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 3nwf_1_D DATA FIRST_RESID 102 DATA SEQUENCE RDIKAENTDA NFYVcPPPTG ATVVQFEQPR RcPTRPEGQN YTEGIAVVFK DATA SEQUENCE ENIAPYKFKA TMYYKDVTVS QVWFGHRYSQ FMGIFEDRAP VPFEEVIDKI DATA SEQUENCE NAKGVcRSTA KYVRNNLETT AFHRDDHETD MELKPANAAT RTSRGWHTTD DATA SEQUENCE LKYNPSRVXX XHRYGTTVNc IVEEVDARSV YPYDEFVLAT GDFVYMSPFY DATA SEQUENCE GYREGSHTEH TSYAADRFKQ VDGFYARDLT TKARATAPTT RNLLTTPKFT DATA SEQUENCE VAWDWVPKRP SVcTMTKWQE VDEMLRSEYG GSFRFSSDAI STTFTTNLTE DATA SEQUENCE YPLSRVDLGD cIGKDARDAM DRIFARRYNA THIKVGQPQY YLANGGFLIA DATA SEQUENCE YQPLLSNTLA ELYVREHLRE QSRKPPXXXX XXXXXXXXXX VERIKTTSSI DATA SEQUENCE EFARLQFTYN HIQRHVNDML GRVAIAWcEL QNHELTLWNE ARKLNPNAIA DATA SEQUENCE SVTVGRRVSA RMLGDVMAVS TcVPVAADNV IVQNSMRISS RPGAcYSRPL DATA SEQUENCE VSFRYEDQGP LVEGQLGENN ELRLTRDAIE PcTVGHRRYF TFGGGYVYFE DATA SEQUENCE EYAYSHQLSR ADITTVSTFI DLNITMLEDH EFVPLEVYTR HEIKDSGLLD DATA SEQUENCE YTEVQRRNQL HDLRFADIDT VI 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 102 R HA 0.000 nan 4.340 nan 0.000 0.208 102 R C 0.000 176.284 176.300 -0.026 0.000 0.893 102 R CA 0.000 56.095 56.100 -0.008 0.000 0.921 102 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 103 D N 0.464 120.851 120.400 -0.023 0.000 2.233 103 D HA 0.499 5.139 4.640 -0.000 0.000 0.240 103 D C -0.557 175.722 176.300 -0.035 0.000 1.074 103 D CA -0.658 53.321 54.000 -0.036 0.000 0.838 103 D CB 1.617 42.403 40.800 -0.023 0.000 1.124 103 D HN 0.284 nan 8.370 nan 0.000 0.475 104 I N 2.186 122.708 120.570 -0.080 0.000 2.282 104 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 104 I C 1.186 177.320 176.117 0.029 0.000 1.090 104 I CA -0.302 60.948 61.300 -0.084 0.000 1.231 104 I CB 0.112 37.914 38.000 -0.329 0.000 1.434 104 I HN 0.211 nan 8.210 nan 0.000 0.487 105 K N 4.053 124.506 120.400 0.090 0.000 2.583 105 K HA 0.883 5.203 4.320 -0.000 0.000 0.266 105 K C 0.359 177.121 176.600 0.271 0.000 1.037 105 K CA -0.159 56.215 56.287 0.145 0.000 0.996 105 K CB 0.050 32.595 32.500 0.075 0.000 1.307 105 K HN 0.692 nan 8.250 nan 0.000 0.502 106 A N 0.905 123.816 122.820 0.152 0.000 2.310 106 A HA 0.365 4.685 4.320 -0.000 0.000 0.300 106 A C 0.771 178.413 177.584 0.096 0.000 1.269 106 A CA -0.168 51.906 52.037 0.061 0.000 0.909 106 A CB -0.323 18.543 19.000 -0.223 0.000 1.144 106 A HN 0.773 nan 8.150 nan 0.000 0.540 107 E N 1.829 122.136 120.200 0.179 0.000 2.153 107 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 107 E C 0.200 176.851 176.600 0.085 0.000 0.988 107 E CA 0.631 57.116 56.400 0.141 0.000 0.811 107 E CB 0.105 29.918 29.700 0.188 0.000 0.746 107 E HN 0.658 nan 8.360 nan 0.000 0.466 108 N N 0.394 119.129 118.700 0.058 0.000 2.437 108 N HA 0.018 4.758 4.740 -0.000 0.000 0.259 108 N C 0.573 176.063 175.510 -0.033 0.000 0.983 108 N CA 0.081 53.139 53.050 0.013 0.000 0.937 108 N CB 1.546 40.036 38.487 0.006 0.000 1.122 108 N HN 0.010 nan 8.380 nan 0.000 0.499 109 T N -1.499 113.043 