nan 0.000 0.433 239 E N -0.085 120.061 120.200 -0.089 0.000 2.204 239 E HA -0.084 4.265 4.350 -0.001 0.000 0.194 239 E C 1.445 177.983 176.600 -0.103 0.000 0.989 239 E CA 0.384 56.746 56.400 -0.063 0.000 0.824 239 E CB 0.105 29.798 29.700 -0.012 0.000 0.756 239 E HN 0.217 nan 8.360 nan 0.000 0.477 240 L N 0.915 122.030 121.223 -0.180 0.000 2.592 240 L HA -0.017 4.322 4.340 -0.001 0.000 0.227 240 L C 2.165 178.911 176.870 -0.206 0.000 1.127 240 L CA 0.033 54.766 54.840 -0.179 0.000 0.884 240 L CB 0.211 42.164 42.059 -0.178 0.000 1.065 240 L HN -0.008 nan 8.230 nan 0.000 0.457 241 Q N 0.311 119.942 119.800 -0.282 0.000 2.050 241 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 241 Q C -0.283 175.677 176.000 -0.067 0.000 0.980 241 Q CA 1.787 57.461 55.803 -0.215 0.000 0.840 241 Q CB -1.249 27.348 28.738 -0.235 0.000 0.898 241 Q HN 0.354 nan 8.270 nan 0.000 0.424 242 P HA -0.163 nan 4.420 nan 0.000 0.216 242 P C 1.560 178.848 177.300 -0.019 0.000 1.153 242 P CA 0.903 63.981 63.100 -0.036 0.000 0.858 242 P CB -0.107 31.575 31.700 -0.031 0.000 0.789 243 L N -1.747 119.460 121.223 -0.026 0.000 2.027 243 L HA -0.154 4.185 4.340 -0.001 0.000 0.206 243 L C 2.348 179.212 176.870 -0.011 0.000 1.074 243 L CA 1.805 56.626 54.840 -0.032 0.000 0.745 243 L CB -1.708 40.305 42.059 -0.076 0.000 0.898 243 L HN -0.063 nan 8.230 nan 0.000 0.433 244 Y N -0.279 119.968 120.300 -0.089 0.000 2.145 244 Y HA -0.214 4.335 4.550 -0.001 0.000 0.286 244 Y C 2.293 178.261 175.900 0.113 0.000 1.145 244 Y CA 1.854 59.938 58.100 -0.026 0.000 1.148 244 Y CB -0.380 38.060 38.460 -0.035 0.000 0.981 244 Y HN 0.173 nan 8.280 nan 0.000 0.507 245 L N 0.169 121.375 121.223 -0.028 0.000 2.079 245 L HA -0.274 4.065 4.340 -0.001 0.000 0.210 245 L C 2.263 179.141 176.870 0.014 0.000 1.081 245 L CA 1.474 56.291 54.840 -0.038 0.000 0.752 245 L CB -0.651 41.390 42.059 -0.031 0.000 0.896 245 L HN 0.332 nan 8.230 nan 0.000 0.433 246 N N 0.049 118.755 118.700 0.010 0.000 2.216 246 N HA -0.141 4.598 4.740 -0.001 0.000 0.183 246 N C 1.866 177.438 175.510 0.103 0.000 1.017 246 N CA 1.013 54.094 53.050 0.053 0.000 0.861 246 N CB -0.017 38.488 38.487 0.029 0.000 0.986 246 N HN 0.189 nan 8.380 nan 0.000 0.428 247 L N 0.899 122.154 121.223 0.053 0.000 2.056 247 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 247 L C 2.288 179.306 176.870 0.246 0.000 1.078 247 L CA 1.803 56.722 54.840 0.132 0.000 0.749 247 L CB -0.888 41.180 42.059 0.015 0.000 0.901 247 L HN 0.210 nan 8.230 nan 0.000 0.433 248 H N -0.543 118.515 119.070 -0.020 0.000 2.319 248 H HA -0.145 4.410 4.556 -0.001 0.000 0.299 248 H C 2.059 177.475 175.328 0.147 0.000 1.092 248 H CA 2.077 58.188 56.048 0.105 0.000 1.302 248 H CB -0.060 29.648 29.762 -0.089 0.000 1.373 248 H HN 0.445 nan 8.280 nan 0.000 0.497 249 A N -0.273 122.714 122.820 0.279 0.000 1.930 249 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 249 A C 2.301 179.954 177.584 0.116 0.000 1.175 249 A CA 1.480 53.632 52.037 0.192 0.000 0.627 249 A CB -1.230 17.880 19.000 0.183 0.000 0.815 249 A HN 0.706 nan 8.150 nan 0.000 0.443 250 Y N 0.604 120.935 120.300 0.052 0.000 2.145 250 Y HA -0.160 4.390 4.550 -0.001 0.000 0.286 250 Y C 2.311 178.222 175.900 0.019 0.000 1.145 250 Y CA 1.927 60.052 58.100 0.042 0.000 1.148 250 Y CB -0.360 38.167 38.460 0.111 0.000 0.981 250 Y HN 0.057 nan 8.280 nan 0.000 0.507 251 V N 1.109 121.038 119.914 0.025 0.000 2.358 251 V HA -0.287 3.832 4.120 -0.001 0.000 0.246 251 V C 2.540 178.500 176.094 -0.224 0.000 1.047 251 V CA 2.212 64.444 62.300 -0.114 0.000 1.035 251 V CB -0.767 31.070 31.823 0.022 0.000 0.658 251 V HN 0.369 nan 8.190 nan 0.000 0.452 252 R N 0.286 120.653 120.500 -0.221 0.000 2.105 252 R HA -0.247 4.092 4.340 -0.001 0.000 0.239 252 R C 2.437 178.663 176.300 -0.123 0.000 1.135 252 R CA 2.021 58.000 56.100 -0.202 0.000 0.967 252 R CB -0.228 29.958 30.300 -0.191 0.000 0.861 252 R HN 0.386 nan 8.270 nan 0.000 0.442 253 R N 0.547 120.947 120.500 -0.167 0.000 2.075 253 R HA -0.017 4.322 4.340 -0.001 0.000 0.232 253 R C 1.967 178.159 176.300 -0.179 0.000 1.126 253 R CA 1.930 57.913 56.100 -0.195 0.000 0.963 253 R CB -0.721 29.413 30.300 -0.275 0.000 0.858 253 R HN 0.315 nan 8.270 nan 0.000 0.435 254 A N 0.470 123.117 122.820 -0.287 0.000 1.933 254 A HA -0.058 4.261 4.320 -0.001 0.000 0.218 254 A C 2.255 179.782 177.584 -0.096 0.000 1.175 254 A CA 1.428 53.317 52.037 -0.245 0.000 0.628 254 A CB -0.557 18.232 19.000 -0.352 0.000 0.814 254 A HN 0.368 nan 8.150 nan 0.000 0.444 255 L N -1.446 119.745 121.223 -0.054 0.000 2.093 255 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 255 L C 2.703 179.670 176.870 0.162 0.000 1.085 255 L CA 1.413 56.309 54.840 0.093 0.000 0.755 255 L CB -0.684 41.403 42.059 0.047 0.000 0.904 255 L HN 0.610 nan 8.230 nan 0.000 0.435 256 H N 0.933 120.001 119.070 -0.005 0.000 2.353 256 H HA -0.170 4.385 4.556 -0.001 0.000 0.300 256 H C 2.389 177.705 175.328 -0.019 0.000 1.090 256 H CA 1.742 57.789 56.048 -0.002 0.000 1.327 256 H CB 0.203 29.937 29.762 -0.046 0.000 1.383 256 H HN 0.198 nan 8.280 nan 0.000 0.508 257 R N -1.103 119.452 120.500 0.093 0.000 2.081 257 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 257 R C 2.463 178.723 176.300 -0.067 0.000 1.131 257 R CA 1.875 57.980 56.100 0.008 0.000 0.960 257 R CB -0.237 30.050 30.300 -0.022 0.000 0.856 257 R HN 0.430 nan 8.270 nan 0.000 0.436 258 H N -1.522 117.444 119.070 -0.174 0.000 2.355 258 H HA -0.015 4.541 4.556 -0.001 0.000 0.303 258 H C 0.938 176.035 175.328 -0.384 0.000 1.061 258 H CA 1.488 57.341 56.048 -0.326 0.000 1.368 258 H CB 0.149 29.610 29.762 -0.501 0.000 1.412 258 H HN 0.192 nan 8.280 nan 0.000 0.523 259 Y N -0.036 120.232 120.300 -0.054 0.000 2.466 259 Y HA 0.276 4.825 4.550 -0.001 0.000 0.272 259 Y C 0.997 176.869 175.900 -0.047 0.000 1.169 259 Y CA 0.215 58.280 58.100 -0.059 0.000 1.285 259 Y CB 0.719 39.229 38.460 0.084 0.000 1.078 259 Y HN 0.454 nan 8.280 nan 0.000 0.523 260 G N -0.128 108.637 108.800 -0.058 0.000 2.712 260 G HA2 0.010 3.970 3.960 -0.001 0.000 0.686 260 G HA3 0.010 3.970 3.960 -0.001 0.000 0.686 260 G C 0.548 175.238 174.900 -0.350 0.000 1.181 260 G CA -0.566 44.429 45.100 -0.174 0.000 0.762 260 G HN 0.349 nan 8.290 nan 0.000 0.641 261 A N 0.486 123.000 122.820 -0.510 0.000 2.019 261 A HA -0.009 4.310 4.320 -0.001 0.000 0.219 261 A C 2.203 179.638 177.584 -0.248 0.000 1.164 261 A CA 2.292 54.050 52.037 -0.466 0.000 0.644 261 A CB -0.223 18.652 19.000 -0.208 0.000 0.805 261 A HN 0.745 nan 8.150 nan 0.000 0.449 262 Q N -0.729 118.855 119.800 -0.359 0.000 2.436 262 Q HA -0.078 4.261 4.340 -0.001 0.000 0.209 262 Q C 0.664 176.275 176.000 -0.648 0.000 0.965 262 Q CA 0.892 56.399 55.803 -0.492 0.000 0.910 262 Q CB -0.075 28.291 28.738 -0.620 0.000 0.980 262 Q HN 0.850 nan 8.270 nan 0.000 0.491 263 H N -1.442 117.552 119.070 -0.128 0.000 2.893 263 H HA 0.266 4.821 4.556 -0.001 0.000 0.270 263 H C 0.108 175.424 175.328 -0.019 0.000 1.095 263 H CA -0.083 55.894 56.048 -0.119 0.000 1.186 263 H CB 1.676 31.303 29.762 -0.225 0.000 1.562 263 H HN -0.011 nan 8.280 nan 0.000 0.536 264 I N 2.190 122.799 120.570 0.065 0.000 2.468 264 I HA 0.100 4.269 4.170 -0.001 0.000 0.285 264 I C 0.037 176.242 176.117 0.147 0.000 1.039 264 I CA -0.783 60.586 61.300 0.114 0.000 1.074 264 I CB 1.890 39.986 38.000 0.160 0.000 1.228 264 I HN 0.005 nan 8.210 nan 0.000 0.436 265 N N 6.688 125.447 118.700 0.098 0.000 2.420 265 N HA 0.252 4.992 4.740 -0.001 0.000 0.249 265 N C 0.756 176.319 175.510 0.088 0.000 1.033 265 N CA -0.192 52.912 53.050 0.090 0.000 0.944 265 N CB 1.063 39.593 38.487 0.071 0.000 1.113 265 N HN 0.564 nan 8.380 nan 0.000 0.502 266 L N 2.379 123.636 121.223 0.057 0.000 2.549 266 L HA -0.052 4.287 4.340 -0.001 0.000 0.230 266 L C 0.759 177.662 176.870 0.054 0.000 1.162 266 L CA 1.026 55.865 54.840 -0.000 0.000 0.834 266 L CB -0.031 41.956 42.059 -0.120 0.000 0.947 266 L HN 0.591 nan 8.230 nan 0.000 0.452 267 E N -0.975 119.276 120.200 0.085 0.000 2.693 267 E HA 0.225 4.574 4.350 -0.001 0.000 0.214 267 E C 0.683 177.393 176.600 0.184 0.000 0.990 267 E CA -0.157 56.313 56.400 0.117 0.000 1.047 267 E CB 0.974 30.720 29.700 0.075 0.000 1.039 267 E HN 0.350 nan 8.360 nan 0.000 0.475 268 G N 1.877 110.795 108.800 0.198 0.000 3.140 268 G HA2 0.449 4.408 3.960 -0.001 0.000 0.271 268 G HA3 0.449 4.408 3.960 -0.001 0.000 0.271 268 G C -2.791 172.258 174.900 0.248 0.000 1.370 268 G CA -1.353 43.885 45.100 0.230 0.000 1.014 268 G HN -0.192 nan 8.290 nan 0.000 0.541 269 P HA 0.333 nan 4.420 nan 0.000 0.274 269 P C -0.540 176.759 177.300 -0.002 0.000 1.246 269 P CA -0.168 62.917 63.100 -0.024 0.000 0.795 269 P CB 1.471 33.076 31.700 -0.158 0.000 1.006 270 I N 2.129 122.673 120.570 -0.043 0.000 2.353 270 I HA 0.232 4.402 4.170 -0.001 0.000 0.293 270 I C -2.093 173.954 176.117 -0.116 0.000 0.992 270 I CA -2.805 58.420 61.300 -0.124 0.000 1.268 270 I CB 1.100 38.935 38.000 -0.276 0.000 1.387 270 I HN 0.102 nan 8.210 nan 0.000 0.478 271 P HA -0.030 nan 4.420 nan 0.000 0.264 271 P C 0.279 177.468 177.300 -0.184 0.000 1.193 271 P CA 0.112 63.132 63.100 -0.133 0.000 0.763 271 P CB 0.857 32.525 31.700 -0.054 0.000 0.810 272 A N 3.940 126.652 122.820 -0.179 0.000 2.178 272 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 272 A C 1.413 178.863 177.584 -0.224 0.000 1.157 272 A CA 1.314 53.291 52.037 -0.101 0.000 0.689 272 A CB -1.131 18.001 19.000 0.220 0.000 0.787 272 A HN 0.717 nan 8.150 nan 0.000 0.465 273 H N -1.465 117.187 119.070 -0.697 0.000 2.551 273 H HA 0.297 4.852 4.556 -0.001 0.000 0.271 273 H C 0.935 176.017 175.328 -0.410 0.000 0.984 273 H CA 0.056 55.767 56.048 -0.562 0.000 1.164 273 H CB -0.639 28.690 29.762 -0.722 0.000 1.437 273 H HN 0.442 nan 8.280 nan 0.000 0.550 274 L N 0.824 121.625 121.223 -0.703 0.000 2.628 274 L HA 0.117 4.456 4.340 -0.001 0.000 0.229 274 L C 0.870 177.503 176.870 -0.396 0.000 1.137 274 L CA -0.113 54.334 54.840 -0.655 0.000 0.909 274 L CB 0.258 41.851 42.059 -0.776 0.000 1.137 274 L HN 0.115 nan 8.230 nan 0.000 0.470 275 L N 0.225 121.237 121.223 -0.352 0.000 2.611 275 L HA 0.296 4.635 4.340 -0.001 0.000 0.229 275 L C 1.584 178.389 176.870 -0.109 0.000 1.137 275 L CA 0.893 55.517 54.840 -0.359 0.000 0.901 275 L CB -1.082 40.623 42.059 -0.589 0.000 1.098 275 L HN 0.459 nan 8.230 nan 0.000 0.456 276 G N 0.920 109.672 108.800 -0.081 0.000 2.159 276 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.256 276 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.256 276 G C 0.317 175.223 174.900 0.011 0.000 0.977 276 G CA 0.445 45.536 45.100 -0.014 0.000 0.652 276 G HN 0.458 nan 8.290 nan 0.000 0.531 277 N N -0.764 117.941 118.700 0.008 0.000 2.287 277 N HA 0.400 5.139 4.740 -0.001 0.000 0.289 277 N C 1.188 176.634 175.510 -0.107 0.000 1.066 277 N CA -0.194 52.853 53.050 -0.005 0.000 0.841 277 N CB 1.403 39.962 38.487 0.120 0.000 1.599 277 N HN -0.027 nan 8.380 nan 0.000 0.476 278 M N 2.574 121.941 119.600 -0.388 0.000 2.143 278 M HA -0.020 4.459 4.480 -0.001 0.000 0.258 278 M C 0.573 176.477 176.300 -0.660 0.000 1.071 278 M CA 1.870 56.724 55.300 -0.743 0.000 1.088 278 M CB -0.224 31.408 32.600 -1.613 0.000 1.360 278 M HN 0.647 nan 8.290 nan 0.000 0.404 279 W N -0.874 120.474 121.300 0.079 0.000 3.127 279 W HA 0.577 5.236 4.660 -0.001 0.000 0.344 279 W C 1.103 177.611 176.519 -0.019 0.000 1.151 279 W CA 0.292 57.660 57.345 0.038 0.000 1.765 279 W CB -0.979 28.387 29.460 -0.156 0.000 1.085 279 W HN 0.428 nan 8.180 nan 0.000 0.596 280 A N 1.909 124.838 122.820 0.182 0.000 2.832 280 A HA -0.342 3.978 4.320 -0.001 0.000 0.280 280 A C 1.676 179.450 177.584 0.317 0.000 1.464 280 A CA 1.987 54.183 52.037 0.265 0.000 0.804 280 A CB -2.024 17.123 19.000 0.246 0.000 1.020 280 A HN 0.601 nan 8.150 nan 0.000 0.563 281 Q N -0.762 119.068 119.800 0.050 0.000 2.331 281 Q HA 0.125 4.464 4.340 -0.001 0.000 0.203 281 Q C 0.665 176.783 176.000 0.198 0.000 0.944 281 Q CA 1.344 57.070 55.803 -0.127 0.000 0.892 281 Q CB -0.144 28.271 28.738 -0.539 0.000 0.983 281 Q HN 1.258 nan 8.270 nan 0.000 0.482 282 T N -3.094 111.614 114.554 0.256 0.000 2.916 282 T HA 0.388 4.737 4.350 -0.001 0.000 0.298 282 T C -0.938 174.032 174.700 0.450 0.000 1.031 282 T CA -0.894 61.335 62.100 0.216 0.000 0.993 282 T CB 0.886 69.835 68.868 0.134 0.000 1.045 282 T HN 0.275 nan 8.240 nan 0.000 0.454 283 W N 1.232 122.602 121.300 0.116 0.000 2.966 283 W HA 0.358 5.018 4.660 -0.001 0.000 0.406 283 W C 1.470 178.047 176.519 0.097 0.000 1.027 283 W CA -1.289 56.114 57.345 0.096 0.000 1.930 283 W CB -1.232 28.293 29.460 0.109 0.000 1.144 283 W HN 0.719 nan 8.180 nan 0.000 0.626 284 S N 1.266 117.133 115.700 0.280 0.000 2.387 284 S HA -0.223 4.247 4.470 -0.001 0.000 0.230 284 S C 1.639 176.349 174.600 0.183 0.000 1.035 284 S CA 1.482 59.800 58.200 0.196 0.000 1.014 284 S CB -0.202 63.063 63.200 0.109 0.000 0.836 284 S HN 0.330 nan 8.310 nan 0.000 0.466 285 N N 1.797 120.587 118.700 0.149 0.000 2.520 285 N HA -0.016 4.723 4.740 -0.001 0.000 0.185 285 N C 1.177 176.745 175.510 0.096 0.000 1.068 285 N CA 0.743 