114.554 -0.021 0.000 2.942 109 T HA -0.006 4.344 4.350 -0.000 0.000 0.265 109 T C 0.860 175.524 174.700 -0.059 0.000 1.062 109 T CA 0.862 62.944 62.100 -0.030 0.000 1.139 109 T CB -0.780 68.082 68.868 -0.010 0.000 0.883 109 T HN 0.486 nan 8.240 nan 0.000 0.468 110 D N 0.989 121.353 120.400 -0.060 0.000 2.478 110 D HA 0.497 5.137 4.640 -0.000 0.000 0.234 110 D C 0.560 176.783 176.300 -0.128 0.000 1.154 110 D CA 0.454 54.410 54.000 -0.073 0.000 0.874 110 D CB -0.807 39.960 40.800 -0.055 0.000 1.198 110 D HN 1.486 nan 8.370 nan 0.000 0.455 111 A N 1.197 123.943 122.820 -0.123 0.000 2.454 111 A HA 0.099 4.419 4.320 -0.000 0.000 0.685 111 A C -0.065 177.360 177.584 -0.265 0.000 0.152 111 A CA 0.268 52.200 52.037 -0.174 0.000 0.038 111 A CB -0.984 17.891 19.000 -0.209 0.000 3.970 111 A HN 1.140 nan 8.150 nan 0.000 0.548 112 N N -1.015 117.504 118.700 -0.302 0.000 2.629 112 N HA 0.872 5.612 4.740 -0.000 0.000 0.279 112 N C -0.772 174.386 175.510 -0.586 0.000 1.344 112 N CA -0.369 52.450 53.050 -0.385 0.000 0.789 112 N CB 0.658 38.981 38.487 -0.274 0.000 1.508 112 N HN 0.500 nan 8.380 nan 0.000 0.516 113 F N 0.126 119.834 119.950 -0.403 0.000 2.410 113 F HA 0.525 5.052 4.527 -0.000 0.000 0.324 113 F C -0.365 175.066 175.800 -0.614 0.000 1.093 113 F CA -0.281 57.511 58.000 -0.347 0.000 1.028 113 F CB 0.698 39.519 39.000 -0.300 0.000 1.309 113 F HN 0.258 nan 8.300 nan 0.000 0.499 114 Y N -0.492 119.844 120.300 0.059 0.000 2.401 114 Y HA 0.481 5.031 4.550 -0.000 0.000 0.330 114 Y C -0.937 174.938 175.900 -0.042 0.000 1.071 114 Y CA -1.191 56.912 58.100 0.005 0.000 1.049 114 Y CB 1.627 40.093 38.460 0.010 0.000 1.239 114 Y HN 0.138 nan 8.280 nan 0.000 0.437 115 V N 3.070 123.043 119.914 0.098 0.000 2.385 115 V HA 0.181 4.301 4.120 -0.000 0.000 0.269 115 V C -0.344 175.840 176.094 0.150 0.000 1.043 115 V CA -0.479 61.870 62.300 0.083 0.000 0.906 115 V CB 0.374 32.294 31.823 0.162 0.000 0.995 115 V HN 0.898 nan 8.190 nan 0.000 0.467 116 c N 7.995 126.664 118.600 0.115 0.000 2.225 116 c HA 0.432 5.002 4.570 -0.000 0.000 0.323 116 c C -2.244 171.900 174.090 0.090 0.000 1.164 116 c CA -1.468 54.921 56.329 0.099 0.000 1.565 116 c CB 0.205 42.758 42.510 0.073 0.000 2.124 116 c HN 0.651 nan 8.230 nan 0.000 0.461 117 P HA 0.269 nan 4.420 nan 0.000 0.286 117 P C -2.512 174.824 177.300 0.059 0.000 1.321 117 P CA -1.354 61.794 63.100 0.080 0.000 0.790 117 P CB 0.003 31.752 31.700 0.082 0.000 0.897 118 P HA -0.065 nan 4.420 nan 0.000 0.257 118 P C -2.074 175.248 177.300 0.036 0.000 1.153 118 P CA -0.169 62.956 63.100 0.041 0.000 0.762 118 P CB -0.845 30.878 31.700 0.038 0.000 0.743 119 P HA 0.021 nan 4.420 nan 0.000 0.271 119 P C -0.144 177.169 177.300 0.021 0.000 1.218 119 P CA 0.066 63.182 63.100 0.027 0.000 0.780 119 P CB 0.421 32.135 31.700 0.023 0.000 0.901 120 T N -1.952 112.614 114.554 0.020 0.000 2.874 120 T HA 0.376 4.726 4.350 -0.000 0.000 0.281 120 T C 1.584 176.291 174.700 0.012 0.000 0.994 