53.856 53.050 0.105 0.000 0.911 285 N CB -0.257 38.270 38.487 0.067 0.000 0.961 285 N HN 0.666 nan 8.380 nan 0.000 0.446 286 I N -3.233 117.407 120.570 0.116 0.000 3.889 286 I HA 0.167 4.337 4.170 -0.001 0.000 0.332 286 I C 1.504 177.673 176.117 0.087 0.000 1.493 286 I CA -0.596 60.735 61.300 0.052 0.000 1.158 286 I CB -0.334 37.660 38.000 -0.011 0.000 1.117 286 I HN -0.222 nan 8.210 nan 0.000 0.411 287 Y N 3.575 123.902 120.300 0.046 0.000 2.151 287 Y HA -0.334 4.215 4.550 -0.001 0.000 0.284 287 Y C 2.302 178.218 175.900 0.026 0.000 1.166 287 Y CA 2.327 60.461 58.100 0.058 0.000 1.163 287 Y CB -0.176 38.320 38.460 0.061 0.000 0.974 287 Y HN 0.577 nan 8.280 nan 0.000 0.511 288 D N -0.125 120.263 120.400 -0.021 0.000 2.221 288 D HA -0.229 4.411 4.640 -0.001 0.000 0.204 288 D C 1.811 178.002 176.300 -0.182 0.000 0.982 288 D CA 1.603 55.537 54.000 -0.110 0.000 0.857 288 D CB -0.753 40.031 40.800 -0.027 0.000 0.934 288 D HN 0.507 nan 8.370 nan 0.000 0.475 289 L N 0.514 121.629 121.223 -0.178 0.000 2.446 289 L HA 0.025 4.364 4.340 -0.001 0.000 0.219 289 L C 2.034 178.789 176.870 -0.192 0.000 1.116 289 L CA 0.381 55.098 54.840 -0.204 0.000 0.844 289 L CB 0.301 42.217 42.059 -0.240 0.000 0.970 289 L HN 0.061 nan 8.230 nan 0.000 0.457 290 V N -4.412 115.386 119.914 -0.193 0.000 3.346 290 V HA 0.245 4.364 4.120 -0.001 0.000 0.309 290 V C 0.712 176.743 176.094 -0.105 0.000 1.457 290 V CA -0.494 61.726 62.300 -0.134 0.000 1.069 290 V CB 0.335 32.161 31.823 0.005 0.000 0.944 290 V HN -0.025 nan 8.190 nan 0.000 0.449 291 V N 3.700 123.387 119.914 -0.378 0.000 2.583 291 V HA 0.115 4.235 4.120 -0.001 0.000 0.302 291 V C -0.358 175.630 176.094 -0.177 0.000 1.033 291 V CA 0.216 62.231 62.300 -0.474 0.000 1.194 291 V CB 1.312 32.833 31.823 -0.504 0.000 0.879 291 V HN 0.410 nan 8.190 nan 0.000 0.482 292 P HA -0.048 nan 4.420 nan 0.000 0.215 292 P C -0.152 176.779 177.300 -0.615 0.000 1.157 292 P CA 1.490 64.310 63.100 -0.467 0.000 0.868 292 P CB 0.115 31.223 31.700 -0.987 0.000 0.788 293 F N -1.199 118.695 119.950 -0.094 0.000 2.564 293 F HA 0.309 4.836 4.527 -0.001 0.000 0.368 293 F C -1.518 174.249 175.800 -0.055 0.000 1.127 293 F CA -2.137 55.833 58.000 -0.050 0.000 1.170 293 F CB 1.185 40.129 39.000 -0.093 0.000 1.397 293 F HN -0.043 nan 8.300 nan 0.000 0.493 294 P HA -0.139 nan 4.420 nan 0.000 0.222 294 P C 1.282 178.617 177.300 0.057 0.000 1.147 294 P CA 1.089 64.210 63.100 0.035 0.000 0.790 294 P CB 0.350 32.053 31.700 0.005 0.000 0.780 295 S N -0.145 115.606 115.700 0.086 0.000 2.469 295 S HA 0.029 4.498 4.470 -0.001 0.000 0.238 295 S C 1.407 176.032 174.600 0.041 0.000 0.998 295 S CA 0.777 59.018 58.200 0.068 0.000 0.957 295 S CB -0.470 62.780 63.200 0.084 0.000 0.764 295 S HN 0.247 nan 8.310 nan 0.000 0.514 296 A N 3.269 126.099 122.820 0.016 0.000 2.880 296 A HA 0.449 4.769 4.320 -0.001 0.000 0.328 296 A C -2.311 175.286 177.584 0.020 0.000 1.440 296 A CA -1.677 50.324 52.037 -0.059 0.000 1.068 296 A CB -0.022 18.761 19.000 -0.362 0.000 1.163 296 A HN 0.167 nan 8.150 nan 0.000 0.510 297 P HA 0.355 nan 4.420 nan 0.000 0.269 297 P C -0.062 177.303 177.300 0.108 0.000 1.209 297 P CA 0.302 63.452 63.100 0.084 0.000 0.776 297 P CB 1.200 32.941 31.700 0.068 0.000 0.876 298 S N 3.083 118.858 115.700 0.126 0.000 2.472 298 S HA 0.522 4.991 4.470 -0.001 0.000 0.303 298 S C 0.419 175.067 174.600 0.079 0.000 1.099 298 S CA -1.015 57.254 58.200 0.115 0.000 1.077 298 S CB 0.604 63.884 63.200 0.133 0.000 1.031 298 S HN 0.398 nan 8.310 nan 0.000 0.487 299 M N 1.884 121.518 119.600 0.056 0.000 2.252 299 M HA 0.011 4.490 4.480 -0.001 0.000 0.321 299 M C 0.044 176.353 176.300 0.015 0.000 1.070 299 M CA 0.068 55.386 55.300 0.031 0.000 1.143 299 M CB 0.325 32.934 32.600 0.015 0.000 1.498 299 M HN 0.694 nan 8.290 nan 0.000 0.445 300 D N 1.906 122.310 120.400 0.006 0.000 2.416 300 D HA 0.051 4.690 4.640 -0.001 0.000 0.240 300 D C 0.661 176.939 176.300 -0.037 0.000 1.250 300 D CA 0.124 54.121 54.000 -0.004 0.000 0.967 300 D CB 0.666 41.465 40.800 -0.000 0.000 1.059 300 D HN 0.551 nan 8.370 nan 0.000 0.512 301 T N 2.023 116.546 114.554 -0.052 0.000 2.684 301 T HA -0.157 4.192 4.350 -0.001 0.000 0.267 301 T C 1.808 176.431 174.700 -0.128 0.000 1.036 301 T CA 1.557 63.596 62.100 -0.103 0.000 1.148 301 T CB -0.047 68.758 68.868 -0.105 0.000 0.863 301 T HN 0.401 nan 8.240 nan 0.000 0.436 302 T N 1.343 115.846 114.554 -0.085 0.000 2.708 302 T HA -0.051 4.298 4.350 -0.001 0.000 0.266 302 T C 2.552 177.213 174.700 -0.064 0.000 1.037 302 T CA 1.694 63.749 62.100 -0.075 0.000 1.146 302 T CB -0.587 68.260 68.868 -0.036 0.000 0.865 302 T HN 0.686 nan 8.240 nan 0.000 0.435 303 E N 1.211 121.385 120.200 -0.043 0.000 2.118 303 E HA 0.020 4.369 4.350 -0.001 0.000 0.195 303 E C 2.310 178.887 176.600 -0.038 0.000 0.992 303 E CA 1.536 57.921 56.400 -0.026 0.000 0.804 303 E CB -1.072 28.621 29.700 -0.013 0.000 0.741 303 E HN 0.632 nan 8.360 nan 0.000 0.458 304 A N 0.201 122.978 122.820 -0.072 0.000 1.873 304 A HA -0.018 4.301 4.320 -0.001 0.000 0.215 304 A C 2.554 180.059 177.584 -0.132 0.000 1.186 304 A CA 1.924 53.906 52.037 -0.091 0.000 0.616 304 A CB -0.376 18.550 19.000 -0.123 0.000 0.823 304 A HN 0.513 nan 8.150 nan 0.000 0.442 305 M N -0.591 118.856 119.600 -0.255 0.000 2.080 305 M HA -0.149 4.331 4.480 -0.001 0.000 0.260 305 M C 2.161 178.462 176.300 0.001 0.000 1.068 305 M CA 1.562 56.637 55.300 -0.375 0.000 1.109 305 M CB -0.572 31.774 32.600 -0.423 0.000 1.342 305 M HN 0.373 nan 8.290 nan 0.000 0.405 306 L N 0.275 121.504 121.223 0.009 0.000 2.056 306 L HA -0.191 4.148 4.340 -0.001 0.000 0.207 306 L C 3.152 180.065 176.870 0.073 0.000 1.078 306 L CA 1.648 56.526 54.840 0.064 0.000 0.749 306 L CB -1.189 40.891 42.059 0.035 0.000 0.901 306 L HN 0.309 nan 8.230 nan 0.000 0.433 307 K N 0.814 121.240 120.400 0.044 0.000 2.160 307 K HA -0.190 4.129 4.320 -0.001 0.000 0.206 307 K C 1.540 178.186 176.600 0.077 0.000 1.047 307 K CA 1.859 58.174 56.287 0.046 0.000 0.930 307 K CB -0.912 31.602 32.500 0.023 0.000 0.720 307 K HN 0.736 nan 8.250 nan 0.000 0.450 308 Q N -1.398 118.480 119.800 0.131 0.000 2.302 308 Q HA 0.417 4.756 4.340 -0.001 0.000 0.332 308 Q C 0.650 176.789 176.000 0.233 0.000 0.913 308 Q CA -0.243 55.665 55.803 0.175 0.000 1.098 308 Q CB -0.208 28.651 28.738 0.202 0.000 1.236 308 Q HN 0.459 nan 8.270 nan 0.000 0.436 309 G N 1.066 109.974 108.800 0.181 0.000 2.379 309 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.297 309 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.297 309 G C -0.569 174.447 174.900 0.193 0.000 1.004 309 G CA -0.082 45.109 45.100 0.152 0.000 0.921 309 G HN 0.523 nan 8.290 nan 0.000 0.511 310 W N 0.351 121.667 121.300 0.026 0.000 2.181 310 W HA 0.519 5.178 4.660 -0.001 0.000 0.335 310 W C 1.219 177.769 176.519 0.052 0.000 1.310 310 W CA 0.642 58.010 57.345 0.038 0.000 1.226 310 W CB 0.786 30.269 29.460 0.039 0.000 1.155 310 W HN 0.505 nan 8.180 nan 0.000 0.565 311 T N 0.153 114.833 114.554 0.211 0.000 2.907 311 T HA 0.421 4.770 4.350 -0.001 0.000 0.290 311 T C -2.208 172.631 174.700 0.233 0.000 1.066 311 T CA -2.143 60.065 62.100 0.180 0.000 1.012 311 T CB 2.157 71.088 68.868 0.104 0.000 1.184 311 T HN 0.003 nan 8.240 nan 0.000 0.522 312 P HA -0.044 nan 4.420 nan 0.000 0.216 312 P C 1.630 179.215 177.300 0.475 0.000 1.150 312 P CA 0.889 64.202 63.100 0.355 0.000 0.843 312 P CB 0.111 32.001 31.700 0.316 0.000 0.787 313 R N -0.648 120.051 120.500 0.332 0.000 2.081 313 R HA -0.112 4.228 4.340 -0.001 0.000 0.235 313 R C 2.399 178.856 176.300 0.261 0.000 1.131 313 R CA 1.060 57.362 56.100 0.338 0.000 0.960 313 R CB -0.252 30.140 30.300 0.154 0.000 0.856 313 R HN -0.071 nan 8.270 nan 0.000 0.436 314 R N 0.615 121.179 120.500 0.107 0.000 2.083 314 R HA -0.125 4.215 4.340 -0.001 0.000 0.237 314 R C 2.174 178.497 176.300 0.038 0.000 1.137 314 R CA 1.812 57.870 56.100 -0.071 0.000 0.951 314 R CB -0.583 29.534 30.300 -0.306 0.000 0.851 314 R HN 0.313 nan 8.270 nan 0.000 0.434 315 M N -0.896 118.833 119.600 0.215 0.000 2.082 315 M HA -0.195 4.284 4.480 -0.001 0.000 0.258 315 M C 2.072 178.448 176.300 0.126 0.000 1.069 315 M CA 1.881 57.331 55.300 0.251 0.000 1.102 315 M CB -0.458 32.262 32.600 0.200 0.000 1.336 315 M HN 0.001 nan 8.290 nan 0.000 0.404 316 F N 0.149 120.273 119.950 0.290 0.000 2.325 316 F HA -0.110 4.416 4.527 -0.001 0.000 0.299 316 F C 2.382 178.433 175.800 0.418 0.000 1.090 316 F CA 0.949 59.152 58.000 0.337 0.000 1.392 316 F CB -0.371 38.915 39.000 0.478 0.000 1.053 316 F HN -0.036 nan 8.300 nan 0.000 0.521 317 K N 0.302 121.014 120.400 0.519 0.000 2.097 317 K HA -0.120 4.200 4.320 -0.001 0.000 0.205 317 K C 1.945 178.679 176.600 0.224 0.000 1.050 317 K CA 1.014 57.490 56.287 0.315 0.000 0.938 317 K CB -0.362 32.146 32.500 0.013 0.000 0.718 317 K HN 0.218 nan 8.250 nan 0.000 0.442 318 E N 0.710 121.014 120.200 0.175 0.000 2.077 318 E HA -0.111 4.238 4.350 -0.001 0.000 0.193 318 E C 1.992 178.756 176.600 0.273 0.000 0.989 318 E CA 1.083 57.611 56.400 0.214 0.000 0.800 318 E CB -0.215 29.651 29.700 0.278 0.000 0.746 318 E HN 0.241 nan 8.360 nan 0.000 0.452 319 A N 1.382 124.259 122.820 0.095 0.000 1.902 319 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 319 A C 2.047 179.801 177.584 0.284 0.000 1.181 319 A CA 1.991 53.950 52.037 -0.130 0.000 0.623 319 A CB -0.662 17.991 19.000 -0.577 0.000 0.818 319 A HN 0.227 nan 8.150 nan 0.000 0.443 320 D N -0.349 120.226 120.400 0.292 0.000 2.123 320 D HA -0.198 4.441 4.640 -0.001 0.000 0.196 320 D C 1.609 178.102 176.300 0.322 0.000 0.992 320 D CA 1.657 55.839 54.000 0.303 0.000 0.833 320 D CB -0.240 40.763 40.800 0.338 0.000 0.954 320 D HN 0.515 nan 8.370 nan 0.000 0.455 321 D N -1.512 119.066 120.400 0.297 0.000 2.117 321 D HA -0.182 4.457 4.640 -0.001 0.000 0.197 321 D C 1.888 178.374 176.300 0.311 0.000 0.987 321 D CA 0.783 54.941 54.000 0.262 0.000 0.829 321 D CB -0.364 40.578 40.800 0.236 0.000 0.961 321 D HN 0.317 nan 8.370 nan 0.000 0.460 322 F N -0.633 119.475 119.950 0.264 0.000 2.102 322 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 322 F C 1.741 177.532 175.800 -0.015 0.000 1.105 322 F CA 1.136 59.258 58.000 0.203 0.000 1.239 322 F CB -0.164 38.926 39.000 0.150 0.000 0.991 322 F HN -0.034 nan 8.300 nan 0.000 0.474 323 F N 0.448 120.592 119.950 0.324 0.000 2.095 323 F HA -0.271 4.255 4.527 -0.001 0.000 0.298 323 F C 2.835 178.665 175.800 0.050 0.000 1.104 323 F CA 2.003 60.089 58.000 0.143 0.000 1.232 323 F CB -1.236 37.780 39.000 0.027 0.000 0.987 323 F HN 0.017 nan 8.300 nan 0.000 0.475 324 T N -2.744 111.940 114.554 0.217 0.000 2.915 324 T HA -0.182 4.167 4.350 -0.001 0.000 0.269 324 T C 2.111 176.802 174.700 -0.016 0.000 1.071 324 T CA 1.130 63.281 62.100 0.086 0.000 1.132 324 T CB -0.929 67.985 68.868 0.076 0.000 0.878 324 T HN 0.339 nan 8.240 nan 0.000 0.479 325 S N 1.901 117.542 115.700 -0.097 0.000 2.419 325 S HA 0.050 4.519 4.470 -0.001 0.000 0.233 325 S C 1.905 176.332 174.600 -0.288 0.000 1.016 325 S CA 0.636 58.636 58.200 -0.335 0.000 0.974 325 S CB -0.898 61.786 63.200 -0.860 0.000 0.786 325 S HN 0.585 nan 8.310 nan 0.000 0.492 326 L N 0.876 122.006 121.223 -0.154 0.000 2.599 326 L HA 0.297 4.637 4.340 -0.001 0.000 0.230 326 L C 1.905 178.744 176.870 -0.052 0.000 1.141 326 L CA 0.386 55.171 54.840 -0.092 0.000 0.877 326 L CB -0.714 41.338 42.059 -0.012 0.000 1.009 326 L HN 0.638 nan 8.230 nan 0.000 0.447 327 G N 0.128 108.902 108.800 -0.043 0.000 2.157 327 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.248 327 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.248 327 G C 0.282 175.181 174.900 -0.000 0.000 0.979 327 G CA -0.096 44.989 45.100 -0.026 0.000 0.650 327 G HN 0.216 nan 8.290 nan 0.000 0.529 328 L N -0.005 121.239 121.223 0.036 0.000 2.490 328 L HA 0.569 4.908 4.340 -0.001 0.000 0.245 328 L C 1.443 178.328 176.870 0.025 0.000 1.185 328 L CA -1.020 53.849 54.840 0.050 0.000 0.813 328 L CB 0.333 42.487 42.059 0.159 0.000 1.233 328 L HN 0.038 nan 8.230 nan 0.000 0.489 329 L N 2.124 123.327 121.223 -0.034 0.000 2.397 329 L HA 0.270 4.610 4.340 -0.001 0.000 0.271 329 L C -2.061 174.753 176.870 -0.093 0.000 1.148 329 L CA -1.591 53.207 54.840 -0.071 0.000 0.825 329 L CB 0.296 42.279 42.059 -0.126 0.000 1.117 329 L HN 0.345 nan 8.230 nan 0.000 0.456 330 P HA 0.169 nan 4.420 nan 0.000 0.284 330 P C -0.714 176.508 177.300 -0.129 0.000 1.258 330 P CA -0.484 62.591 63.100 -0.041 0.000 0.824 330 P CB 1.582 33.307 31.700 0.041 0.000 1.038 331 V N -0.897 118.883 119.914 -0.223 0.000 2.715 331 V HA 0.283 4.403 4.120 -0.001 0.000 0.299 331 V C -2.372 173.654 176.094 -0.114 0.000 1.054 331 V CA -1.816 60.251 62.300 -0.388 0.000 1.077 331 V CB -0.855 30.341 31.823 -1.046 0.000 0.972 331 V HN 0.419 nan 8.190 nan 0.000 0.484 332 P HA 0.256 nan 4.420 nan 0.000 0.269 332 P C -2.172 175.235 177.300 0.179 0.000 1.215 332 P CA -1.250 61.920 63.100 0.117 0.000 0.780 332 P CB -0.058 31.748 31.700 0.178 0.000 0.898 333 P HA -0.216 nan 4.420 nan 0.000 0.216 333 P C 1.357 178.805 177.300 0.247 0.000 1.150 333 P CA 1.373 64.658 63.100 0.308 0.000 0.843 333 P CB -0.068 31.742 31.700 0.183 0.000 0.787 334 E N -1.373 118.901 120.200 0.125 0.000 2.209 334 E HA -0.231 4.118 4.350 -0.001 0.000 0.196 334 E C 1.734 178.328 176.600 -0.010 0.000 0.993 334 E CA 0.663 57.079 56.400 0.028 0.000 0.819 334 E CB -0.600 29.078 29.700 -0.036 0.000 0.745 334 E HN 0.173 nan 8.360 nan 0.000 0.477 335 F N -0.206 119.653 119.950 -0.151 0.000 2.095 335 F HA -0.182 4.344 4.527 -0.001 0.000 0.298 335 F C 1.409 177.013 175.800 -0.326 0.000 1.104 335 F CA 1.863 59.681 58.000 -0.304 0.000 1.232 335 F CB -0.431 38.279 39.000 -0.483 0.000 0.987 335 F HN 0.081 nan 8.300 nan 0.000 0.475 336 W N 0.537 121.911 121.300 0.123 0.000 2.425 336 W HA -0.137 4.522 4.660 -0.001 0.000 0.277 336 W C 2.499 178.947 176.519 -0.118 0.000 1.231 336 W CA 0.962 58.302 57.345 -0.009 0.000 1.248 336 W CB -0.692 28.831 29.460 0.106 0.000 1.117 336 W HN 0.113 nan 8.180 nan 0.000 0.568 337 N N 0.928 119.674 118.700 0.076 0.000 2.290 337 N HA -0.093 4.647 4.740 -0.001 0.000 0.179 337 N C 1.274 176.715 175.510 -0.114 0.000 1.016 337 N CA 1.066 54.112 53.050 -0.006 0.000 0.871 337 N CB 0.033 38.517 38.487 -0.005 0.000 0.987 337 N HN 0.225 nan 8.380 nan 0.000 0.431 338 K N -0.028 120.232 120.400 -0.233 0.000 2.354 338 K HA 0.199 4.518 4.320 -0.001 0.000 0.194 338 K C 0.433 176.833 176.600 -0.334 0.000 1.045 338 K CA -0.176 55.915 56.287 -0.327 0.000 1.026 338 K CB 0.601 32.794 32.500 -0.512 0.000 0.866 338 K HN -0.054 nan 8.250 nan 0.000 0.530 339 S N 1.334 116.777 115.700 -0.429 0.000 2.579 339 S HA 0.140 4.609 4.470 -0.001 0.000 0.275 339 S C -0.051 174.477 174.600 -0.119 0.000 1.345 339 S CA -0.177 57.797 58.200 -0.377 0.000 1.031 339 S CB 0.677 63.315 63.200 -0.937 0.000 0.892 339 S HN 0.196 nan 8.310 nan 0.000 0.529 340 M N 4.056 123.661 119.600 0.009 0.000 2.131 340 M HA 0.318 4.797 4.480 -0.001 0.000 0.345 340 M C -0.708 175.538 176.300 -0.089 0.000 1.060 340 M CA -0.332 54.947 55.300 -0.036 0.000 1.011 340 M CB -0.237 32.313 32.600 -0.082 0.000 1.328 340 M HN 0.610 nan 8.290 nan 0.000 0.396 341 L N 2.164 123.321 121.223 -0.109 0.000 2.592 341 L HA 0.286 4.626 4.340 -0.001 0.000 0.227 341 L C 0.194 177.098 176.870 0.058 0.000 1.127 341 L CA 0.387 55.175 54.840 -0.087 0.000 0.884 341 L CB -0.050 41.913 42.059 -0.159 0.000 1.065 341 L HN 0.626 nan 8.230 nan 0.000 0.457 342 E N 0.249 120.468 120.200 0.031 0.000 2.343 342 E HA 0.271 4.620 4.350 -0.001 0.000 0.270 342 E C -0.917 175.692 176.600 0.016 0.000 0.895 342 E CA -0.884 55.545 56.400 0.048 0.000 0.767 342 E CB 2.566 32.296 29.700 0.050 0.000 1.248 342 E HN -0.077 nan 8.360 nan 0.000 0.440 343 K N 2.622 123.034 120.400 0.021 0.000 2.416 343 K HA 0.162 4.482 4.320 -0.001 0.000 0.283 343 K C -2.352 174.244 176.600 -0.007 0.000 1.037 343 K CA -1.290 54.997 56.287 0.000 0.000 0.995 343 K CB 0.258 32.764 32.500 0.010 0.000 0.938 343 K HN 0.101 nan 8.250 nan 0.000 0.475 344 P HA -0.009 nan 4.420 nan 0.000 0.269 344 P C -0.590 176.702 177.300 -0.013 0.000 1.209 344 P CA -0.021 63.064 63.100 -0.024 0.000 0.776 344 P CB 0.767 32.440 31.700 -0.046 0.000 0.876 345 T N -2.771 111.779 114.554 -0.006 0.000 3.415 345 T HA 0.245 4.594 4.350 -0.001 0.000 0.282 345 T C -0.090 174.609 174.700 -0.002 0.000 1.007 345 T CA -0.381 61.719 62.100 -0.001 0.000 0.958 345 T CB -0.860 68.012 68.868 0.006 0.000 1.171 345 T HN 0.317 nan 8.240 nan 0.000 0.500 346 D N -0.498 119.897 120.400 -0.007 0.000 2.538 346 D HA 0.415 5.055 4.640 -0.001 0.000 0.231 346 D C 1.591 177.886 176.300 -0.007 0.000 1.229 346 D CA -0.036 53.960 54.000 -0.006 0.000 0.828 346 D CB -0.106 40.689 40.800 -0.008 0.000 1.035 346 D HN 0.434 nan 8.370 nan 0.000 0.495 347 G N 1.131 109.927 108.800 -0.007 0.000 2.217 347 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.246 347 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.246 347 G C 0.304 175.197 174.900 -0.013 0.000 0.990 347 G CA 0.003 45.100 45.100 -0.006 0.000 0.627 347 G HN 0.686 nan 8.290 nan 0.000 0.522 348 R N 0.649 121.134 120.500 -0.024 0.000 2.404 348 R HA 0.715 5.054 4.340 -0.001 0.000 0.291 348 R C -0.278 175.992 176.300 -0.051 0.000 1.025 348 R CA -0.510 55.567 56.100 -0.039 0.000 0.991 348 R CB 1.415 31.684 30.300 -0.052 0.000 1.053 348 R HN 0.266 nan 8.270 nan 0.000 0.479 349 E N 2.257 122.421 120.200 -0.060 0.000 2.266 349 E HA 0.320 4.670 4.350 -0.001 0.000 0.277 349 E C -0.613 175.915 176.600 -0.119 0.000 1.018 349 E CA -0.780 55.581 56.400 -0.066 0.000 0.840 349 E CB 1.468 31.139 29.700 -0.048 0.000 1.082 349 E HN 0.544 nan 8.360 nan 0.000 0.395 350 V N 0.487 120.335 119.914 -0.110 0.000 3.182 350 V HA 0.575 4.694 4.120 -0.001 0.000 0.308 350 V C -0.918 175.121 176.094 -0.092 0.000 1.240 350 V CA -1.050 61.155 62.300 -0.158 0.000 1.063 350 V CB 1.835 33.556 31.823 -0.170 0.000 1.076 350 V HN 0.398 nan 8.190 nan 0.000 0.446 351 V N 1.232 121.091 119.914 -0.091 0.000 2.353 351 V HA 0.165 4.284 4.120 -0.001 0.000 0.264 351 V C 1.115 177.233 176.094 0.040 0.000 1.049 351 V CA 0.178 62.504 62.300 0.044 0.000 0.896 351 V CB 0.115 32.005 31.823 0.112 0.000 1.025 351 V HN 1.125 nan 8.190 nan 0.000 0.475 352 c N 3.108 121.748 118.600 0.067 0.000 2.457 352 c HA -0.044 4.526 4.570 -0.001 0.000 0.278 352 c C 1.647 175.756 174.090 0.031 0.000 1.309 352 c CA 0.170 56.521 56.329 0.037 0.000 1.735 352 c CB -1.013 41.517 42.510 0.035 0.000 1.992 352 c HN 0.954 nan 8.230 nan 0.000 0.493 353 H N 1.085 120.112 119.070 -0.071 0.000 3.243 353 H HA 0.252 4.807 4.556 -0.001 0.000 0.267 353 H C 0.672 175.901 175.328 -0.164 0.000 0.875 353 H CA 0.432 56.317 56.048 -0.272 0.000 1.413 353 H CB 0.139 29.344 29.762 -0.929 0.000 1.459 353 H HN 0.509 nan 8.280 nan 0.000 0.536 354 A N 4.746 127.405 122.820 -0.269 0.000 2.584 354 A HA 0.331 4.651 4.320 -0.001 0.000 0.239 354 A C 0.081 177.751 177.584 0.144 0.000 1.043 354 A CA 0.754 52.786 52.037 -0.007 0.000 0.756 354 A CB -0.141 18.870 19.000 0.018 0.000 0.963 354 A HN 0.902 nan 8.150 nan 0.000 0.511 355 S N 0.497 116.385 115.700 0.313 0.000 2.547 355 S HA 0.778 5.247 4.470 -0.001 0.000 0.270 355 S C -0.630 174.302 174.600 0.552 0.000 1.150 355 S CA -0.235 58.193 58.200 0.380 0.000 0.850 355 S CB 1.374 64.775 63.200 0.335 0.000 1.118 355 S HN 2.127 nan 8.310 nan 0.000 0.461 356 A N 0.874 123.958 122.820 0.440 0.000 2.324 356 A HA 0.795 5.114 4.320 -0.001 0.000 0.330 356 A C -1.617 176.352 177.584 0.642 0.000 1.165 356 A CA -0.691 51.714 52.037 0.613 0.000 0.813 356 A CB 0.373 19.633 19.000 0.433 0.000 1.197 356 A HN 0.723 nan 8.150 nan 0.000 0.484 357 W N 0.795 122.400 121.300 0.508 0.000 2.702 357 W HA 0.509 5.169 4.660 -0.001 0.000 0.331 357 W C -0.683 175.829 176.519 -0.012 0.000 1.049 357 W CA -0.440 57.032 57.345 0.211 0.000 1.230 357 W CB 1.683 31.268 29.460 0.209 0.000 1.408 357 W HN 0.639 nan 8.180 nan 0.000 0.492 358 D N 1.857 121.941 120.400 -0.527 0.000 2.344 358 D HA 0.261 4.901 4.640 -0.001 0.000 0.239 358 D C -0.420 175.412 176.300 -0.780 0.000 1.064 358 D CA -0.566 52.936 54.000 -0.830 0.000 0.829 358 D CB 0.893 40.688 40.800 -1.675 0.000 1.129 358 D HN 0.184 nan 8.370 nan 0.000 0.506 359 F N 2.857 122.543 119.950 -0.439 0.000 2.664 359 F HA 0.135 4.661 4.527 -0.001 0.000 0.301 359 F C 0.407 176.207 175.800 0.001 0.000 1.126 359 F CA -0.418 57.480 58.000 -0.170 0.000 1.373 359 F CB -0.624 38.267 39.000 -0.182 0.000 1.042 359 F HN 0.374 nan 8.300 nan 0.000 0.535 360 Y N -0.085 120.220 120.300 0.009 0.000 3.491 360 Y HA -0.341 4.209 4.550 -0.001 0.000 0.215 360 Y C 0.939 176.828 175.900 -0.019 0.000 1.219 360 Y CA 0.379 58.496 58.100 0.028 0.000 1.485 360 Y CB -2.511 36.007 38.460 0.097 0.000 1.450 360 Y HN 0.379 nan 8.280 nan 0.000 0.603 361 N N -1.032 117.677 118.700 0.015 0.000 2.194 361 N HA 0.329 5.069 4.740 -0.001 0.000 0.231 361 N C 1.253 176.732 175.510 -0.051 0.000 1.247 361 N CA 0.311 53.350 53.050 -0.018 0.000 0.884 361 N CB 0.560 39.021 38.487 -0.042 0.000 1.146 361 N HN 0.528 nan 8.380 nan 0.000 0.516 362 G N 0.392 109.164 108.800 -0.047 0.000 2.180 362 G HA2 -0.388 3.571 3.960 -0.001 0.000 0.263 362 G HA3 -0.388 3.571 3.960 -0.001 0.000 0.263 362 G C 0.911 175.831 174.900 0.033 0.000 0.989 362 G CA 1.287 46.444 45.100 0.095 0.000 0.692 362 G HN 0.498 nan 8.290 nan 0.000 0.526 363 K N -0.798 119.418 120.400 -0.307 0.000 2.556 363 K HA 0.198 4.518 4.320 -0.001 0.000 0.201 363 K C 0.161 176.469 176.600 -0.488 0.000 1.423 363 K CA 0.391 56.548 56.287 -0.217 0.000 1.010 363 K CB 0.455 32.886 32.500 -0.115 0.000 1.409 363 K HN 0.157 nan 8.250 nan 0.000 0.538 364 D N 0.585 120.558 120.400 -0.710 0.000 2.396 364 D HA 0.239 4.878 4.640 -0.001 0.000 0.225 364 D C -1.246 174.631 176.300 -0.705 0.000 1.121 364 D CA -0.252 53.376 54.000 -0.621 0.000 0.853 364 D CB 0.132 40.604 40.800 -0.547 0.000 1.043 364 D HN -0.099 nan 8.370 nan 0.000 0.500 365 F N 2.678 122.667 119.950 0.066 0.000 2.565 365 F HA 0.581 5.108 4.527 -0.001 0.000 0.313 365 F C 0.599 176.537 175.800 0.229 0.000 1.091 365 F CA -0.987 57.163 58.000 0.249 0.000 0.915 365 F CB 1.779 40.948 39.000 0.281 0.000 1.208 365 F HN -0.015 nan 8.300 nan 0.000 0.453 366 R N 2.136 122.918 120.500 0.471 0.000 2.764 366 R HA 0.757 5.096 4.340 -0.001 0.000 0.270 366 R C -1.756 174.781 176.300 0.396 0.000 1.014 366 R CA -1.051 55.127 56.100 0.129 0.000 0.904 366 R CB 2.851 32.902 30.300 -0.416 0.000 1.236 366 R HN 0.583 nan 8.270 nan 0.000 0.466 367 I N 1.075 121.732 120.570 0.145 0.000 2.509 367 I HA 0.356 4.525 4.170 -0.001 0.000 0.293 367 I C -0.606 175.641 176.117 0.217 0.000 1.020 367 I CA -0.759 60.724 61.300 0.304 0.000 1.088 367 I CB 2.172 40.308 38.000 0.227 0.000 1.267 367 I HN 0.366 nan 8.210 nan 0.000 0.430 368 K N 6.738 127.303 120.400 0.274 0.000 2.507 368 K HA 0.456 4.776 4.320 -0.001 0.000 0.253 368 K C -1.287 175.373 176.600 0.100 0.000 0.969 368 K CA -0.430 55.883 56.287 0.044 0.000 0.908 368 K CB 1.270 33.645 32.500 -0.208 0.000 1.127 368 K HN 0.657 nan 8.250 nan 0.000 0.437 369 Q N 3.917 123.756 119.800 0.064 0.000 2.281 369 Q HA 0.247 4.586 4.340 -0.001 0.000 0.263 369 Q C -1.487 174.564 176.000 0.084 0.000 0.989 369 Q CA -0.733 55.137 55.803 0.112 0.000 0.852 369 Q CB 1.665 30.559 28.738 0.260 0.000 1.337 369 Q HN 0.754 nan 8.270 nan 0.000 0.418 370 c N 3.796 122.429 118.600 0.055 0.000 2.615 370 c HA 0.232 4.801 4.570 -0.001 0.000 0.503 370 c C 0.443 174.584 174.090 0.084 0.000 1.039 370 c CA -0.274 56.085 56.329 0.049 0.000 1.226 370 c CB -1.804 40.720 42.510 0.022 0.000 1.447 370 c HN 0.619 nan 8.230 nan 0.000 0.572 371 T N 2.730 117.370 114.554 0.143 0.000 2.905 371 T HA 0.088 4.437 4.350 -0.001 0.000 0.299 371 T C 0.611 175.390 174.700 0.131 0.000 1.024 371 T CA 0.854 63.064 62.100 0.184 0.000 1.151 371 T CB 0.319 69.380 68.868 0.322 0.000 0.987 371 T HN 0.591 nan 8.240 nan 0.000 0.535 372 T N 2.785 117.402 114.554 0.105 0.000 2.855 372 T HA 0.367 4.716 4.350 -0.001 0.000 0.281 372 T C 0.181 174.933 174.700 0.088 0.000 1.007 372 T CA -0.646 61.502 62.100 0.080 0.000 1.009 372 T CB 1.302 70.200 68.868 0.049 0.000 0.983 372 T HN 0.345 nan 8.240 nan 0.000 0.455 373 V N 5.680 125.647 119.914 0.089 0.000 2.326 373 V HA 0.330 4.449 4.120 -0.001 0.000 0.249 373 V C -0.007 176.109 176.094 0.038 0.000 1.114 373 V CA -0.443 61.913 62.300 0.094 0.000 1.028 373 V CB -1.411 30.486 31.823 0.123 0.000 1.170 373 V HN 0.987 nan 8.190 nan 0.000 0.494 374 N N 2.874 121.582 118.700 0.013 0.000 3.046 374 N HA 0.260 4.999 4.740 -0.001 0.000 0.243 374 N C 0.125 175.604 175.510 -0.053 0.000 1.452 374 N CA -0.955 52.075 53.050 -0.033 0.000 0.882 374 N CB 1.233 39.712 38.487 -0.015 0.000 1.425 374 N HN 0.113 nan 8.380 nan 0.000 0.517 375 L N -0.243 120.933 121.223 -0.079 0.000 2.046 375 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 375 L C 2.103 178.943 176.870 -0.050 0.000 1.077 375 L CA 1.767 56.557 54.840 -0.084 0.000 0.747 375 L CB -0.199 41.807 42.059 -0.089 0.000 0.896 375 L HN 0.840 nan 8.230 nan 0.000 0.432 376 E N -0.238 119.943 120.200 -0.032 0.000 2.085 376 E HA -0.303 4.047 4.350 -0.001 0.000 0.194 376 E C 1.482 178.073 176.600 -0.015 0.000 0.994 376 E CA 1.810 58.197 56.400 -0.022 0.000 0.801 376 E CB 0.092 29.788 29.700 -0.006 0.000 0.743 376 E HN 0.427 nan 8.360 nan 0.000 0.453 377 D N -0.421 119.978 120.400 -0.002 0.000 2.317 377 D HA -0.080 4.559 4.640 -0.001 0.000 0.211 377 D C 1.641 177.945 176.300 0.006 0.000 0.966 377 D CA 0.097 54.105 54.000 0.012 0.000 0.876 377 D CB 0.110 40.932 40.800 0.037 0.000 0.927 377 D HN 0.134 nan 8.370 nan 0.000 0.519 378 L N -0.186 121.044 121.223 0.012 0.000 2.109 378 L HA -0.069 4.270 4.340 -0.001 0.000 0.207 378 L C 1.951 178.891 176.870 0.116 0.000 1.086 378 L CA 1.257 56.133 54.840 0.059 0.000 0.760 378 L CB -0.319 41.770 42.059 0.050 0.000 0.910 378 L HN -0.104 nan 8.230 nan 0.000 0.437 379 V N -1.362 118.560 119.914 0.014 0.000 2.358 379 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 379 V C 2.491 178.620 176.094 0.059 0.000 1.047 379 V CA 1.500 63.786 62.300 -0.023 0.000 1.035 379 V CB -0.406 31.364 31.823 -0.088 0.000 0.658 379 V HN 0.307 nan 