120 T CA -0.302 61.807 62.100 0.015 0.000 1.015 120 T CB 0.555 69.432 68.868 0.015 0.000 1.028 120 T HN 0.429 nan 8.240 nan 0.000 0.523 121 G N -0.505 108.300 108.800 0.009 0.000 2.990 121 G HA2 0.248 4.208 3.960 -0.000 0.000 0.206 121 G HA3 0.248 4.208 3.960 -0.000 0.000 0.206 121 G C 1.363 176.267 174.900 0.006 0.000 1.169 121 G CA 0.249 45.352 45.100 0.005 0.000 0.819 121 G HN 1.029 nan 8.290 nan 0.000 0.517 122 A N -0.084 122.741 122.820 0.008 0.000 1.902 122 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 122 A C 1.387 178.976 177.584 0.008 0.000 1.181 122 A CA 1.374 53.416 52.037 0.008 0.000 0.623 122 A CB -0.012 18.994 19.000 0.010 0.000 0.818 122 A HN 0.252 nan 8.150 nan 0.000 0.443 123 T N 0.164 114.723 114.554 0.009 0.000 2.847 123 T HA 0.535 4.885 4.350 -0.000 0.000 0.291 123 T C -0.640 174.065 174.700 0.009 0.000 0.998 123 T CA -0.074 62.032 62.100 0.010 0.000 0.967 123 T CB 1.355 70.230 68.868 0.013 0.000 0.954 123 T HN 0.652 nan 8.240 nan 0.000 0.441 124 V N 1.027 120.945 119.914 0.006 0.000 2.864 124 V HA 1.014 5.134 4.120 -0.000 0.000 0.314 124 V C -0.287 175.810 176.094 0.006 0.000 1.073 124 V CA -1.128 61.173 62.300 0.002 0.000 0.956 124 V CB 1.593 33.413 31.823 -0.005 0.000 1.023 124 V HN 0.805 nan 8.190 nan 0.000 0.435 125 V N 1.321 121.238 119.914 0.005 0.000 3.007 125 V HA 0.852 4.972 4.120 -0.000 0.000 0.311 125 V C -0.769 175.331 176.094 0.009 0.000 1.120 125 V CA -0.588 61.726 62.300 0.023 0.000 0.980 125 V CB 1.553 33.407 31.823 0.052 0.000 1.033 125 V HN 1.334 nan 8.190 nan 0.000 0.429 126 Q N 2.259 122.084 119.800 0.042 0.000 2.433 126 Q HA 0.642 4.982 4.340 -0.000 0.000 0.279 126 Q C -1.302 174.822 176.000 0.207 0.000 1.105 126 Q CA -0.855 54.969 55.803 0.034 0.000 0.815 126 Q CB 2.692 31.440 28.738 0.015 0.000 1.403 126 Q HN 0.718 nan 8.270 nan 0.000 0.435 127 F N 0.801 120.736 119.950 -0.025 0.000 2.418 127 F HA 0.126 4.653 4.527 -0.000 0.000 0.341 127 F C 0.946 176.726 175.800 -0.033 0.000 1.120 127 F CA -0.783 57.192 58.000 -0.041 0.000 1.232 127 F CB 1.082 40.062 39.000 -0.034 0.000 1.175 127 F HN 0.679 nan 8.300 nan 0.000 0.569 128 E N 3.242 123.507 120.200 0.109 0.000 2.351 128 E HA -0.026 4.324 4.350 -0.000 0.000 0.266 128 E C -0.392 176.241 176.600 0.056 0.000 1.031 128 E CA -0.767 55.659 56.400 0.044 0.000 0.911 128 E CB 0.631 30.321 29.700 -0.017 0.000 0.986 128 E HN 0.425 nan 8.360 nan 0.000 0.446 129 Q N 3.557 123.392 119.800 0.057 0.000 2.396 129 Q HA 0.278 4.618 4.340 -0.000 0.000 0.221 129 Q C -2.087 173.936 176.000 0.037 0.000 1.025 129 Q CA -1.920 53.917 55.803 0.056 0.000 0.946 129 Q CB -0.380 28.387 28.738 0.047 0.000 1.224 129 Q HN 0.515 nan 8.270 nan 0.000 0.539 130 P HA -0.025 nan 4.420 nan 0.000 0.264 130 P C -0.318 176.999 177.300 0.029 0.000 1.179 130 P CA 0.540 63.660 63.100 0.034 0.000 0.763 130 P CB 0.502 32.225 31.700 0.038 0.000 0.806 131 R N 2.060 122.576 120.500 0.027 0.000 2.543 131 R HA 0.363 4.703 4.340 -0.000 0.000 0.268 131 R C 0.547 176.866 176.300 0.031 0.000 1.067 131 R CA -0.780 55.336 56.100 0.028 0.000 1.142 131 R CB 0.790 31.108 30.300 0.030 0.000 1.110 131 R HN 0.423 nan 8.270 nan 0.000 0.549 132 R N 1.365 121.882 120.500 0.028 0.000 2.205 132 R HA 0.159 4.499 4.340 -0.000 0.000 0.342 132 R C -0.602 175.716 176.300 0.030 0.000 1.058 132 R CA -0.311 55.806 56.100 0.028 0.000 0.904 132 R CB 0.287 30.600 30.300 0.023 0.000 1.089 132 R HN 0.579 nan 8.270 nan 0.000 0.471 133 c N 5.764 124.385 118.600 0.034 0.000 2.689 133 c HA 0.217 4.787 4.570 -0.000 0.000 0.409 133 c C -1.327 172.781 174.090 0.030 0.000 1.293 133 c CA -1.027 55.324 56.329 0.037 0.000 2.136 133 c CB 0.250 42.783 42.510 0.039 0.000 2.719 133 c HN 0.680 nan 8.230 nan 0.000 0.644 134 P HA 0.241 nan 4.420 nan 0.000 0.278 134 P C -0.480 176.831 177.300 0.018 0.000 1.270 134 P CA 0.140 63.254 63.100 0.023 0.000 0.800 134 P CB 0.234 31.948 31.700 0.023 0.000 1.142 135 T N -3.346 111.215 114.554 0.013 0.000 2.912 135 T HA 0.436 4.786 4.350 -0.000 0.000 0.299 135 T C -0.296 174.408 174.700 0.006 0.000 1.052 135 T CA -1.161 60.945 62.100 0.010 0.000 0.996 135 T CB 1.059 69.933 68.868 0.009 0.000 1.070 135 T HN 0.140 nan 8.240 nan 0.000 0.465 136 R N 2.789 123.291 120.500 0.004 0.000 2.483 136 R HA 0.183 4.523 4.340 -0.000 0.000 0.329 136 R C -2.152 174.149 176.300 0.002 0.000 0.961 136 R CA -0.884 55.216 56.100 -0.000 0.000 1.041 136 R CB -0.387 29.912 30.300 -0.003 0.000 0.930 136 R HN 0.511 nan 8.270 nan 0.000 0.413 137 P HA -0.040 nan 4.420 nan 0.000 0.266 137 P C -0.579 176.726 177.300 0.008 0.000 1.195 137 P CA 0.062 63.165 63.100 0.005 0.000 0.768 137 P CB 0.497 32.202 31.700 0.008 0.000 0.838 138 E N 1.189 121.394 120.200 0.008 0.000 2.417 138 E HA 0.158 4.508 4.350 -0.000 0.000 0.261 138 E C 0.974 177.583 176.600 0.016 0.000 1.000 138 E CA -0.038 56.369 56.400 0.010 0.000 0.919 138 E CB 0.369 30.074 29.700 0.007 0.000 0.955 138 E HN 0.529 nan 8.360 nan 0.000 0.455 139 G N 2.650 111.463 108.800 0.021 0.000 2.594 139 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.243 139 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.243 139 G C -0.012 174.902 174.900 0.022 0.000 1.229 139 G CA -0.494 44.625 45.100 0.031 0.000 0.843 139 G HN 0.350 nan 8.290 nan 0.000 0.578 140 Q N 0.422 120.225 119.800 0.006 0.000 2.332 140 Q HA 0.044 4.384 4.340 -0.000 0.000 0.263 140 Q C 0.136 176.033 176.000 -0.171 0.000 0.979 140 Q CA -0.066 55.671 55.803 -0.110 0.000 0.885 140 Q CB 0.503 29.098 28.738 -0.238 0.000 1.218 140 Q HN 0.538 nan 8.270 nan 0.000 0.405 141 N N 3.706 122.305 118.700 -0.168 0.000 2.458 141 N HA 0.132 4.872 4.740 -0.000 0.000 0.270 141 N C -0.871 174.516 175.510 -0.205 0.000 1.102 141 N CA 0.144 53.142 53.050 -0.086 0.000 0.967 141 N CB 0.538 39.013 38.487 -0.020 0.000 1.078 141 N HN 0.360 nan 8.380 nan 0.000 0.471 142 Y N 0.148 120.470 120.300 0.036 0.000 2.457 142 Y HA 0.299 4.849 4.550 -0.000 0.000 