8.190 nan 0.000 0.452 380 V N 0.524 120.460 119.914 0.037 0.000 2.332 380 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 380 V C 2.743 178.914 176.094 0.128 0.000 1.055 380 V CA 2.043 64.386 62.300 0.072 0.000 1.038 380 V CB -1.188 30.653 31.823 0.030 0.000 0.651 380 V HN 0.561 nan 8.190 nan 0.000 0.450 381 A N -0.709 122.104 122.820 -0.012 0.000 1.908 381 A HA -0.287 4.032 4.320 -0.001 0.000 0.218 381 A C 2.000 179.545 177.584 -0.066 0.000 1.181 381 A CA 2.350 54.221 52.037 -0.276 0.000 0.627 381 A CB -0.789 17.672 19.000 -0.899 0.000 0.818 381 A HN 0.689 nan 8.150 nan 0.000 0.445 382 H N -2.181 116.873 119.070 -0.027 0.000 2.357 382 H HA -0.086 4.469 4.556 -0.001 0.000 0.301 382 H C 1.999 177.376 175.328 0.082 0.000 1.082 382 H CA 1.764 57.838 56.048 0.043 0.000 1.342 382 H CB -0.377 29.339 29.762 -0.076 0.000 1.389 382 H HN 0.808 nan 8.280 nan 0.000 0.511 383 H N 0.828 119.960 119.070 0.104 0.000 2.289 383 H HA -0.125 4.431 4.556 -0.001 0.000 0.296 383 H C 1.858 177.203 175.328 0.029 0.000 1.091 383 H CA 1.941 58.008 56.048 0.030 0.000 1.274 383 H CB 0.247 30.034 29.762 0.041 0.000 1.364 383 H HN 0.235 nan 8.280 nan 0.000 0.490 384 E N -0.019 120.321 120.200 0.233 0.000 2.106 384 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 384 E C 2.237 178.935 176.600 0.163 0.000 0.984 384 E CA 0.767 57.351 56.400 0.306 0.000 0.806 384 E CB -0.163 29.817 29.700 0.467 0.000 0.750 384 E HN 0.578 nan 8.360 nan 0.000 0.458 385 M N -0.025 119.646 119.600 0.119 0.000 2.296 385 M HA -0.032 4.447 4.480 -0.001 0.000 0.265 385 M C 2.206 178.302 176.300 -0.339 0.000 1.064 385 M CA 1.081 56.332 55.300 -0.082 0.000 1.109 385 M CB -1.147 31.445 32.600 -0.013 0.000 1.396 385 M HN 0.101 nan 8.290 nan 0.000 0.430 386 G N -0.701 108.022 108.800 -0.129 0.000 2.408 386 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 386 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 386 G C 1.393 176.122 174.900 -0.286 0.000 1.150 386 G CA 0.553 45.574 45.100 -0.133 0.000 0.776 386 G HN 0.421 nan 8.290 nan 0.000 0.542 387 H N 0.531 119.462 119.070 -0.232 0.000 2.321 387 H HA -0.009 4.546 4.556 -0.001 0.000 0.300 387 H C 2.776 177.612 175.328 -0.820 0.000 1.087 387 H CA 0.970 56.797 56.048 -0.368 0.000 1.319 387 H CB -0.152 29.403 29.762 -0.344 0.000 1.379 387 H HN 0.187 nan 8.280 nan 0.000 0.501 388 I N 1.014 121.330 120.570 -0.423 0.000 2.208 388 I HA -0.251 3.918 4.170 -0.001 0.000 0.245 388 I C 2.587 178.388 176.117 -0.527 0.000 1.097 388 I CA 1.169 62.246 61.300 -0.371 0.000 1.363 388 I CB -1.026 36.822 38.000 -0.252 0.000 1.051 388 I HN 0.217 nan 8.210 nan 0.000 0.413 389 Q N 0.547 119.983 119.800 -0.607 0.000 2.061 389 Q HA -0.240 4.099 4.340 -0.001 0.000 0.204 389 Q C 2.334 178.062 176.000 -0.453 0.000 0.984 389 Q CA 1.832 57.273 55.803 -0.603 0.000 0.846 389 Q CB -0.682 27.604 28.738 -0.753 0.000 0.902 389 Q HN 0.554 nan 8.270 nan 0.000 0.421 390 Y N -0.728 119.235 120.300 -0.563 0.000 2.145 390 Y HA -0.258 4.292 4.550 -0.001 0.000 0.286 390 Y C 1.809 177.155 175.900 -0.923 0.000 1.145 390 Y CA 1.349 59.054 58.100 -0.658 0.000 1.148 390 Y CB -0.140 37.828 38.460 -0.820 0.000 0.981 390 Y HN 0.183 nan 8.280 nan 0.000 0.507 391 F N -0.591 119.059 119.950 -0.500 0.000 2.091 391 F HA -0.401 4.125 4.527 -0.001 0.000 0.299 391 F C 2.413 177.903 175.800 -0.516 0.000 1.103 391 F CA 1.090 58.781 58.000 -0.515 0.000 1.228 391 F CB -0.392 38.538 39.000 -0.116 0.000 0.984 391 F HN 0.104 nan 8.300 nan 0.000 0.477 392 M N -0.575 118.747 119.600 -0.462 0.000 2.175 392 M HA -0.193 4.286 4.480 -0.001 0.000 0.264 392 M C 2.201 178.394 176.300 -0.178 0.000 1.063 392 M CA 1.284 56.328 55.300 -0.427 0.000 1.119 392 M CB -0.523 31.747 32.600 -0.550 0.000 1.377 392 M HN 0.128 nan 8.290 nan 0.000 0.415 393 Q N 0.140 119.810 119.800 -0.217 0.000 2.124 393 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 393 Q C 1.332 177.386 176.000 0.090 0.000 0.977 393 Q CA 1.462 57.212 55.803 -0.088 0.000 0.850 393 Q CB -0.293 28.360 28.738 -0.142 0.000 0.901 393 Q HN 0.796 nan 8.270 nan 0.000 0.429 394 Y N -0.494 119.906 120.300 0.165 0.000 2.607 394 Y HA 0.327 4.877 4.550 -0.001 0.000 0.266 394 Y C 1.351 177.358 175.900 0.178 0.000 1.178 394 Y CA -0.790 57.419 58.100 0.181 0.000 1.226 394 Y CB -0.681 37.923 38.460 0.239 0.000 1.144 394 Y HN -0.000 nan 8.280 nan 0.000 0.528 395 K N -0.231 120.422 120.400 0.423 0.000 2.360 395 K HA -0.158 4.161 4.320 -0.001 0.000 0.201 395 K C 0.114 176.866 176.600 0.254 0.000 1.046 395 K CA 1.903 58.417 56.287 0.379 0.000 0.940 395 K CB -0.154 32.551 32.500 0.341 0.000 0.748 395 K HN 0.196 nan 8.250 nan 0.000 0.465 396 D N 0.787 121.310 120.400 0.205 0.000 2.349 396 D HA 0.138 4.778 4.640 -0.001 0.000 0.214 396 D C 0.444 176.810 176.300 0.110 0.000 1.063 396 D CA 0.123 54.202 54.000 0.132 0.000 0.847 396 D CB 0.237 41.099 40.800 0.103 0.000 0.933 396 D HN 0.205 nan 8.370 nan 0.000 0.513 397 L N 1.069 122.374 121.223 0.137 0.000 2.439 397 L HA 0.289 4.629 4.340 -0.001 0.000 0.259 397 L C -2.072 174.831 176.870 0.055 0.000 1.129 397 L CA -1.846 53.048 54.840 0.090 0.000 0.803 397 L CB 0.260 42.374 42.059 0.093 0.000 1.161 397 L HN -0.363 nan 8.230 nan 0.000 0.462 398 P HA -0.072 nan 4.420 nan 0.000 0.265 398 P C 0.755 178.054 177.300 -0.001 0.000 1.193 398 P CA 0.112 63.212 63.100 0.001 0.000 0.765 398 P CB 0.767 32.477 31.700 0.015 0.000 0.823 399 V N 4.031 123.901 119.914 -0.072 0.000 2.370 399 V HA -0.338 3.781 4.120 -0.001 0.000 0.252 399 V C 1.963 178.078 176.094 0.035 0.000 1.068 399 V CA 2.815 65.064 62.300 -0.086 0.000 1.061 399 V CB -1.204 30.350 31.823 -0.448 0.000 0.656 399 V HN 0.696 nan 8.190 nan 0.000 0.455 400 A N -0.967 121.907 122.820 0.090 0.000 2.125 400 A HA 0.000 4.319 4.320 -0.001 0.000 0.219 400 A C 1.849 179.547 177.584 0.189 0.000 1.156 400 A CA 1.559 53.728 52.037 0.220 0.000 0.671 400 A CB -0.372 18.779 19.000 0.252 0.000 0.794 400 A HN 0.623 nan 8.150 nan 0.000 0.459 401 L N -1.234 120.063 121.223 0.124 0.000 2.769 401 L HA 0.192 4.532 4.340 -0.001 0.000 0.240 401 L C 0.529 177.367 176.870 -0.053 0.000 1.163 401 L CA -0.237 54.684 54.840 0.134 0.000 0.962 401 L CB 0.119 42.239 42.059 0.101 0.000 1.258 401 L HN 0.164 nan 8.230 nan 0.000 0.513 402 R N 1.784 122.193 120.500 -0.152 0.000 3.701 402 R HA 0.216 4.556 4.340 -0.001 0.000 0.210 402 R C -0.451 175.445 176.300 -0.674 0.000 1.598 402 R CA 0.095 55.825 56.100 -0.617 0.000 1.427 402 R CB 0.075 30.283 30.300 -0.154 0.000 1.339 402 R HN 0.167 nan 8.270 nan 0.000 0.720 403 E N -0.223 119.601 120.200 -0.628 0.000 2.458 403 E HA 0.308 4.657 4.350 -0.001 0.000 0.278 403 E C -0.118 176.425 176.600 -0.095 0.000 1.004 403 E CA -0.908 55.365 56.400 -0.212 0.000 0.823 403 E CB 1.333 30.846 29.700 -0.311 0.000 1.396 403 E HN 0.390 nan 8.360 nan 0.000 0.463 404 G N -0.205 108.574 108.800 -0.035 0.000 2.634 404 G HA2 0.340 4.299 3.960 -0.001 0.000 0.255 404 G HA3 0.340 4.299 3.960 -0.001 0.000 0.255 404 G C 0.903 175.875 174.900 0.120 0.000 1.205 404 G CA 0.272 45.248 45.100 -0.207 0.000 0.884 404 G HN 0.439 nan 8.290 nan 0.000 0.549 405 A N 0.818 123.706 122.820 0.113 0.000 1.927 405 A HA -0.054 4.265 4.320 -0.001 0.000 0.220 405 A C 1.227 178.874 177.584 0.104 0.000 1.185 405 A CA 2.307 54.315 52.037 -0.048 0.000 0.639 405 A CB -0.680 17.866 19.000 -0.757 0.000 0.820 405 A HN 1.220 nan 8.150 nan 0.000 0.451 406 N N -5.038 113.663 118.700 0.002 0.000 2.823 406 N HA 0.403 5.142 4.740 -0.001 0.000 0.251 406 N C -2.919 172.575 175.510 -0.027 0.000 1.392 406 N CA -1.621 51.395 53.050 -0.057 0.000 0.864 406 N CB 0.498 38.881 38.487 -0.173 0.000 1.481 406 N HN -0.257 nan 8.380 nan 0.000 0.508 407 P HA -0.059 nan 4.420 nan 0.000 0.217 407 P C 1.296 178.680 177.300 0.140 0.000 1.148 407 P CA 2.276 65.334 63.100 -0.070 0.000 0.828 407 P CB -0.079 31.506 31.700 -0.191 0.000 0.783 408 G N -1.532 107.422 108.800 0.256 0.000 2.422 408 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 408 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 408 G C 1.197 176.291 174.900 0.324 0.000 1.146 408 G CA 0.380 45.649 45.100 0.282 0.000 0.769 408 G HN 0.143 nan 8.290 nan 0.000 0.547 409 F N 0.408 120.484 119.950 0.211 0.000 2.134 409 F HA -0.019 4.507 4.527 -0.001 0.000 0.299 409 F C 2.579 178.630 175.800 0.418 0.000 1.097 409 F CA 1.203 59.422 58.000 0.366 0.000 1.264 409 F CB -0.647 38.617 39.000 0.440 0.000 1.001 409 F HN 0.166 nan 8.300 nan 0.000 0.479 410 H N 0.461 119.788 119.070 0.428 0.000 2.387 410 H HA -0.112 4.443 4.556 -0.001 0.000 0.299 410 H C 1.976 177.412 175.328 0.180 0.000 1.099 410 H CA 1.662 57.882 56.048 0.287 0.000 1.315 410 H CB 0.116 29.936 29.762 0.096 0.000 1.380 410 H HN 0.219 nan 8.280 nan 0.000 0.513 411 E N -0.075 120.318 120.200 0.321 0.000 2.216 411 E HA -0.007 4.342 4.350 -0.001 0.000 0.192 411 E C 2.272 178.925 176.600 0.088 0.000 0.988 411 E CA 0.704 57.225 56.400 0.203 0.000 0.834 411 E CB -0.154 29.721 29.700 0.293 0.000 0.772 411 E HN 0.450 nan 8.360 nan 0.000 0.479 412 A N 1.471 124.346 122.820 0.093 0.000 1.970 412 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 412 A C 2.110 179.681 177.584 -0.021 0.000 1.170 412 A CA 0.458 52.489 52.037 -0.009 0.000 0.645 412 A CB -0.280 18.657 19.000 -0.104 0.000 0.816 412 A HN 0.074 nan 8.150 nan 0.000 0.447 413 I N 0.513 121.098 120.570 0.026 0.000 2.068 413 I HA -0.289 3.881 4.170 -0.001 0.000 0.238 413 I C 2.692 178.778 176.117 -0.053 0.000 1.046 413 I CA 1.945 63.239 61.300 -0.010 0.000 1.306 413 I CB -2.028 35.955 38.000 -0.029 0.000 1.023 413 I HN 0.337 nan 8.210 nan 0.000 0.399 414 G N 0.277 109.027 108.800 -0.083 0.000 2.442 414 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.219 414 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.219 414 G C 1.257 176.086 174.900 -0.119 0.000 1.141 414 G CA 1.009 46.093 45.100 -0.027 0.000 0.763 414 G HN 0.352 nan 8.290 nan 0.000 0.554 415 D N 0.024 120.341 120.400 -0.139 0.000 2.144 415 D HA -0.073 4.566 4.640 -0.001 0.000 0.199 415 D C 2.715 178.787 176.300 -0.380 0.000 0.984 415 D CA 0.507 54.359 54.000 -0.247 0.000 0.834 415 D CB -0.279 40.346 40.800 -0.292 0.000 0.955 415 D HN 0.204 nan 8.370 nan 0.000 0.465 416 V N 0.459 120.181 119.914 -0.319 0.000 2.255 416 V HA -0.243 3.876 4.120 -0.001 0.000 0.247 416 V C 2.354 178.212 176.094 -0.393 0.000 1.051 416 V CA 1.256 63.363 62.300 -0.321 0.000 1.018 416 V CB -0.429 31.311 31.823 -0.139 0.000 0.641 416 V HN 0.155 nan 8.190 nan 0.000 0.445 417 L N 0.413 121.342 121.223 -0.490 0.000 2.046 417 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 417 L C 2.599 178.946 176.870 -0.871 0.000 1.077 417 L CA 2.205 56.534 54.840 -0.852 0.000 0.747 417 L CB -1.180 40.200 42.059 -1.132 0.000 0.896 417 L HN 0.292 nan 8.230 nan 0.000 0.432 418 A N -0.890 121.541 122.820 -0.648 0.000 2.024 418 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 418 A C 2.322 179.605 177.584 -0.502 0.000 1.164 418 A CA 1.410 53.065 52.037 -0.637 0.000 0.643 418 A CB -0.741 17.994 19.000 -0.443 0.000 0.806 418 A HN 0.396 nan 8.150 nan 0.000 0.451 419 L N -0.759 120.165 121.223 -0.499 0.000 2.046 419 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 419 L C 2.868 179.560 176.870 -0.297 0.000 1.077 419 L CA 1.609 56.164 54.840 -0.475 0.000 0.747 419 L CB -0.421 41.157 42.059 -0.802 0.000 0.896 419 L HN 0.341 nan 8.230 nan 0.000 0.432 420 S N -0.730 114.800 115.700 -0.283 0.000 2.368 420 S HA -0.130 4.339 4.470 -0.001 0.000 0.224 420 S C 2.003 176.457 174.600 -0.244 0.000 1.029 420 S CA 1.037 59.176 58.200 -0.102 0.000 0.988 420 S CB -0.120 63.136 63.200 0.094 0.000 0.838 420 S HN 0.158 nan 8.310 nan 0.000 0.462 421 V N 1.703 121.324 119.914 -0.489 0.000 2.392 421 V HA -0.155 3.964 4.120 -0.001 0.000 0.249 421 V C 2.271 178.228 176.094 -0.228 0.000 1.059 421 V CA 1.799 63.722 62.300 -0.627 0.000 1.051 421 V CB -0.837 30.615 31.823 -0.619 0.000 0.658 421 V HN 0.420 nan 8.190 nan 0.000 0.455 422 S N -0.264 115.342 115.700 -0.157 0.000 2.474 422 S HA -0.076 4.393 4.470 -0.001 0.000 0.235 422 S C 1.163 175.825 174.600 0.103 0.000 0.997 422 S CA 0.913 59.121 58.200 0.013 0.000 0.949 422 S CB -0.510 62.725 63.200 0.059 0.000 0.766 422 S HN 0.867 nan 8.310 nan 0.000 0.517 423 T N 1.195 115.752 114.554 0.005 0.000 2.934 423 T HA 0.082 4.431 4.350 -0.001 0.000 0.306 423 T C -1.896 172.644 174.700 -0.266 0.000 1.042 423 T CA -1.166 60.769 62.100 -0.276 0.000 1.145 423 T CB 0.429 69.204 68.868 -0.155 0.000 0.982 423 T HN -0.055 nan 8.240 nan 0.000 0.544 424 P HA -0.149 nan 4.420 nan 0.000 0.216 424 P C 1.624 178.861 177.300 -0.106 0.000 1.157 424 P CA 1.236 64.193 63.100 -0.240 0.000 0.880 424 P CB 0.092 31.621 31.700 -0.285 0.000 0.791 425 K N -1.486 118.836 120.400 -0.129 0.000 2.057 425 K HA -0.236 4.083 4.320 -0.001 0.000 0.207 425 K C 2.200 178.800 176.600 -0.000 0.000 1.049 425 K CA 1.542 57.789 56.287 -0.066 0.000 0.931 425 K CB -0.456 31.993 32.500 -0.085 0.000 0.714 425 K HN 0.183 nan 8.250 nan 0.000 0.440 426 H N 0.270 119.302 119.070 -0.063 0.000 2.357 426 H HA -0.013 4.543 4.556 -0.001 0.000 0.301 