0.333 142 Y C 0.798 176.736 175.900 0.064 0.000 1.119 142 Y CA -0.538 57.587 58.100 0.041 0.000 1.143 142 Y CB 1.586 40.066 38.460 0.032 0.000 1.230 142 Y HN 0.246 nan 8.280 nan 0.000 0.469 143 T N 1.900 116.599 114.554 0.242 0.000 2.797 143 T HA 0.297 4.647 4.350 -0.000 0.000 0.279 143 T C -0.603 174.233 174.700 0.226 0.000 0.991 143 T CA -1.015 61.206 62.100 0.201 0.000 0.979 143 T CB 0.832 69.815 68.868 0.191 0.000 0.943 143 T HN 0.476 nan 8.240 nan 0.000 0.444 144 E N 1.013 121.303 120.200 0.150 0.000 2.366 144 E HA 0.571 4.921 4.350 -0.000 0.000 0.266 144 E C 0.251 176.841 176.600 -0.016 0.000 1.051 144 E CA -0.423 56.034 56.400 0.096 0.000 0.884 144 E CB 1.042 30.783 29.700 0.069 0.000 1.006 144 E HN 0.821 nan 8.360 nan 0.000 0.417 145 G N 1.479 110.257 108.800 -0.038 0.000 2.601 145 G HA2 0.435 4.395 3.960 -0.000 0.000 0.291 145 G HA3 0.435 4.395 3.960 -0.000 0.000 0.291 145 G C -1.351 173.475 174.900 -0.124 0.000 1.456 145 G CA -0.828 44.121 45.100 -0.253 0.000 0.804 145 G HN 0.386 nan 8.290 nan 0.000 0.499 146 I N 1.157 121.594 120.570 -0.222 0.000 2.339 146 I HA 0.609 4.779 4.170 -0.000 0.000 0.290 146 I C 0.515 176.649 176.117 0.029 0.000 0.994 146 I CA -0.649 60.611 61.300 -0.067 0.000 1.191 146 I CB 1.734 39.684 38.000 -0.085 0.000 1.343 146 I HN 0.664 nan 8.210 nan 0.000 0.458 147 A N 6.170 129.036 122.820 0.077 0.000 2.356 147 A HA 0.893 5.213 4.320 -0.000 0.000 0.323 147 A C -0.974 176.571 177.584 -0.064 0.000 1.119 147 A CA -0.556 51.509 52.037 0.048 0.000 0.790 147 A CB 1.826 20.829 19.000 0.004 0.000 1.273 147 A HN 0.427 nan 8.150 nan 0.000 0.452 148 V N 1.706 121.554 119.914 -0.110 0.000 2.577 148 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 148 V C -0.683 175.174 176.094 -0.395 0.000 1.042 148 V CA -0.492 61.652 62.300 -0.261 0.000 0.872 148 V CB 1.766 33.435 31.823 -0.257 0.000 0.998 148 V HN 0.683 nan 8.190 nan 0.000 0.423 149 V N 5.596 125.264 119.914 -0.409 0.000 2.370 149 V HA 0.522 4.642 4.120 -0.000 0.000 0.279 149 V C -0.586 175.421 176.094 -0.146 0.000 1.029 149 V CA -0.382 61.800 62.300 -0.196 0.000 0.870 149 V CB 1.195 33.012 31.823 -0.010 0.000 0.984 149 V HN 0.653 nan 8.190 nan 0.000 0.451 150 F N 4.450 124.548 119.950 0.246 0.000 2.436 150 F HA 0.604 5.131 4.527 -0.000 0.000 0.340 150 F C 0.490 176.389 175.800 0.166 0.000 1.113 150 F CA -0.683 57.442 58.000 0.208 0.000 1.022 150 F CB 1.628 40.694 39.000 0.110 0.000 1.128 150 F HN 0.447 nan 8.300 nan 0.000 0.466 151 K N 1.429 121.980 120.400 0.252 0.000 2.258 151 K HA 0.458 4.778 4.320 -0.000 0.000 0.236 151 K C -0.572 175.990 176.600 -0.064 0.000 1.008 151 K CA -0.965 55.282 56.287 -0.067 0.000 0.869 151 K CB 1.814 34.148 32.500 -0.277 0.000 1.171 151 K HN 0.634 nan 8.250 nan 0.000 0.447 152 E N 1.018 121.110 120.200 -0.180 0.000 2.418 152 E HA -0.083 4.267 4.350 -0.000 0.000 0.261 152 E C -0.814 175.740 176.600 -0.077 0.000 1.070 152 E CA -0.245 56.078 56.400 -0.128 0.000 0.931 152 