426 H C 1.922 177.232 175.328 -0.030 0.000 1.082 426 H CA 1.652 57.672 56.048 -0.047 0.000 1.342 426 H CB 0.033 29.782 29.762 -0.023 0.000 1.389 426 H HN 0.093 nan 8.280 nan 0.000 0.511 427 L N -0.276 121.009 121.223 0.104 0.000 2.083 427 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 427 L C 2.585 179.450 176.870 -0.008 0.000 1.083 427 L CA 1.515 56.380 54.840 0.042 0.000 0.752 427 L CB -0.628 41.436 42.059 0.009 0.000 0.899 427 L HN 0.546 nan 8.230 nan 0.000 0.433 428 H N 0.041 119.065 119.070 -0.076 0.000 2.423 428 H HA -0.131 4.425 4.556 -0.001 0.000 0.297 428 H C 2.335 177.609 175.328 -0.090 0.000 1.075 428 H CA 1.668 57.671 56.048 -0.075 0.000 1.342 428 H CB 0.309 30.025 29.762 -0.077 0.000 1.395 428 H HN 0.395 nan 8.280 nan 0.000 0.530 429 S N 0.130 115.783 115.700 -0.078 0.000 2.447 429 S HA -0.035 4.434 4.470 -0.001 0.000 0.233 429 S C 2.083 176.580 174.600 -0.171 0.000 1.006 429 S CA 0.579 58.681 58.200 -0.164 0.000 0.957 429 S CB -0.471 62.546 63.200 -0.305 0.000 0.773 429 S HN 0.421 nan 8.310 nan 0.000 0.507 430 L N 0.790 121.943 121.223 -0.116 0.000 2.592 430 L HA 0.287 4.626 4.340 -0.001 0.000 0.227 430 L C 0.828 177.736 176.870 0.063 0.000 1.127 430 L CA 0.189 55.064 54.840 0.057 0.000 0.884 430 L CB -0.699 41.467 42.059 0.177 0.000 1.065 430 L HN 0.355 nan 8.230 nan 0.000 0.457 431 N N -0.054 118.579 118.700 -0.111 0.000 2.815 431 N HA -0.200 4.539 4.740 -0.001 0.000 0.248 431 N C 0.262 175.703 175.510 -0.115 0.000 1.110 431 N CA 0.509 53.465 53.050 -0.157 0.000 0.699 431 N CB -1.234 37.219 38.487 -0.056 0.000 1.040 431 N HN 0.294 nan 8.380 nan 0.000 0.555 432 L N -1.444 119.698 121.223 -0.134 0.000 2.731 432 L HA 0.375 4.714 4.340 -0.001 0.000 0.240 432 L C 0.682 177.497 176.870 -0.092 0.000 1.120 432 L CA 0.230 54.977 54.840 -0.154 0.000 0.913 432 L CB 0.243 42.157 42.059 -0.243 0.000 1.213 432 L HN 0.137 nan 8.230 nan 0.000 0.515 433 L N -0.915 120.276 121.223 -0.054 0.000 2.376 433 L HA 0.502 4.841 4.340 -0.001 0.000 0.258 433 L C -0.294 176.656 176.870 0.133 0.000 1.013 433 L CA -0.418 54.440 54.840 0.030 0.000 0.822 433 L CB 2.649 44.739 42.059 0.052 0.000 1.388 433 L HN 0.019 nan 8.230 nan 0.000 0.413 440 D N 1.458 121.862 120.400 0.007 0.000 2.103 440 D HA -0.147 4.492 4.640 -0.001 0.000 0.190 440 D C 1.377 177.603 176.300 -0.122 0.000 0.997 440 D CA 2.017 55.998 54.000 -0.031 0.000 0.833 440 D CB -0.637 40.130 40.800 -0.054 0.000 0.961 440 D HN 0.850 nan 8.370 nan 0.000 0.447 441 E N -0.777 119.236 120.200 -0.312 0.000 2.160 441 E HA -0.158 4.191 4.350 -0.001 0.000 0.195 441 E C 2.103 178.542 176.600 -0.269 0.000 0.991 441 E CA 1.177 57.174 56.400 -0.672 0.000 0.810 441 E CB -0.177 28.924 29.700 -0.999 0.000 0.742 441 E HN 0.746 nan 8.360 nan 0.000 0.466 442 H N 0.119 119.129 119.070 -0.100 0.000 2.436 442 H HA -0.034 4.521 4.556 -0.001 0.000 0.294 442 H C 1.610 176.981 175.328 0.072 0.000 1.048 442 H CA 1.051 57.104 56.048 0.009 0.000 1.353 442 H CB 0.151 29.907 29.762 -0.009 0.000 1.414 442 H HN 0.089 nan 8.280 nan 0.000 0.536 443 D N 0.315 120.813 120.400 0.162 0.000 2.097 443 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 443 D C 2.078 178.414 176.300 0.060 0.000 0.984 443 D CA 0.788 54.888 54.000 0.167 0.000 0.826 443 D CB 0.057 40.949 40.800 0.154 0.000 0.973 443 D HN 0.240 nan 8.370 nan 0.000 0.460 444 I N 1.612 122.171 120.570 -0.018 0.000 2.226 444 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 444 I C 1.938 178.012 176.117 -0.072 0.000 1.100 444 I CA 0.944 62.169 61.300 -0.127 0.000 1.374 444 I CB -1.153 36.698 38.000 -0.248 0.000 1.057 444 I HN -0.026 nan 8.210 nan 0.000 0.413 445 N N 0.838 119.579 118.700 0.068 0.000 2.120 445 N HA -0.209 4.530 4.740 -0.001 0.000 0.188 445 N C 1.802 177.447 175.510 0.225 0.000 1.024 445 N CA 1.113 54.275 53.050 0.188 0.000 0.852 445 N CB -0.603 38.025 38.487 0.234 0.000 1.003 445 N HN 0.305 nan 8.380 nan 0.000 0.424 446 F N 1.561 121.538 119.950 0.046 0.000 2.113 446 F HA 0.018 4.545 4.527 -0.001 0.000 0.297 446 F C 2.009 177.834 175.800 0.042 0.000 1.103 446 F CA 0.967 58.980 58.000 0.022 0.000 1.248 446 F CB -0.554 38.470 39.000 0.040 0.000 0.999 446 F HN -0.061 nan 8.300 nan 0.000 0.475 447 L N -0.390 120.708 121.223 -0.208 0.000 2.131 447 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 447 L C 2.478 179.346 176.870 -0.003 0.000 1.092 447 L CA 1.480 56.178 54.840 -0.237 0.000 0.759 447 L CB -0.638 41.312 42.059 -0.180 0.000 0.903 447 L HN 0.321 nan 8.230 nan 0.000 0.435 448 M N 0.314 119.922 119.600 0.013 0.000 2.132 448 M HA -0.207 4.272 4.480 -0.001 0.000 0.263 448 M C 2.180 178.572 176.300 0.153 0.000 1.065 448 M CA 1.805 57.165 55.300 0.100 0.000 1.122 448 M CB -0.355 32.316 32.600 0.118 0.000 1.365 448 M HN -0.035 nan 8.290 nan 0.000 0.411 449 K N -0.688 119.761 120.400 0.081 0.000 2.097 449 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 449 K C 1.770 178.352 176.600 -0.030 0.000 1.049 449 K CA 1.569 57.833 56.287 -0.037 0.000 0.933 449 K CB -0.009 32.305 32.500 -0.310 0.000 0.717 449 K HN 0.299 nan 8.250 nan 0.000 0.442 450 M N 0.185 119.725 119.600 -0.101 0.000 2.200 450 M HA -0.031 4.448 4.480 -0.001 0.000 0.265 450 M C 2.351 178.775 176.300 0.207 0.000 1.066 450 M CA 1.447 56.755 55.300 0.014 0.000 1.127 450 M CB -0.996 31.562 32.600 -0.071 0.000 1.379 450 M HN 0.268 nan 8.290 nan 0.000 0.420 451 A N 0.319 123.262 122.820 0.206 0.000 1.930 451 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 451 A C 2.267 179.811 177.584 -0.067 0.000 1.175 451 A CA 1.072 53.043 52.037 -0.110 0.000 0.627 451 A CB -0.922 17.966 19.000 -0.188 0.000 0.815 451 A HN 0.464 nan 8.150 nan 0.000 0.443 452 L N -0.609 120.649 121.223 0.058 0.000 2.187 452 L HA -0.204 4.135 4.340 -0.001 0.000 0.213 452 L C 2.210 179.106 176.870 0.043 0.000 1.100 452 L CA 1.684 56.589 54.840 0.109 0.000 0.765 452 L CB -0.390 41.826 42.059 0.262 0.000 0.904 452 L HN 0.529 nan 8.230 nan 0.000 0.437 453 D N -0.571 119.866 120.400 0.062 0.000 2.355 453 D HA -0.100 4.540 4.640 -0.001 0.000 0.233 453 D C 2.116 178.515 176.300 0.165 0.000 0.997 453 D CA 0.796 54.848 54.000 0.088 0.000 0.920 453 D CB 0.236 41.080 40.800 0.073 0.000 1.063 453 D HN -0.167 nan 8.370 nan 0.000 0.465 454 K N 0.554 121.079 120.400 0.207 0.000 2.025 454 K HA -0.035 4.284 4.320 -0.001 0.000 0.207 454 K C 2.139 178.865 176.600 0.210 0.000 1.049 454 K CA 0.641 57.149 56.287 0.368 0.000 0.933 454 K CB -0.341 32.380 32.500 0.370 0.000 0.714 454 K HN 0.317 nan 8.250 nan 0.000 0.438 455 I N 1.085 121.589 120.570 -0.109 0.000 2.286 455 I HA -0.104 4.066 4.170 -0.001 0.000 0.245 455 I C 2.388 178.448 176.117 -0.096 0.000 1.104 455 I CA 0.914 62.101 61.300 -0.189 0.000 1.397 455 I CB -1.434 36.336 38.000 -0.383 0.000 1.072 455 I HN -0.009 nan 8.210 nan 0.000 0.417 456 A N 0.362 123.042 122.820 -0.233 0.000 1.978 456 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 456 A C 2.237 179.693 177.584 -0.214 0.000 1.170 456 A CA 1.340 53.080 52.037 -0.494 0.000 0.636 456 A CB -1.016 17.190 19.000 -1.323 0.000 0.810 456 A HN 0.381 nan 8.150 nan 0.000 0.448 457 F N 0.516 120.343 119.950 -0.205 0.000 2.325 457 F HA -0.079 4.447 4.527 -0.001 0.000 0.299 457 F C 1.883 177.630 175.800 -0.089 0.000 1.090 457 F CA 0.482 58.392 58.000 -0.150 0.000 1.392 457 F CB -0.031 38.785 39.000 -0.307 0.000 1.053 457 F HN 0.111 nan 8.300 nan 0.000 0.521 458 I N 2.256 122.794 120.570 -0.053 0.000 2.087 458 I HA -0.262 3.907 4.170 -0.001 0.000 0.240 458 I C -0.198 175.958 176.117 0.066 0.000 1.054 458 I CA 2.038 63.345 61.300 0.011 0.000 1.311 458 I CB -2.797 35.220 38.000 0.027 0.000 1.024 458 I HN 0.112 nan 8.210 nan 0.000 0.402 459 P HA -0.214 nan 4.420 nan 0.000 0.218 459 P C 2.010 179.218 177.300 -0.154 0.000 1.149 459 P CA 1.549 64.652 63.100 0.005 0.000 0.817 459 P CB -0.308 31.300 31.700 -0.154 0.000 0.785 460 F N 2.618 122.371 119.950 -0.328 0.000 2.113 460 F HA -0.164 4.363 4.527 -0.001 0.000 0.297 460 F C 2.409 177.914 175.800 -0.491 0.000 1.103 460 F CA 2.158 59.921 58.000 -0.394 0.000 1.248 460 F CB -0.803 38.000 39.000 -0.329 0.000 0.999 460 F HN -0.056 nan 8.300 nan 0.000 0.475 461 S N -1.013 114.331 115.700 -0.593 0.000 2.442 461 S HA -0.264 4.206 4.470 -0.001 0.000 0.236 461 S C 1.940 176.404 174.600 -0.226 0.000 1.007 461 S CA 1.086 59.041 58.200 -0.408 0.000 0.965 461 S CB -1.341 61.484 63.200 -0.626 0.000 0.773 461 S HN 0.603 nan 8.310 nan 0.000 0.504 462 Y N 1.971 121.969 120.300 -0.503 0.000 2.243 462 Y HA 0.241 4.790 4.550 -0.001 0.000 0.293 462 Y C 2.082 177.430 175.900 -0.920 0.000 1.124 462 Y CA 0.921 58.493 58.100 -0.880 0.000 1.159 462 Y CB -0.404 37.372 38.460 -1.139 0.000 1.008 462 Y HN 0.328 nan 8.280 nan 0.000 0.527 463 L N -0.891 119.818 121.223 -0.857 0.000 2.046 463 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 463 L C 2.002 178.419 176.870 -0.755 0.000 1.077 463 L CA 1.458 55.796 54.840 -0.837 0.000 0.747 463 L CB -0.618 41.030 42.059 -0.686 0.000 0.896 463 L HN 0.116 nan 8.230 nan 0.000 0.432 464 V N 0.650 120.073 119.914 -0.818 0.000 2.231 464 V HA -0.357 3.763 4.120 -0.001 0.000 0.250 464 V C 2.063 177.950 176.094 -0.346 0.000 1.058 464 V CA 2.410 64.359 62.300 -0.585 0.000 1.022 464 V CB -0.758 30.575 31.823 -0.818 0.000 0.640 464 V HN 0.529 nan 8.190 nan 0.000 0.445 465 D N -1.293 118.789 120.400 -0.531 0.000 2.323 465 D HA -0.058 4.581 4.640 -0.001 0.000 0.209 465 D C 2.336 177.920 176.300 -1.193 0.000 0.973 465 D CA 0.323 53.855 54.000 -0.780 0.000 0.874 465 D CB -0.142 40.130 40.800 -0.881 0.000 0.930 465 D HN 0.378 nan 8.370 nan 0.000 0.521 466 Q N -0.776 118.433 119.800 -0.986 0.000 2.124 466 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 466 Q C 1.950 177.782 176.000 -0.281 0.000 0.977 466 Q CA 0.786 56.176 55.803 -0.688 0.000 0.850 466 Q CB -0.427 27.924 28.738 -0.645 0.000 0.901 466 Q HN 0.492 nan 8.270 nan 0.000 0.429 467 W N 1.568 122.640 121.300 -0.381 0.000 2.408 467 W HA -0.073 4.586 4.660 -0.001 0.000 0.311 467 W C 2.205 178.612 176.519 -0.186 0.000 1.190 467 W CA 1.230 58.467 57.345 -0.181 0.000 1.321 467 W CB -0.075 29.348 29.460 -0.063 0.000 1.143 467 W HN -0.020 nan 8.180 nan 0.000 0.501 468 R N -0.738 119.670 120.500 -0.154 0.000 2.096 468 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 468 R C 2.001 177.979 176.300 -0.538 0.000 1.127 468 R CA 1.754 57.545 56.100 -0.516 0.000 0.968 468 R CB -0.958 29.175 30.300 -0.278 0.000 0.861 468 R HN 0.238 nan 8.270 nan 0.000 0.440 469 W N 0.932 122.060 121.300 -0.287 0.000 2.363 469 W HA -0.093 4.566 4.660 -0.001 0.000 0.296 469 W C 1.962 178.375 176.519 -0.177 0.000 1.212 469 W CA 0.747 58.004 57.345 -0.147 0.000 1.260 469 W CB -0.567 28.848 29.460 -0.074 0.000 1.131 469 W HN 0.094 nan 8.180 nan 0.000 0.530 470 R N -0.612 119.871 120.500 -0.029 0.000 2.193 470 R HA -0.009 4.331 4.340 -0.001 0.000 0.213 470 R C 2.007 178.190 176.300 -0.194 0.000 1.055 470 R CA 0.738 56.786 56.100 -0.086 0.000 0.995 470 R CB -0.482 29.765 30.300 -0.089 0.000 0.893 470 R HN 0.008 nan 8.270 nan 0.000 0.459 471 V N 0.263 119.926 119.914 -0.417 0.000 2.346 471 V HA -0.165 3.954 4.120 -0.001 0.000 0.244 471 V C 1.856 177.858 176.094 -0.153 0.000 1.037 471 V CA 1.635 63.690 62.300 -0.408 0.000 1.029 471 V CB -0.405 30.945 31.823 -0.788 0.000 0.663 471 V HN 0.233 nan 8.190 nan 0.000 0.454 472 F N 1.511 121.356 119.950 -0.175 0.000 2.134 472 F HA -0.198 4.329 4.527 -0.001 0.000 0.299 472 F C 2.270 177.984 175.800 -0.143 0.000 1.097 472 F CA 1.231 59.116 58.000 -0.192 0.000 1.264 472 F CB -0.332 38.519 39.000 -0.248 0.000 1.001 472 F HN 0.405 nan 8.300 nan 0.000 0.479 473 D N -0.400 120.051 120.400 0.084 0.000 2.363 473 D HA 0.064 4.703 4.640 -0.001 0.000 0.226 473 D C 1.605 177.907 176.300 0.004 0.000 1.020 473 D CA 0.908 54.922 54.000 0.023 0.000 0.892 473 D CB -0.233 40.576 40.800 0.015 0.000 0.900 473 D HN 0.353 nan 8.370 nan 0.000 0.531 474 G N -0.488 108.314 108.800 0.002 0.000 2.179 474 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.260 474 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.260 474 G C 1.290 176.184 174.900 -0.010 0.000 0.977 474 G CA 0.496 45.593 45.100 -0.005 0.000 0.641 474 G HN 0.349 nan 8.290 nan 0.000 0.533 475 S N -0.483 115.209 115.700 -0.015 0.000 2.423 475 S HA 0.214 4.683 4.470 -0.001 0.000 0.231 475 S C 1.044 175.639 174.600 -0.008 0.000 1.014 475 S CA 0.896 59.092 58.200 -0.008 0.000 0.965 475 S CB 0.098 63.296 63.200 -0.004 0.000 0.785 475 S HN 0.566 nan 8.310 nan 0.000 0.495 476 I N 2.232 122.785 120.570 -0.029 0.000 2.382 476 I HA 0.240 4.409 4.170 -0.001 0.000 0.286 476 I C 0.343 176.476 176.117 0.027 0.000 1.002 476 I CA -0.551 60.749 61.300 0.001 0.000 1.135 476 I CB 1.848 39.811 38.000 -0.061 0.000 1.288 476 I HN 0.054 nan 8.210 nan 0.000 0.448 477 T N 1.434 115.980 114.554 -0.014 0.000 2.881 477 T HA 0.269 4.618 4.350 -0.001 0.000 0.278 477 T C 1.041 175.498 174.700 -0.406 0.000 0.982 477 T CA -0.800 61.233 62.100 -0.112 0.000 0.989 477 T CB 1.364 70.172 68.868 -0.099 0.000 1.058 477 T HN 0.763 nan 8.240 nan 0.000 0.529 478 K N 0.105 120.079 120.400 -0.710 0.000 2.442 478 K HA -0.107 4.213 4.320 -0.001 0.000 0.198 478 K C 1.410 177.616 176.600 -0.657 0.000 1.044 478 K CA 1.406 56.840 56.287 -1.421 0.000 0.948 478 K CB -0.200 31.836 32.500 -0.773 0.000 0.762 478 K HN 0.757 nan 8.250 nan 0.000 0.472 479 E N 0.677 120.688 120.200 -0.316 0.000 2.216 479 E HA -0.028 4.322 4.350 -0.001 0.000 0.192 479 E C 0.782 177.365 176.600 -0.029 0.000 0.988 479 E CA 0.597 56.921 56.400 -0.127 0.000 0.834 479 E CB 0.093 29.750 29.700 -0.072 0.000 0.772 479 E HN 0.424 nan 8.360 nan 0.000 0.479 480 N N -0.370 118.326 118.700 -0.006 0.000 2.200 480 N HA 0.078 4.818 4.740 -0.001 0.000 0.224 480 N C 0.610 176.331 175.510 0.352 0.000 1.179 480 N CA -0.049 53.091 53.050 0.149 0.000 0.877 480 N CB 0.322 38.884 38.487 0.124 0.000 1.072 480 N HN 0.260 nan 8.380 nan 0.000 0.519 481 Y N 1.701 122.190 120.300 0.315 0.000 2.014 481 Y HA -0.335 4.215 4.550 -0.001 0.000 0.272 481 Y C 2.353 178.627 175.900 0.622 0.000 1.164 481 Y CA 1.231 59.669 58.100 0.563 0.000 1.114 481 Y CB -0.119 38.707 38.460 0.610 0.000 0.961 481 Y HN 0.115 nan 8.280 nan 0.000 0.489 482 N N -0.173 118.902 118.700 0.625 0.000 2.120 482 N HA -0.178 4.561 4.740 -0.001 0.000 0.188 482 N C 1.617 177.449 175.510 0.536 0.000 1.024 482 N CA 1.482 54.816 53.050 0.473 0.000 0.852 482 N CB -0.181 38.544 38.487 0.396 0.000 1.003 482 N HN 0.281 nan 8.380 nan 0.000 0.424 483 Q N 0.107 120.168 119.800 0.434 0.000 2.124 483 Q HA -0.047 4.292 4.340 -0.001 0.000 0.202 483 Q C 1.552 177.779 176.000 0.377 0.000 0.977 483 Q CA 1.041 57.069 55.803 0.374 0.000 0.850 483 Q CB -0.009 28.881 28.738 0.253 0.000 0.901 483 Q HN 0.332 nan 8.270 nan 0.000 0.429 484 E N -0.553 119.897 120.200 0.417 0.000 2.216 484 E HA -0.127 4.222 4.350 -0.001 0.000 0.192 484 E C 1.414 178.272 176.600 0.430 0.000 0.988 484 E CA 0.391 57.027 56.400 0.394 0.000 0.834 484 E CB -0.305 29.633 29.700 0.398 0.000 0.772 484 E HN 0.530 nan 8.360 nan 0.000 0.479 485 W N 0.108 121.525 121.300 0.194 0.000 2.379 485 W HA -0.198 4.461 4.660 -0.001 0.000 0.307 485 W C 1.196 177.515 176.519 -0.333 0.000 1.200 485 W CA 0.882 58.036 57.345 -0.317 0.000 1.297 485 W CB -0.615 28.387 29.460 -0.763 0.000 1.140 485 W HN 0.090 nan 8.180 nan 0.000 0.507 486 W N 1.005 122.379 121.300 0.124 0.000 2.467 486 W HA -0.124 4.536 4.660 -0.000 0.000 0.275 486 W C 2.866 179.370 176.519 -0.025 0.000 1.239 486 W CA 1.612 58.964 57.345 0.012 0.000 1.266 486 W CB -0.705 28.835 29.460 0.133 0.000 1.112 486 W HN -0.262 nan 8.180 nan 0.000 0.576 487 S N 0.494 116.305 115.700 0.186 0.000 2.402 487 S HA -0.124 4.345 4.470 -0.001 0.000 0.229 487 S C 1.765 176.368 174.600 0.005 0.000 1.021 487 S CA 0.997 59.267 58.200 0.117 0.000 0.974 487 S CB -0.363 62.912 63.200 0.126 0.000 0.800 487 S HN 0.204 nan 8.310 nan 0.000 0.484 488 L N 0.613 121.789 121.223 -0.077 0.000 2.131 488 L HA 0.046 4.385 4.340 -0.001 0.000 0.206 488 L C 2.680 179.428 176.870 -0.204 0.000 1.087 488 L CA 0.669 55.431 54.840 -0.129 0.000 0.767 488 L CB -0.362 41.617 42.059 -0.133 0.000 0.917 488 L HN 0.128 nan 8.230 nan 0.000 0.441 489 R N 0.121 120.372 120.500 -0.415 0.000 2.105 489 R HA -0.186 4.153 4.340 -0.001 0.000 0.239 489 R C 2.156 178.385 176.300 -0.119 0.000 1.135 489 R CA 1.405 57.267 56.100 -0.397 0.000 0.967 489 R CB -0.803 29.089 30.300 -0.681 0.000 0.861 489 R HN 0.255 nan 8.270 nan 0.000 0.442 490 L N 1.390 122.588 121.223 -0.042 0.000 2.007 490 L HA -0.085 4.254 4.340 -0.001 0.000 0.205 490 L C 2.409 179.291 176.870 0.020 0.000 1.073 490 L CA 1.872 56.677 54.840 -0.059 0.000 0.744 490 L CB -0.603 41.485 42.059 0.048 0.000 0.898 490 L HN -0.020 nan 8.230 nan 0.000 0.435 491 K N -1.622 118.805 120.400 0.044 0.000 2.044 491 K HA -0.243 4.077 4.320 -0.001 0.000 0.210 491 K C 2.056 178.674 176.600 0.030 0.000 1.049 491 K CA 2.357 58.654 56.287 0.016 0.000 0.927 491 K CB -0.367 31.929 32.500 -0.340 0.000 0.713 491 K HN 0.467 nan 8.250 nan 0.000 0.443 492 Y N -0.297 120.105 120.300 0.171 0.000 2.301 492 Y HA 0.029 4.579 4.550 -0.001 0.000 0.295 492 Y C 2.331 178.381 175.900 0.250 0.000 1.126 492 Y CA 0.521 58.730 58.100 0.181 0.000 1.154 492 Y CB 0.308 38.696 38.460 -0.119 0.000 1.075 492 Y HN 0.071 nan 8.280 nan 0.000 0.534 493 Q N -0.559 119.379 119.800 0.230 0.000 2.402 493 Q HA 0.152 4.491 4.340 -0.001 0.000 0.206 493 Q C 1.056 177.089 176.000 0.055 0.000 0.919 493 Q CA 0.530 56.471 55.803 0.230 0.000 0.923 493 Q CB 0.623 29.482 28.738 0.202 0.000 1.048 493 Q HN 0.589 nan 8.270 nan 0.000 0.515 494 G N 1.514 109.971 108.800 -0.571 0.000 2.246 494 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.273 494 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.273 494 G C -0.290 174.270 174.900 -0.566 0.000 1.055 494 G CA 0.098 44.135 45.100 -1.771 0.000 0.851 494 G HN 0.177 nan 8.290 nan 0.000 0.500 495 L N -0.916 120.175 121.223 -0.220 0.000 2.319 495 L HA 0.827 5.167 4.340 -0.001 0.000 0.267 495 L C 0.921 177.849 176.870 0.096 0.000 1.011 495 L CA -1.030 53.816 54.840 0.010 0.000 0.818 495 L CB 2.131 44.287 42.059 0.161 0.000 1.316 495 L HN 0.532 nan 8.230 nan 0.000 0.432 496 C N -0.613 118.738 119.300 0.086 0.000 2.802 496 C HA 0.725 5.184 4.460 -0.001 0.000 0.307 496 C C -2.755 172.118 174.990 -0.195 0.000 1.222 496 C CA -2.380 56.644 59.018 0.010 0.000 1.580 496 C CB 1.935 29.638 27.740 -0.063 0.000 2.119 496 C HN 0.481 nan 8.230 nan 0.000 0.479 497 P HA 0.261 nan 4.420 nan 0.000 0.276 497 P C -1.885 175.055 177.300 -0.600 0.000 1.235 497 P CA -0.805 61.777 63.100 -0.862 0.000 0.772 497 P CB 0.979 31.936 31.700 -1.239 0.000 0.871 498 P HA -0.061 nan 4.420 nan 0.000 0.222 498 P C 0.233 177.309 177.300 -0.374 0.000 1.147 498 P CA 0.944 63.688 63.100 -0.593 0.000 0.790 498 P CB 0.456 31.456 31.700 -1.167 0.000 0.780 499 V N 2.944 122.651 119.914 -0.344 0.000 2.487 499 V HA 0.297 4.417 4.120 -0.001 0.000 0.298 499 V C -2.292 173.721 176.094 -0.136 0.000 1.028 499 V CA -2.274 59.939 62.300 -0.144 0.000 0.860 499 V CB 2.118 33.928 31.823 -0.022 0.000 0.991 499 V HN -0.041 nan 8.190 nan 0.000 0.427 500 P HA 0.124 nan 4.420 nan 0.000 0.265 500 P C -0.718 176.535 177.300 -0.079 0.000 1.193 500 P CA -0.307 62.724 63.100 -0.114 0.000 0.765 500 P CB 0.549 32.208 31.700 -0.068 0.000 0.823 501 R N 1.891 122.328 120.500 -0.105 0.000 2.582 501 R HA 0.448 4.787 4.340 -0.001 0.000 0.271 501 R C 0.887 177.192 176.300 0.008 0.000 1.078 501 R CA -0.094 55.987 56.100 -0.032 0.000 1.127 501 R CB -0.447 29.842 30.300 -0.017 0.000 1.038 501 R HN 0.553 nan 8.270 nan 0.000 0.500 502 T N -2.315 112.256 114.554 0.029 0.000 2.907 502 T HA 0.209 4.558 4.350 -0.001 0.000 0.290 502 T C -0.068 174.661 174.700 0.048 0.000 1.066 502 T CA -0.982 61.137 62.100 0.031 0.000 1.012 502 T CB 1.815 70.692 68.868 0.016 0.000 1.184 502 T HN 0.340 nan 8.240 nan 0.000 0.522 503 Q N 0.192 120.016 119.800 0.041 0.000 2.263 503 Q HA 0.333 4.673 4.340 -0.001 0.000 0.289 503 Q C 1.201 177.222 176.000 0.036 0.000 1.061 503 Q CA 1.873 57.702 55.803 0.043 0.000 0.927 503 Q CB 0.090 28.843 28.738 0.026 0.000 1.154 503 Q HN 1.361 nan 8.270 nan 0.000 0.378 504 G N 4.303 113.133 108.800 0.049 0.000 2.316 504 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.203 504 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.203 504 G C -0.264 174.672 174.900 0.060 0.000 0.999 504 G CA -0.034 45.087 45.100 0.035 0.000 0.649 504 G HN 0.634 nan 8.290 nan 0.000 0.489 505 D N -0.162 120.287 120.400 0.081 0.000 2.341 505 D HA 0.564 5.203 4.640 -0.001 0.000 0.245 505 D C -0.610 175.807 176.300 0.196 0.000 1.106 505 D CA 0.410 54.464 54.000 0.090 0.000 0.905 505 D CB 1.158 42.006 40.800 0.080 0.000 1.202 505 D HN 0.132 nan 8.370 nan 0.000 0.426 506 F N 2.386 122.286 119.950 -0.084 0.000 2.872 506 F HA 0.152 4.678 4.527 -0.001 0.000 0.363 506 F C 0.496 176.098 175.800 -0.329 0.000 1.357 506 F CA -0.811 57.093 58.000 -0.160 0.000 1.174 506 F CB 0.428 39.350 39.000 -0.131 0.000 1.860 506 F HN 0.059 nan 8.300 nan 0.000 0.615 507 D N 2.485 122.580 120.400 -0.508 0.000 2.182 507 D HA -0.120 4.520 4.640 -0.001 0.000 0.201 507 D C -0.765 174.827 176.300 -1.181 0.000 0.986 507 D CA 1.416 55.038 54.000 -0.629 0.000 0.847 507 D CB -0.880 39.788 40.800 -0.220 0.000 0.942 507 D HN 0.370 nan 8.370 nan 0.000 0.467 508 P HA -0.074 nan 4.420 nan 0.000 0.218 508 P C 1.545 177.953 177.300 -1.486 0.000 1.148 508 P CA 1.456 63.169 63.100 -2.312 0.000 0.822 508 P CB -0.202 29.776 31.700 -2.870 0.000 0.784 509 G N -0.192 107.665 108.800 -1.572 0.000 2.559 509 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.216 509 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.216 509 G C 1.326 176.053 174.900 -0.288 0.000 1.126 509 G CA 0.622 45.315 45.100 -0.677 0.000 0.778 509 G HN 0.343 nan 8.290 nan 0.000 0.543 510 A N -0.778 121.859 122.820 -0.305 0.000 2.278 510 A HA 0.437 4.756 4.320 -0.001 0.000 0.212 510 A C 1.015 179.004 177.584 0.674 0.000 1.213 510 A CA 0.260 52.344 52.037 0.079 0.000 0.840 510 A CB 0.030 18.957 19.000 -0.121 0.000 0.866 510 A HN 0.177 nan 8.150 nan 0.000 0.489 511 K N -0.599 119.887 120.400 0.144 0.000 2.339 511 K HA 0.437 4.756 4.320 -0.001 0.000 0.264 511 K C 0.196 176.626 176.600 -0.284 0.000 0.986 511 K CA -1.170 55.057 56.287 -0.100 0.000 0.866 511 K CB 0.103 32.377 32.500 -0.376 0.000 1.103 511 K HN 0.062 nan 8.250 nan 0.000 0.441 512 F N 3.923 123.560 119.950 -0.521 0.000 2.053 512 F HA -0.381 4.145 4.527 -0.001 0.000 0.295 512 F C 1.118 176.507 175.800 -0.685 0.000 1.102 512 F CA 2.448 59.843 58.000 -1.008 0.000 1.225 512 F CB -0.256 38.264 39.000 -0.801 0.000 0.961 512 F HN 0.885 nan 8.300 nan 0.000 0.495 513 H N -0.252 118.571 119.070 -0.412 0.000 2.489 513 H HA -0.158 4.398 4.556 -0.001 0.000 0.295 513 H C 2.253 177.417 175.328 -0.273 0.000 1.082 513 H CA 1.523 57.403 56.048 -0.279 0.000 1.295 513 H CB -0.398 29.471 29.762 0.178 0.000 1.380 513 H HN 0.269 nan 8.280 nan 0.000 0.548 514 I N 0.825 121.262 120.570 -0.222 0.000 2.141 514 I HA -0.114 4.055 4.170 -0.001 0.000 0.236 514 I C -0.453 175.567 176.117 -0.163 0.000 1.071 514 I CA 0.906 62.119 61.300 -0.145 0.000 1.345 514 I CB -2.035 35.743 38.000 -0.370 0.000 1.066 514 I HN 0.215 nan 8.210 nan 0.000 0.406 515 P HA -0.033 nan 4.420 nan 0.000 0.223 515 P C 1.462 178.509 177.300 -0.421 0.000 1.151 515 P CA 1.117 64.038 63.100 -0.298 0.000 0.787 515 P CB 0.054 31.603 31.700 -0.251 0.000 0.788 516 S N -0.572 114.756 115.700 -0.620 0.000 2.603 516 S HA 0.031 4.500 4.470 -0.001 0.000 0.220 516 S C 0.884 175.289 174.600 -0.325 0.000 0.967 516 S CA 0.411 58.234 58.200 -0.629 0.000 0.920 516 S CB -0.862 61.569 63.200 -1.282 0.000 0.773 516 S HN 0.203 nan 8.310 nan 0.000 0.529 517 S N 1.033 116.637 115.700 -0.160 0.000 3.631 517 S HA -0.146 4.323 4.470 -0.001 0.000 0.366 517 S C -0.232 174.418 174.600 0.084 0.000 0.993 517 S CA 0.024 58.327 58.200 0.171 0.000 1.167 517 S CB -1.437 61.941 63.200 0.297 0.000 0.909 517 S HN 0.263 nan 8.310 nan 0.000 0.478 518 V N 3.116 123.031 119.914 0.002 0.000 2.384 518 V HA 0.429 4.549 4.120 -0.001 0.000 0.287 518 V C -1.807 174.281 176.094 -0.011 0.000 1.020 518 V CA -1.802 60.469 62.300 -0.049 0.000 0.850 518 V CB 1.565 33.428 31.823 0.067 0.000 0.987 518 V HN 0.297 nan 8.190 nan 0.000 0.436 519 P HA 0.025 nan 4.420 nan 0.000 0.266 519 P C -0.404 176.955 177.300 0.098 0.000 1.193 519 P CA 0.416 63.328 63.100 -0.312 0.000 0.770 519 P CB 0.505 31.867 31.700 -0.565 0.000 0.836 520 Y N 1.955 122.309 120.300 0.091 0.000 2.483 520 Y HA 0.147 4.696 4.550 -0.001 0.000 0.258 520 Y C 1.856 177.806 175.900 0.083 0.000 1.083 520 Y CA 0.180 58.358 58.100 0.130 0.000 1.283 520 Y CB -0.103 38.368 38.460 0.018 0.000 1.178 520 Y HN 0.168 nan 8.280 nan 0.000 0.515 521 I N 1.679 122.324 120.570 0.125 0.000 2.530 521 I HA -0.296 3.874 4.170 -0.001 0.000 0.257 521 I C 2.436 178.633 176.117 0.134 0.000 1.179 521 I CA 1.427 62.787 61.300 0.100 0.000 1.440 521 I CB -0.366 37.716 38.000 0.137 0.000 1.087 521 I HN 0.233 nan 8.210 nan 0.000 0.440 522 R N -0.734 119.789 120.500 0.038 0.000 2.159 522 R HA -0.229 4.110 4.340 -0.001 0.000 0.237 522 R C 1.955 178.206 176.300 -0.081 0.000 1.131 522 R CA 1.990 58.091 56.100 0.001 0.000 0.982 522 R CB -1.300 28.870 30.300 -0.218 0.000 0.868 522 R HN 0.388 nan 8.270 nan 0.000 0.453 523 Y N -0.173 120.162 120.300 0.058 0.000 2.337 523 Y HA -0.058 4.491 4.550 -0.001 0.000 0.293 523 Y C 2.154 178.205 175.900 0.252 0.000 1.123 523 Y CA 0.707 58.886 58.100 0.133 0.000 1.201 523 Y CB -0.218 38.173 38.460 -0.116 0.000 1.011 523 Y HN 0.011 nan 8.280 nan 0.000 0.545 524 F N 0.095 120.133 119.950 0.147 0.000 2.113 524 F HA -0.179 4.348 4.527 -0.001 0.000 0.297 524 F C 2.085 177.988 175.800 0.171 0.000 1.103 524 F CA 1.166 59.232 58.000 0.111 0.000 1.248 524 F CB -0.672 38.360 39.000 0.054 0.000 0.999 524 F HN -0.217 nan 8.300 nan 0.000 0.475 525 V N -0.310 119.731 119.914 0.211 0.000 2.287 525 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 525 V C 2.691 178.789 176.094 0.005 0.000 1.053 525 V CA 2.075 64.417 62.300 0.070 0.000 1.027 525 V CB -1.228 30.678 