E CB 0.617 30.215 29.700 -0.171 0.000 0.954 152 E HN 0.530 nan 8.360 nan 0.000 0.439 153 N N 3.334 122.010 118.700 -0.040 0.000 2.426 153 N HA 0.123 4.863 4.740 -0.000 0.000 0.275 153 N C 0.295 175.805 175.510 -0.001 0.000 1.019 153 N CA -0.163 52.891 53.050 0.006 0.000 0.941 153 N CB 0.728 39.248 38.487 0.054 0.000 1.123 153 N HN 0.584 nan 8.380 nan 0.000 0.486 154 I N 0.284 120.857 120.570 0.005 0.000 4.323 154 I HA 0.539 4.709 4.170 -0.000 0.000 0.328 154 I C 0.343 176.477 176.117 0.028 0.000 1.310 154 I CA -0.508 60.792 61.300 0.001 0.000 1.186 154 I CB 0.296 38.281 38.000 -0.026 0.000 1.130 154 I HN 0.353 nan 8.210 nan 0.000 0.411 155 A N 3.864 126.713 122.820 0.048 0.000 2.491 155 A HA 0.508 4.828 4.320 -0.000 0.000 0.261 155 A C -2.350 175.301 177.584 0.111 0.000 1.101 155 A CA -0.890 51.184 52.037 0.061 0.000 0.772 155 A CB -0.862 18.175 19.000 0.061 0.000 1.043 155 A HN 0.195 nan 8.150 nan 0.000 0.501 156 P HA 0.090 nan 4.420 nan 0.000 0.271 156 P C -0.442 176.994 177.300 0.227 0.000 1.218 156 P CA -0.079 63.120 63.100 0.165 0.000 0.780 156 P CB 0.223 31.965 31.700 0.069 0.000 0.901 157 Y N 1.729 122.192 120.300 0.272 0.000 2.717 157 Y HA 0.284 4.834 4.550 -0.000 0.000 0.330 157 Y C 0.399 176.371 175.900 0.119 0.000 1.217 157 Y CA 0.444 58.673 58.100 0.215 0.000 1.506 157 Y CB -0.465 38.156 38.460 0.268 0.000 1.268 157 Y HN 0.361 nan 8.280 nan 0.000 0.561 158 K N 7.816 127.904 120.400 -0.521 0.000 2.463 158 K HA 0.657 4.977 4.320 -0.000 0.000 0.255 158 K C -1.784 174.468 176.600 -0.580 0.000 0.942 158 K CA -0.234 55.751 56.287 -0.504 0.000 0.814 158 K CB 0.429 32.763 32.500 -0.276 0.000 1.122 158 K HN 0.719 nan 8.250 nan 0.000 0.425 159 F N -0.687 118.904 119.950 -0.598 0.000 2.603 159 F HA 0.681 5.208 4.527 -0.000 0.000 0.317 159 F C -0.182 175.458 175.800 -0.267 0.000 1.066 159 F CA -1.366 56.372 58.000 -0.437 0.000 0.941 159 F CB 1.858 40.581 39.000 -0.462 0.000 1.291 159 F HN 0.266 nan 8.300 nan 0.000 0.472 160 K N 2.111 122.516 120.400 0.007 0.000 2.183 160 K HA 0.789 5.109 4.320 -0.000 0.000 0.274 160 K C -0.504 176.174 176.600 0.130 0.000 1.009 160 K CA -0.656 55.620 56.287 -0.017 0.000 0.888 160 K CB 1.813 34.319 32.500 0.009 0.000 1.078 160 K HN 0.912 nan 8.250 nan 0.000 0.459 161 A N 2.016 124.881 122.820 0.075 0.000 2.726 161 A HA 0.824 5.144 4.320 -0.000 0.000 0.248 161 A C -0.824 176.836 177.584 0.126 0.000 1.249 161 A CA -0.559 51.596 52.037 0.195 0.000 0.846 161 A CB 1.577 20.720 19.000 0.238 0.000 1.391 161 A HN 0.546 nan 8.150 nan 0.000 0.497 162 T N 0.784 115.415 114.554 0.128 0.000 3.193 162 T HA 0.491 4.841 4.350 -0.000 0.000 0.332 162 T C -0.808 173.701 174.700 -0.318 0.000 1.208 162 T CA -0.315 61.740 62.100 -0.075 0.000 1.080 162 T CB 1.054 69.899 68.868 -0.040 0.000 1.180 162 T HN 0.556 nan 8.240 nan 0.000 0.469 163 M N 2.755 122.135 119.600 -0.366 0.000 2.318 163 M HA 0.557 5.037 4.480 -0.000 0.000 0.347 163 M C -1.397 174.654 176.300 -0.414 0.000 1.175 163 M CA -0.646 54.511 55.300 -0.239 0.000 1.075 163 M CB 1.105 33.664 32.600 -0.068 0.000 1.614 163 M HN 0.621 nan 8.290 nan 0.000 0.456 164 Y N 2.741 123.278 120.300 0.394 0.000 2.333 164 Y HA 0.560 5.110 4.550 -0.000 0.000 0.324 164 Y C -0.903 175.232 175.900 0.392 0.000 1.033 164 Y CA -1.037 57.244 58.100 0.302 0.000 1.224 164 Y CB 0.764 39.358 38.460 0.224 0.000 1.120 164 Y HN 0.653 nan 8.280 nan 0.000 0.457 165 Y N -0.632 119.796 120.300 0.214 0.000 2.677 165 Y HA 0.780 5.330 4.550 -0.000 0.000 0.334 165 Y C -1.965 173.986 175.900 0.086 0.000 1.196 165 Y CA -1.916 56.273 58.100 0.147 0.000 1.059 165 Y CB 1.473 40.023 38.460 0.149 0.000 1.315 165 Y HN 0.306 nan 8.280 nan 0.000 0.455 166 K N 1.007 121.448 120.400 0.068 0.000 2.318 166 K HA 0.371 4.691 4.320 -0.000 0.000 0.249 166 K C -1.783 174.851 176.600 0.057 0.000 0.942 166 K CA -1.020 55.250 56.287 -0.029 0.000 0.808 166 K CB 1.921 34.425 32.500 0.007 0.000 1.189 166 K HN 0.583 nan 8.250 nan 0.000 0.428 167 D N 2.143 122.559 120.400 0.028 0.000 2.428 167 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 167 D C -0.715 175.621 176.300 0.061 0.000 1.123 167 D CA -0.175 53.862 54.000 0.063 0.000 0.869 167 D CB 1.498 42.333 40.800 0.058 0.000 1.032 167 D HN 0.085 nan 8.370 nan 0.000 0.506 168 V N 2.758 122.711 119.914 0.065 0.000 2.498 168 V HA 0.261 4.381 4.120 -0.000 0.000 0.279 168 V C 0.541 176.695 176.094 0.100 0.000 1.048 168 V CA 0.164 62.536 62.300 0.120 0.000 0.967 168 V CB 1.692 33.629 31.823 0.189 0.000 0.988 168 V HN 0.484 nan 8.190 nan 0.000 0.473 169 T N 4.134 118.783 114.554 0.158 0.000 3.078 169 T HA 0.203 4.553 4.350 -0.000 0.000 0.328 169 T C -0.686 174.157 174.700 0.238 0.000 0.987 169 T CA -0.234 61.957 62.100 0.152 0.000 1.049 169 T CB 1.283 70.223 68.868 0.120 0.000 1.011 169 T HN 0.494 nan 8.240 nan 0.000 0.463 170 V N 5.100 125.177 119.914 0.272 0.000 2.334 170 V HA 0.614 4.734 4.120 -0.000 0.000 0.267 170 V C 0.389 176.634 176.094 0.252 0.000 1.040 170 V CA -0.291 62.167 62.300 0.263 0.000 0.866 170 V CB 0.182 32.063 31.823 0.096 0.000 1.019 170 V HN 0.927 nan 8.190 nan 0.000 0.468 171 S N 5.418 121.295 115.700 0.294 0.000 2.632 171 S HA 0.587 5.057 4.470 -0.000 0.000 0.271 171 S C -0.405 174.367 174.600 0.287 0.000 1.260 171 S CA -0.580 57.802 58.200 0.304 0.000 1.010 171 S CB 1.621 65.049 63.200 0.379 0.000 0.965 171 S HN 0.952 nan 8.310 nan 0.000 0.534 172 Q N 0.974 120.933 119.800 0.266 0.000 2.285 172 Q HA 0.616 4.956 4.340 -0.000 0.000 0.269 172 Q C -1.928 174.108 176.000 0.060 0.000 1.030 172 Q CA -0.728 55.177 55.803 0.169 0.000 0.788 172 Q CB 1.756 30.584 28.738 0.149 0.000 1.266 172 Q HN 0.719 nan 8.270 nan 0.000 0.438 173 V N 2.547 122.391 119.914 -0.116 0.000 3.001 173 V HA 0.626 4.746 4.120 -0.000 0.000 0.314 173 V C -1.155 174.689 176.094 -0.417 0.000 1.099 173 V CA -0.978 61.075 62.300 -0.411 0.000 0.989 173 V CB 1.901 33.273 31.823 -0.753 0.000 1.040 173 V HN 0.863 