31.823 0.139 0.000 0.646 525 V HN 0.546 nan 8.190 nan 0.000 0.447 526 S N -0.377 115.401 115.700 0.130 0.000 2.359 526 S HA -0.222 4.247 4.470 -0.001 0.000 0.224 526 S C 1.868 176.532 174.600 0.106 0.000 1.035 526 S CA 1.884 60.156 58.200 0.119 0.000 1.018 526 S CB -0.447 62.931 63.200 0.297 0.000 0.876 526 S HN 0.474 nan 8.310 nan 0.000 0.448 527 F N 1.440 121.390 119.950 0.000 0.000 2.269 527 F HA 0.049 4.576 4.527 -0.001 0.000 0.301 527 F C 2.102 177.913 175.800 0.018 0.000 1.082 527 F CA 0.370 58.396 58.000 0.044 0.000 1.360 527 F CB -0.359 38.742 39.000 0.169 0.000 1.041 527 F HN 0.264 nan 8.300 nan 0.000 0.512 528 I N 0.347 120.913 120.570 -0.007 0.000 2.206 528 I HA -0.202 3.968 4.170 -0.001 0.000 0.239 528 I C 2.550 178.599 176.117 -0.114 0.000 1.078 528 I CA 1.323 62.573 61.300 -0.084 0.000 1.367 528 I CB -1.289 36.579 38.000 -0.221 0.000 1.078 528 I HN 0.140 nan 8.210 nan 0.000 0.413 529 I N 0.242 120.637 120.570 -0.293 0.000 2.493 529 I HA -0.267 3.902 4.170 -0.001 0.000 0.254 529 I C 2.441 177.983 176.117 -0.959 0.000 1.160 529 I CA 1.109 62.030 61.300 -0.631 0.000 1.445 529 I CB -0.710 36.769 38.000 -0.869 0.000 1.086 529 I HN 0.344 nan 8.210 nan 0.000 0.433 530 Q N 1.025 120.432 119.800 -0.655 0.000 2.170 530 Q HA -0.167 4.172 4.340 -0.001 0.000 0.203 530 Q C 1.815 177.511 176.000 -0.506 0.000 0.976 530 Q CA 1.621 57.053 55.803 -0.619 0.000 0.858 530 Q CB -0.739 27.663 28.738 -0.561 0.000 0.907 530 Q HN 0.541 nan 8.270 nan 0.000 0.433 531 F N 1.441 121.219 119.950 -0.286 0.000 2.293 531 F HA -0.000 4.526 4.527 -0.001 0.000 0.297 531 F C 2.472 178.253 175.800 -0.031 0.000 1.089 531 F CA 1.053 58.965 58.000 -0.147 0.000 1.377 531 F CB 0.034 38.945 39.000 -0.148 0.000 1.051 531 F HN 0.072 nan 8.300 nan 0.000 0.511 532 Q N -0.735 119.084 119.800 0.032 0.000 2.119 532 Q HA -0.157 4.183 4.340 -0.001 0.000 0.201 532 Q C 2.056 178.190 176.000 0.223 0.000 0.972 532 Q CA 1.250 57.109 55.803 0.092 0.000 0.847 532 Q CB -0.220 28.531 28.738 0.023 0.000 0.903 532 Q HN 0.318 nan 8.270 nan 0.000 0.433 533 F N -0.429 119.502 119.950 -0.031 0.000 2.146 533 F HA -0.136 4.391 4.527 -0.001 0.000 0.298 533 F C 2.276 178.057 175.800 -0.032 0.000 1.096 533 F CA 1.364 59.330 58.000 -0.058 0.000 1.275 533 F CB -1.281 37.641 39.000 -0.130 0.000 1.008 533 F HN 0.225 nan 8.300 nan 0.000 0.480 534 H N 0.276 119.368 119.070 0.038 0.000 2.319 534 H HA -0.167 4.388 4.556 -0.001 0.000 0.299 534 H C 2.266 177.616 175.328 0.037 0.000 1.092 534 H CA 2.303 58.326 56.048 -0.041 0.000 1.302 534 H CB -0.279 29.374 29.762 -0.181 0.000 1.373 534 H HN 0.362 nan 8.280 nan 0.000 0.497 535 E N -0.290 119.949 120.200 0.064 0.000 2.038 535 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 535 E C 2.298 178.907 176.600 0.014 0.000 1.000 535 E CA 1.108 57.529 56.400 0.035 0.000 0.803 535 E CB -0.293 29.488 29.700 0.133 0.000 0.750 535 E HN 0.572 nan 8.360 nan 0.000 0.448 536 A N 1.082 123.939 122.820 0.063 0.000 1.898 536 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 536 A C 2.251 179.838 177.584 0.005 0.000 1.181 536 A CA 1.165 53.232 52.037 0.050 0.000 0.620 536 A CB -0.656 18.394 19.000 0.082 0.000 0.819 536 A HN 0.318 nan 8.150 nan 0.000 0.442 537 L N -0.826 120.388 121.223 -0.016 0.000 2.083 537 L HA -0.230 4.109 4.340 -0.001 0.000 0.209 537 L C 2.665 179.500 176.870 -0.059 0.000 1.083 537 L CA 1.099 55.916 54.840 -0.039 0.000 0.752 537 L CB -0.774 41.262 42.059 -0.038 0.000 0.899 537 L HN 0.481 nan 8.230 nan 0.000 0.433 538 c N -0.814 117.714 118.600 -0.120 0.000 2.446 538 c HA -0.145 4.425 4.570 -0.001 0.000 0.277 538 c C 2.892 176.985 174.090 0.005 0.000 1.275 538 c CA 0.524 56.783 56.329 -0.117 0.000 1.727 538 c CB -0.664 41.678 42.510 -0.280 0.000 2.010 538 c HN 0.553 nan 8.230 nan 0.000 0.486 539 Q N 1.417 121.221 119.800 0.006 0.000 2.079 539 Q HA -0.128 4.211 4.340 -0.001 0.000 0.200 539 Q C 2.319 178.329 176.000 0.016 0.000 0.974 539 Q CA 2.212 58.031 55.803 0.027 0.000 0.840 539 Q CB -0.419 28.335 28.738 0.028 0.000 0.898 539 Q HN 0.611 nan 8.270 nan 0.000 0.430 540 A N 0.541 123.364 122.820 0.005 0.000 2.019 540 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 540 A C 2.102 179.685 177.584 -0.002 0.000 1.164 540 A CA 1.566 53.603 52.037 -0.001 0.000 0.644 540 A CB -0.538 18.456 19.000 -0.010 0.000 0.805 540 A HN 0.462 nan 8.150 nan 0.000 0.449 541 A N -1.904 120.918 122.820 0.003 0.000 2.238 541 A HA 0.415 4.735 4.320 -0.001 0.000 0.208 541 A C 1.760 179.358 177.584 0.023 0.000 1.177 541 A CA 1.164 53.206 52.037 0.008 0.000 0.804 541 A CB -0.816 18.189 19.000 0.008 0.000 0.823 541 A HN 1.831 nan 8.150 nan 0.000 0.482 542 G N -1.234 107.582 108.800 0.026 0.000 2.141 542 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.242 542 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.242 542 G C 0.118 175.032 174.900 0.023 0.000 0.982 542 G CA 0.437 45.547 45.100 0.016 0.000 0.662 542 G HN 1.020 nan 8.290 nan 0.000 0.527 543 H N 1.435 120.484 119.070 -0.035 0.000 2.815 543 H HA 0.550 5.106 4.556 -0.001 0.000 0.350 543 H C 0.836 176.141 175.328 -0.038 0.000 1.080 543 H CA 1.380 57.403 56.048 -0.041 0.000 1.433 543 H CB 0.744 30.473 29.762 -0.055 0.000 1.432 543 H HN 0.488 nan 8.280 nan 0.000 0.592 544 T N 1.862 115.973 114.554 -0.739 0.000 2.906 544 T HA 0.670 5.019 4.350 -0.001 0.000 0.295 544 T C 0.292 174.633 174.700 -0.599 0.000 1.075 544 T CA -0.162 61.662 62.100 -0.461 0.000 1.005 544 T CB 1.597 70.319 68.868 -0.242 0.000 1.136 544 T HN 1.245 nan 8.240 nan 0.000 0.498 545 G N 1.715 110.356 108.800 -0.265 0.000 2.660 545 G HA2 0.059 4.018 3.960 -0.001 0.000 0.247 545 G HA3 0.059 4.018 3.960 -0.001 0.000 0.247 545 G C -2.866 172.010 174.900 -0.040 0.000 1.328 545 G CA -0.784 44.221 45.100 -0.157 0.000 0.884 545 G HN 0.899 nan 8.290 nan 0.000 0.531 546 P HA 0.200 nan 4.420 nan 0.000 0.260 546 P C 1.231 178.543 177.300 0.020 0.000 1.172 546 P CA -0.229 62.859 63.100 -0.020 0.000 0.760 546 P CB 0.493 32.099 31.700 -0.157 0.000 0.773 547 L N 4.843 126.107 121.223 0.070 0.000 2.079 547 L HA -0.208 4.131 4.340 -0.001 0.000 0.210 547 L C 2.225 179.109 176.870 0.024 0.000 1.081 547 L CA 1.829 56.726 54.840 0.094 0.000 0.752 547 L CB -1.204 40.969 42.059 0.189 0.000 0.896 547 L HN 0.561 nan 8.230 nan 0.000 0.433 548 H N -1.036 117.899 119.070 -0.225 0.000 2.545 548 H HA -0.088 4.467 4.556 -0.001 0.000 0.282 548 H C 1.296 176.642 175.328 0.031 0.000 1.020 548 H CA 1.102 56.944 56.048 -0.343 0.000 1.243 548 H CB -0.328 29.011 29.762 -0.704 0.000 1.377 548 H HN 0.438 nan 8.280 nan 0.000 0.581 549 K N 0.514 120.669 120.400 -0.409 0.000 2.404 549 K HA 0.090 4.409 4.320 -0.001 0.000 0.194 549 K C 0.529 177.015 176.600 -0.190 0.000 1.023 549 K CA -0.030 56.105 56.287 -0.255 0.000 1.094 549 K CB 0.323 32.683 32.500 -0.233 0.000 0.841 549 K HN 0.175 nan 8.250 nan 0.000 0.523 550 c N 2.195 120.560 118.600 -0.392 0.000 2.593 550 c HA 0.193 4.762 4.570 -0.001 0.000 0.409 550 c C -0.332 173.682 174.090 -0.128 0.000 1.304 550 c CA -0.309 55.614 56.329 -0.675 0.000 2.007 550 c CB -0.025 41.919 42.510 -0.942 0.000 2.614 550 c HN 0.327 nan 8.230 nan 0.000 0.585 551 D N 4.156 124.515 120.400 -0.068 0.000 2.476 551 D HA 0.237 4.877 4.640 -0.001 0.000 0.251 551 D C 0.506 176.883 176.300 0.128 0.000 1.291 551 D CA -0.546 53.518 54.000 0.107 0.000 0.939 551 D CB 0.818 41.706 40.800 0.147 0.000 1.221 551 D HN 0.659 nan 8.370 nan 0.000 0.567 552 I N 1.248 121.929 120.570 0.185 0.000 3.680 552 I HA 0.234 4.404 4.170 -0.001 0.000 0.306 552 I C 0.325 176.523 176.117 0.135 0.000 1.260 552 I CA -0.541 60.843 61.300 0.140 0.000 1.201 552 I CB -0.542 37.528 38.000 0.117 0.000 1.009 552 I HN 0.180 nan 8.210 nan 0.000 0.467 553 Y N 4.576 124.862 120.300 -0.024 0.000 2.895 553 Y HA -0.161 4.388 4.550 -0.001 0.000 0.334 553 Y C 1.588 177.329 175.900 -0.265 0.000 1.261 553 Y CA 1.068 58.896 58.100 -0.453 0.000 1.560 553 Y CB 0.256 38.495 38.460 -0.369 0.000 1.253 553 Y HN 0.690 nan 8.280 nan 0.000 0.582 554 Q N 2.253 121.445 119.800 -1.013 0.000 2.439 554 Q HA -0.303 4.036 4.340 -0.001 0.000 0.247 554 Q C -0.741 175.081 176.000 -0.297 0.000 0.899 554 Q CA 1.177 56.572 55.803 -0.681 0.000 1.201 554 Q CB -1.895 26.412 28.738 -0.719 0.000 1.608 554 Q HN 0.568 nan 8.270 nan 0.000 0.563 555 S N -0.068 115.516 115.700 -0.193 0.000 2.455 555 S HA 0.256 4.725 4.470 -0.001 0.000 0.278 555 S C 0.976 175.524 174.600 -0.086 0.000 1.216 555 S CA -0.547 57.594 58.200 -0.098 0.000 1.055 555 S CB 0.960 64.131 63.200 -0.048 0.000 0.939 555 S HN 0.340 nan 8.310 nan 0.000 0.494 556 K N 4.098 124.452 120.400 -0.075 0.000 2.228 556 K HA 0.006 4.325 4.320 -0.001 0.000 0.202 556 K C 1.560 178.134 176.600 -0.044 0.000 1.051 556 K CA 1.068 57.319 56.287 -0.060 0.000 0.960 556 K CB -0.238 32.229 32.500 -0.054 0.000 0.743 556 K HN 0.639 nan 8.250 nan 0.000 0.458 557 E N 1.100 121.277 120.200 -0.038 0.000 2.077 557 E HA -0.099 4.250 4.350 -0.001 0.000 0.193 557 E C 1.949 178.529 176.600 -0.033 0.000 0.989 557 E CA 1.377 57.759 56.400 -0.030 0.000 0.800 557 E CB -0.328 29.358 29.700 -0.023 0.000 0.746 557 E HN 0.287 nan 8.360 nan 0.000 0.452 558 A N 0.621 123.420 122.820 -0.035 0.000 1.858 558 A HA -0.071 4.248 4.320 -0.001 0.000 0.216 558 A C 2.499 180.055 177.584 -0.047 0.000 1.190 558 A CA 1.823 53.838 52.037 -0.038 0.000 0.617 558 A CB -1.364 17.621 19.000 -0.025 0.000 0.827 558 A HN 0.355 nan 8.150 nan 0.000 0.443 559 G N -1.000 107.776 108.800 -0.041 0.000 2.442 559 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.219 559 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.219 559 G C 1.607 176.480 174.900 -0.045 0.000 1.141 559 G CA 1.441 46.519 45.100 -0.038 0.000 0.763 559 G HN 0.545 nan 8.290 nan 0.000 0.554 560 Q N 0.445 120.220 119.800 -0.042 0.000 2.124 560 Q HA 0.023 4.362 4.340 -0.001 0.000 0.202 560 Q C 2.620 178.592 176.000 -0.047 0.000 0.977 560 Q CA 1.281 57.061 55.803 -0.038 0.000 0.850 560 Q CB -0.258 28.462 28.738 -0.030 0.000 0.901 560 Q HN 0.499 nan 8.270 nan 0.000 0.429 561 R N -0.629 119.836 120.500 -0.057 0.000 2.075 561 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 561 R C 2.335 178.570 176.300 -0.109 0.000 1.126 561 R CA 1.268 57.325 56.100 -0.071 0.000 0.963 561 R CB -0.319 29.936 30.300 -0.076 0.000 0.858 561 R HN 0.303 nan 8.270 nan 0.000 0.435 562 L N 0.112 121.257 121.223 -0.130 0.000 2.093 562 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 562 L C 2.661 179.437 176.870 -0.157 0.000 1.085 562 L CA 1.140 55.874 54.840 -0.177 0.000 0.755 562 L CB -0.564 41.400 42.059 -0.158 0.000 0.904 562 L HN 0.245 nan 8.230 nan 0.000 0.435 563 A N 0.391 123.148 122.820 -0.105 0.000 1.858 563 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 563 A C 2.449 179.997 177.584 -0.060 0.000 1.190 563 A CA 2.362 54.346 52.037 -0.088 0.000 0.617 563 A CB -1.086 17.881 19.000 -0.055 0.000 0.827 563 A HN 0.514 nan 8.150 nan 0.000 0.443 564 T N -1.769 112.761 114.554 -0.041 0.000 2.759 564 T HA -0.034 4.316 4.350 -0.001 0.000 0.269 564 T C 1.897 176.600 174.700 0.004 0.000 1.042 564 T CA 1.957 64.050 62.100 -0.011 0.000 1.140 564 T CB -0.625 68.238 68.868 -0.008 0.000 0.864 564 T HN 0.592 nan 8.240 nan 0.000 0.455 565 A N 1.657 124.465 122.820 -0.019 0.000 1.872 565 A HA 0.205 4.525 4.320 -0.001 0.000 0.214 565 A C 2.576 180.189 177.584 0.049 0.000 1.187 565 A CA 1.515 53.567 52.037 0.025 0.000 0.614 565 A CB -0.757 18.243 19.000 -0.001 0.000 0.826 565 A HN 0.529 nan 8.150 nan 0.000 0.442 566 M N -0.600 118.943 119.600 -0.095 0.000 2.213 566 M HA -0.155 4.324 4.480 -0.001 0.000 0.263 566 M C 1.970 178.371 176.300 0.169 0.000 1.062 566 M CA 1.491 56.685 55.300 -0.177 0.000 1.105 566 M CB -0.350 31.897 32.600 -0.588 0.000 1.385 566 M HN 0.325 nan 8.290 nan 0.000 0.417 567 K N 0.492 120.951 120.400 0.098 0.000 2.280 567 K HA -0.083 4.236 4.320 -0.001 0.000 0.202 567 K C 1.723 178.440 176.600 0.195 0.000 1.047 567 K CA 0.919 57.298 56.287 0.152 0.000 0.942 567 K CB -0.216 32.332 32.500 0.080 0.000 0.739 567 K HN 0.381 nan 8.250 nan 0.000 0.457 568 L N 0.074 121.403 121.223 0.177 0.000 2.275 568 L HA -0.087 4.253 4.340 -0.001 0.000 0.215 568 L C 1.604 178.588 176.870 0.190 0.000 1.119 568 L CA 0.632 55.561 54.840 0.148 0.000 0.790 568 L CB -1.066 41.058 42.059 0.109 0.000 0.919 568 L HN 0.407 nan 8.230 nan 0.000 0.443 569 G N 0.787 109.787 108.800 0.334 0.000 2.651 569 G HA2 -0.430 3.529 3.960 -0.001 0.000 0.315 569 G HA3 -0.430 3.529 3.960 -0.001 0.000 0.315 569 G C 0.188 175.225 174.900 0.228 0.000 1.258 569 G CA 0.717 45.993 45.100 0.294 0.000 1.002 569 G HN 0.252 nan 8.290 nan 0.000 0.551 570 F N 2.331 122.254 119.950 -0.046 0.000 2.772 570 F HA 0.467 4.993 4.527 -0.001 0.000 0.302 570 F C 2.237 178.033 175.800 -0.007 0.000 1.136 570 F CA 0.640 58.621 58.000 -0.031 0.000 1.322 570 F CB 0.155 39.121 39.000 -0.056 0.000 0.967 570 F HN 0.477 nan 8.300 nan 0.000 0.513 571 S N -0.354 115.329 115.700 -0.029 0.000 2.461 571 S HA 0.194 4.663 4.470 -0.001 0.000 0.228 571 S C 0.875 175.390 174.600 -0.142 0.000 1.005 571 S CA 0.124 58.278 58.200 -0.076 0.000 0.942 571 S CB 0.068 63.265 63.200 -0.004 0.000 0.776 571 S HN 0.127 nan 8.310 nan 0.000 0.514 572 R N 0.932 121.338 120.500 -0.158 0.000 2.867 572 R HA 0.565 4.904 4.340 -0.001 0.000 0.268 572 R C -3.347 172.837 176.300 -0.192 0.000 1.014 572 R CA -2.419 53.591 56.100 -0.150 0.000 0.946 572 R CB -0.215 30.041 30.300 -0.074 0.000 1.208 572 R HN 0.066 nan 8.270 nan 0.000 0.477 573 P HA -0.028 nan 4.420 nan 0.000 0.265 573 P C 1.054 178.262 177.300 -0.153 0.000 1.193 573 P CA -0.144 62.837 63.100 -0.199 0.000 0.765 573 P CB 0.246 31.813 31.700 -0.223 0.000 0.823 574 W N 4.215 125.458 121.300 -0.096 0.000 2.341 574 W HA -0.105 4.554 4.660 -0.001 0.000 0.283 574 W C -1.725 174.784 176.519 -0.018 0.000 1.215 574 W CA 0.938 58.185 57.345 -0.163 0.000 1.211 574 W CB -2.859 26.486 29.460 -0.193 0.000 1.131 574 W HN 0.335 nan 8.180 nan 0.000 0.552 575 P HA -0.173 nan 4.420 nan 0.000 0.219 575 P C 1.351 178.658 177.300 0.011 0.000 1.146 575 P CA 2.474 65.367 63.100 -0.345 0.000 0.808 575 P CB -0.245 31.088 31.700 -0.611 0.000 0.779 576 E N -0.638 119.555 120.200 -0.011 0.000 2.072 576 E HA -0.095 4.255 4.350 -0.001 0.000 0.190 576 E C 2.099 178.769 176.600 0.117 0.000 0.982 576 E CA 1.041 57.462 56.400 0.035 0.000 0.803 576 E CB -0.470 29.226 29.700 -0.006 0.000 0.755 576 E HN 0.153 nan 8.360 nan 0.000 0.453 577 A N 1.115 124.029 122.820 0.157 0.000 1.930 577 A HA -0.194 4.125 4.320 -0.001 0.000 0.217 577 A C 2.110 179.942 177.584 0.414 0.000 1.175 577 A CA 1.413 53.592 52.037 0.236 0.000 0.627 577 A CB -0.389 18.713 19.000 0.171 0.000 0.815 577 A HN 0.201 nan 8.150 nan 0.000 0.443 578 M N -0.366 119.599 119.600 0.607 0.000 2.117 578 M HA -0.176 4.303 4.480 -0.001 0.000 0.262 578 M C 2.108 178.619 176.300 0.353 0.000 1.065 578 M CA 2.370 58.069 55.300 0.664 0.000 1.114 578 M CB -0.629 32.482 32.600 0.851 0.000 1.361 578 M HN 0.498 nan 8.290 nan 0.000 0.408 579 Q N -0.282 119.667 119.800 0.249 0.000 2.084 579 Q HA -0.111 4.229 4.340 -0.001 0.000 0.202 579 Q C 1.991 178.057 176.000 0.111 0.000 0.978 579 Q CA 1.941 57.835 55.803 0.153 0.000 0.844 579 Q CB -0.325 28.473 28.738 0.100 0.000 0.898 579 Q HN 0.647 nan 8.270 nan 0.000 0.426 580 L N -0.103 121.180 121.223 0.100 0.000 2.079 580 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 580 L C 2.172 179.055 176.870 0.022 0.000 1.081 580 L CA 1.142 56.014 54.840 0.054 0.000 0.752 580 L CB -0.335 41.753 42.059 0.049 0.000 0.896 580 L HN 0.363 nan 8.230 nan 0.000 0.433 581 I N -1.104 119.472 120.570 0.010 0.000 2.339 581 I HA -0.164 4.005 4.170 -0.001 0.000 0.245 581 I C 2.431 178.554 176.117 0.009 0.000 1.096 581 I CA 1.635 62.889 61.300 -0.078 0.000 1.408 581 I CB -0.275 37.521 38.000 -0.340 0.000 1.092 581 I HN 0.314 nan 8.210 nan 0.000 0.423 582 T N -2.663 111.950 114.554 0.097 0.000 3.022 582 T HA 0.304 4.653 4.350 -0.001 0.000 0.250 582 T C 1.553 176.318 174.700 0.110 0.000 1.060 582 T CA 0.506 62.686 62.100 0.134 0.000 1.013 582 T CB 0.731 69.729 68.868 0.217 0.000 0.982 582 T HN 0.496 nan 8.240 nan 0.000 0.508 583 G N 1.364 110.223 108.800 0.097 0.000 2.179 583 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.260 583 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.260 583 G C -0.182 174.772 174.900 0.090 0.000 0.977 583 G CA 0.414 45.562 45.100 0.079 0.000 0.641 583 G HN 1.065 nan 8.290 nan 0.000 0.533 584 Q N -1.583 118.290 119.800 0.120 0.000 2.511 584 Q HA 0.775 5.114 4.340 -0.001 0.000 0.289 584 Q C -2.652 173.446 176.000 0.163 0.000 1.021 584 Q CA -1.364 54.513 55.803 0.123 0.000 0.785 584 Q CB 1.991 30.802 28.738 0.122 0.000 1.472 584 Q HN 0.094 nan 8.270 nan 0.000 0.411 585 P HA 0.126 nan 4.420 nan 0.000 0.264 585 P C -0.897 176.549 177.300 0.244 0.000 1.259 585 P CA 0.168 63.363 63.100 0.159 0.000 0.841 585 P CB 0.549 32.276 31.700 0.046 0.000 1.232 586 N N -0.233 118.628 118.700 0.269 0.000 2.482 586 N HA 0.398 5.137 4.740 -0.001 0.000 0.279 586 N C 0.089 175.843 175.510 0.406 0.000 1.182 586 N CA -0.811 52.452 53.050 0.354 0.000 0.969 586 N CB 0.780 39.410 38.487 0.237 0.000 1.201 586 N HN -0.169 nan 8.380 nan 0.000 0.523 587 M N 0.918 120.770 119.600 0.420 0.000 2.250 587 M HA 0.268 4.748 4.480 -0.001 0.000 0.344 587 M C -0.245 176.164 176.300 0.182 0.000 1.150 587 M CA 0.226 55.676 55.300 0.250 0.000 1.147 587 M CB 1.180 33.894 32.600 0.189 0.000 1.498 587 M HN 0.448 nan 8.290 nan 0.000 0.461 588 S N 0.518 116.287 115.700 0.116 0.000 2.543 588 S HA 0.602 5.071 4.470 -0.001 0.000 0.273 588 S C -0.111 174.526 174.600 0.061 0.000 1.152 588 S CA -0.352 57.907 58.200 0.100 0.000 0.910 588 S CB 1.572 64.840 63.200 0.114 0.000 1.105 588 S HN 0.750 nan 8.310 nan 0.000 0.465 589 A N 2.985 125.834 122.820 0.049 0.000 2.208 589 A HA 0.224 4.544 4.320 -0.001 0.000 0.209 589 A C 1.949 179.556 177.584 0.038 0.000 1.161 589 A CA 1.149 53.198 52.037 0.020 0.000 0.782 589 A CB -0.659 18.343 19.000 0.002 0.000 0.816 589 A HN 0.775 nan 8.150 nan 0.000 0.477 590 S N 0.438 116.175 115.700 0.062 0.000 2.365 590 S HA -0.207 4.263 4.470 -0.001 0.000 0.225 590 S C 2.358 177.015 174.600 0.095 0.000 1.039 590 S CA 1.514 59.759 58.200 0.075 0.000 1.033 590 S CB -0.417 62.833 63.200 0.082 0.000 0.887 590 S HN 0.831 nan 8.310 nan 0.000 0.447 591 A N 1.281 124.170 122.820 0.115 0.000 1.883 591 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 591 A C 2.157 179.846 177.584 0.175 0.000 1.186 591 A CA 1.926 54.064 52.037 0.169 0.000 0.624 591 A CB -0.671 18.448 19.000 0.198 0.000 0.822 591 A HN 0.545 nan 8.150 nan 0.000 0.444 592 M N -0.591 119.049 119.600 0.068 0.000 2.117 592 M HA -0.083 4.397 4.480 -0.001 0.000 0.262 592 M C 1.895 178.209 176.300 0.023 0.000 1.065 592 M CA 1.548 56.726 55.300 -0.205 0.000 1.114 592 M CB -0.257 32.136 32.600 -0.345 0.000 1.361 592 M HN 0.422 nan 8.290 nan 0.000 0.408 593 L N -0.919 120.341 121.223 0.061 0.000 2.046 593 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 593 L C 2.705 179.658 176.870 0.140 0.000 1.077 593 L CA 1.456 56.358 54.840 0.103 0.000 0.747 593 L CB -0.841 41.255 42.059 0.061 0.000 0.896 593 L HN 0.419 nan 8.230 nan 0.000 0.432 594 S N -0.688 115.091 115.700 0.132 0.000 2.368 594 S HA -0.269 4.200 4.470 -0.001 0.000 0.225 594 S C 2.095 176.782 174.600 0.146 0.000 1.030 594 S CA 1.114 59.394 58.200 0.133 0.000 0.999 594 S CB -0.406 62.875 63.200 0.134 0.000 0.844 594 S HN 0.468 nan 8.310 nan 0.000 0.459 595 Y N 0.672 120.979 120.300 0.012 0.000 2.165 595 Y HA -0.097 4.452 4.550 -0.001 0.000 0.286 595 Y C 1.371 177.105 175.900 -0.276 0.000 1.155 595 Y CA 2.065 60.101 58.100 -0.107 0.000 1.164 595 Y CB -0.319 38.007 38.460 -0.224 0.000 0.978 595 Y HN 0.386 nan 8.280 nan 0.000 0.513 596 F N -0.228 119.815 119.950 0.156 0.000 2.693 596 F HA 0.149 4.676 4.527 -0.001 0.000 0.303 596 F C 1.938 177.741 175.800 0.004 0.000 1.097 596 F CA 0.050 58.074 58.000 0.040 0.000 1.330 596 F CB -0.058 38.955 39.000 0.021 0.000 1.067 596 F HN -0.092 nan 8.300 nan 0.000 0.565 597 K N 2.116 122.607 120.400 0.151 0.000 2.059 597 K HA -0.183 4.136 4.320 -0.001 0.000 0.212 597 K C -1.040 175.620 176.600 0.100 0.000 1.050 597 K CA 2.095 58.450 56.287 0.113 0.000 0.927 597 K CB -1.513 31.041 32.500 0.090 0.000 0.714 597 K HN 0.078 nan 8.250 nan 0.000 0.447 598 P HA -0.131 nan 4.420 nan 0.000 0.215 598 P C 1.297 178.669 177.300 0.121 0.000 1.153 598 P CA 0.983 64.126 63.100 0.072 0.000 0.853 598 P CB -0.021 31.678 31.700 -0.001 0.000 0.788 599 L N -0.940 120.349 121.223 0.111 0.000 2.056 599 L HA -0.105 4.234 4.340 -0.001 0.000 0.207 599 L C 2.134 179.121 176.870 0.194 0.000 1.078 599 L CA 1.566 56.505 54.840 0.164 0.000 0.749 599 L CB -1.467 40.698 42.059 0.177 0.000 0.901 599 L HN -0.139 nan 8.230 nan 0.000 0.433 600 L N -0.394 120.918 121.223 0.149 0.000 2.012 600 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 600 L C 2.065 178.993 176.870 0.097 0.000 1.073 600 L CA 2.024 56.926 54.840 0.103 0.000 0.748 600 L CB -0.997 41.111 42.059 0.082 0.000 0.891 600 L HN 0.332 nan 8.230 nan 0.000 0.431 601 D N -1.410 119.058 120.400 0.113 0.000 2.117 601 D HA -0.254 4.385 4.640 -0.001 0.000 0.197 601 D C 1.813 178.173 176.300 0.101 0.000 0.987 601 D CA 1.551 55.607 54.000 0.092 0.000 0.829 601 D CB -0.466 40.394 40.800 0.100 0.000 0.961 601 D HN 0.596 nan 8.370 nan 0.000 0.460 602 W N 1.541 122.843 121.300 0.003 0.000 2.381 602 W HA -0.059 4.601 4.660 -0.001 0.000 0.301 602 W C 2.097 178.582 176.519 -0.057 0.000 1.205 602 W CA 0.908 58.247 57.345 -0.009 0.000 1.285 602 W CB -0.333 29.128 29.460 0.002 0.000 1.133 602 W HN -0.107 nan 8.180 nan 0.000 0.521 603 L N 0.160 121.445 121.223 0.102 0.000 2.056 603 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 603 L C 2.684 179.473 176.870 -0.136 0.000 1.078 603 L CA 1.474 56.279 54.840 -0.058 0.000 0.749 603 L CB -0.736 41.357 42.059 0.057 0.000 0.901 603 L HN -0.075 nan 8.230 nan 0.000 0.433 604 R N -0.885 119.568 120.500 -0.079 0.000 2.075 604 R HA -0.119 4.220 4.340 -0.001 0.000 0.232 604 R C 2.280 178.501 176.300 -0.131 0.000 1.126 604 R CA 1.851 57.907 56.100 -0.074 0.000 0.963 604 R CB -0.486 29.792 30.300 -0.037 0.000 0.858 604 R HN 0.299 nan 8.270 nan 0.000 0.435 605 T N 0.554 114.993 114.554 -0.192 0.000 2.746 605 T HA -0.171 4.179 4.350 -0.001 0.000 0.267 605 T C 1.635 176.143 174.700 -0.320 0.000 1.039 605 T CA 1.642 63.603 62.100 -0.231 0.000 1.142 605 T CB -0.141 68.583 68.868 -0.240 0.000 0.866 605 T HN 0.279 nan 8.240 nan 0.000 0.444 606 E N 1.694 121.585 120.200 -0.515 0.000 2.047 606 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 606 E C 2.085 178.614 176.600 -0.119 0.000 0.987 606 E CA 1.260 57.373 56.400 -0.477 0.000 0.799 606 E CB -0.311 28.837 29.700 -0.920 0.000 0.752 606 E HN 0.266 nan 8.360 nan 0.000 0.449 607 N N 0.592 119.245 118.700 -0.078 0.000 2.188 607 N HA -0.170 4.569 4.740 -0.001 0.000 0.184 607 N C 1.657 177.168 175.510 0.002 0.000 1.018 607 N CA 1.289 54.361 53.050 0.037 0.000 0.858 607 N CB -0.294 38.214 38.487 0.036 0.000 0.989 607 N HN 0.455 nan 8.380 nan 0.000 0.426 608 E N 1.001 121.163 120.200 -0.063 0.000 2.047 608 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 608 E C 1.903 178.447 176.600 -0.094 0.000 0.987 608 E CA 0.916 57.275 56.400 -0.068 0.000 0.799 608 E CB -0.010 29.642 29.700 -0.080 0.000 0.752 608 E HN 0.306 nan 8.360 nan 0.000 0.449 609 L N -1.361 119.760 121.223 -0.170 0.000 2.275 609 L HA -0.011 4.328 4.340 -0.001 0.000 0.215 609 L C 1.514 178.213 176.870 -0.286 0.000 1.119 609 L CA 1.708 56.401 54.840 -0.244 0.000 0.790 609 L CB -0.591 41.268 42.059 -0.334 0.000 0.919 609 L HN 0.070 nan 8.230 nan 0.000 0.443 610 H N 0.345 119.377 119.070 -0.063 0.000 2.539 610 H HA 0.415 4.970 4.556 -0.001 0.000 0.269 610 H C 1.423 176.721 175.328 -0.049 0.000 0.980 610 H CA 0.306 56.322 56.048 -0.053 0.000 1.152 610 H CB 0.252 29.983 29.762 -0.052 0.000 1.407 610 H HN 0.503 nan 8.280 nan 0.000 0.564 611 G N 1.508 110.328 108.800 0.033 0.000 2.273 611 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.280 611 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.280 611 G C -0.307 174.605 174.900 0.020 0.000 1.047 611 G CA -0.072 45.036 45.100 0.013 0.000 0.869 611 G HN 0.328 nan 8.290 nan 0.000 0.502 612 E N -0.064 120.157 120.200 0.035 0.000 2.392 612 E HA 0.201 4.550 4.350 -0.001 0.000 0.264 612 E C 0.546 177.160 176.600 0.024 0.000 1.024 612 E CA -0.079 56.340 56.400 0.031 0.000 0.903 612 E CB 1.106 30.837 29.700 0.052 0.000 0.963 612 E HN 0.509 nan 8.360 nan 0.000 0.432 613 K N 4.374 124.790 120.400 0.028 0.000 2.299 613 K HA 0.220 4.539 4.320 -0.001 0.000 0.268 613 K C -0.237 176.387 176.600 0.039 0.000 1.075 613 K CA -0.420 55.880 56.287 0.022 0.000 0.936 613 K CB 0.186 32.699 32.500 0.021 0.000 1.228 613 K HN 0.405 nan 8.250 nan 0.000 0.454 614 L N 3.779 125.011 121.223 0.014 0.000 2.485 614 L HA 0.187 4.527 4.340 -0.001 0.000 0.275 614 L C 1.031 177.857 176.870 -0.073 0.000 1.207 614 L CA 0.938 55.781 54.840 0.006 0.000 0.855 614 L CB 0.126 42.168 42.059 -0.029 0.000 1.114 614 L HN 1.062 nan 8.230 nan 0.000 0.485 615 G N 2.566 111.301 108.800 -0.108 0.000 2.660 615 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.215 615 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.215 615 G C -1.355 173.523 174.900 -0.036 0.000 1.345 615 G CA -0.062 44.739 45.100 -0.498 0.000 0.877 615 G HN 0.998 nan 8.290 nan 0.000 0.549 616 W N -1.268 120.040 121.300 0.014 0.000 2.409 616 W HA 0.632 5.291 4.660 -0.002 0.000 0.285 616 W C -0.788 175.749 176.519 0.031 0.000 1.030 616 W CA -1.139 56.231 57.345 0.042 0.000 1.330 616 W CB 0.245 29.743 29.460 0.063 0.000 1.236 616 W HN 0.621 nan 8.180 nan 0.000 0.341 617 P HA -0.039 nan 4.420 nan 0.000 0.215 617 P C 0.199 177.557 177.300 0.096 0.000 1.157 617 P CA 2.757 65.879 63.100 0.037 0.000 0.874 617 P CB 0.359 32.072 31.700 0.021 0.000 0.790 618 Q N 0.000 119.877 119.800 0.128 0.000 2.315 618 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 618 Q CA 0.000 nan 55.803 nan 0.000 1.022 618 Q CB 0.000 nan 28.738 nan 0.000 1.108 618 Q HN 0.000 nan 8.270 nan 0.000 0.481