nan 8.190 nan 0.000 0.434 174 W N 2.258 123.147 121.300 -0.685 0.000 2.761 174 W HA 0.812 5.472 4.660 -0.000 0.000 0.340 174 W C -1.511 174.535 176.519 -0.789 0.000 1.072 174 W CA -0.884 56.123 57.345 -0.564 0.000 1.215 174 W CB 1.767 31.053 29.460 -0.290 0.000 1.420 174 W HN 0.417 nan 8.180 nan 0.000 0.519 175 F N 3.301 122.715 119.950 -0.893 0.000 2.492 175 F HA 0.823 5.350 4.527 -0.000 0.000 0.327 175 F C 0.881 176.081 175.800 -1.000 0.000 1.079 175 F CA -0.473 57.087 58.000 -0.734 0.000 0.967 175 F CB 1.836 40.533 39.000 -0.505 0.000 1.169 175 F HN 0.427 nan 8.300 nan 0.000 0.472 176 G N -1.301 107.419 108.800 -0.133 0.000 2.975 176 G HA2 0.446 4.406 3.960 -0.000 0.000 0.291 176 G HA3 0.446 4.406 3.960 -0.000 0.000 0.291 176 G C 0.276 175.325 174.900 0.249 0.000 1.334 176 G CA 0.154 45.398 45.100 0.240 0.000 0.843 176 G HN 0.851 nan 8.290 nan 0.000 0.548 177 H N -1.704 117.493 119.070 0.212 0.000 2.254 177 H HA 0.205 4.761 4.556 -0.000 0.000 0.294 177 H C 2.276 177.671 175.328 0.111 0.000 1.071 177 H CA 3.622 59.729 56.048 0.098 0.000 1.228 177 H CB -0.406 29.377 29.762 0.035 0.000 1.358 177 H HN 1.089 nan 8.280 nan 0.000 0.495 178 R N -0.496 120.083 120.500 0.131 0.000 2.629 178 R HA 0.511 4.851 4.340 -0.000 0.000 0.408 178 R C 0.079 176.525 176.300 0.243 0.000 1.057 178 R CA 0.526 56.701 56.100 0.126 0.000 1.119 178 R CB -0.812 29.518 30.300 0.049 0.000 1.403 178 R HN 1.239 nan 8.270 nan 0.000 0.576 179 Y N -3.809 116.525 120.300 0.056 0.000 2.829 179 Y HA 0.858 5.408 4.550 -0.000 0.000 0.322 179 Y C -1.028 174.906 175.900 0.057 0.000 1.357 179 Y CA -2.727 55.410 58.100 0.061 0.000 1.081 179 Y CB 0.616 39.121 38.460 0.075 0.000 1.339 179 Y HN -0.099 nan 8.280 nan 0.000 0.469 180 S N 0.857 116.398 115.700 -0.266 0.000 2.563 180 S HA 0.469 4.939 4.470 -0.000 0.000 0.279 180 S C -1.816 172.507 174.600 -0.462 0.000 1.155 180 S CA -0.868 57.046 58.200 -0.477 0.000 0.928 180 S CB 2.126 65.149 63.200 -0.294 0.000 1.107 180 S HN 0.819 nan 8.310 nan 0.000 0.462 181 Q N 1.709 121.209 119.800 -0.500 0.000 2.359 181 Q HA 0.618 4.958 4.340 -0.000 0.000 0.274 181 Q C -1.683 174.145 176.000 -0.287 0.000 1.074 181 Q CA -0.767 54.868 55.803 -0.279 0.000 0.810 181 Q CB 1.158 29.808 28.738 -0.147 0.000 1.342 181 Q HN 0.567 nan 8.270 nan 0.000 0.427 182 F N 3.225 123.123 119.950 -0.086 0.000 2.504 182 F HA 0.153 4.680 4.527 -0.000 0.000 0.369 182 F C 1.234 177.012 175.800 -0.036 0.000 1.082 182 F CA 0.236 58.202 58.000 -0.056 0.000 1.216 182 F CB 0.663 39.646 39.000 -0.028 0.000 1.108 182 F HN 0.639 nan 8.300 nan 0.000 0.554 183 M N 1.967 121.644 119.600 0.128 0.000 2.486 183 M HA 0.257 4.737 4.480 -0.000 0.000 0.264 183 M C 0.673 177.030 176.300 0.096 0.000 1.125 183 M CA 0.455 55.801 55.300 0.075 0.000 1.144 183 M CB 0.380 33.009 32.600 0.048 0.000 1.353 183 M HN 0.687 nan 8.290 nan 0.000 0.466 184 G N 0.853 109.742 108.800 0.148 0.000 2.174 184 G HA2 0.398 4.358 3.960 -0.000 0.000 0.312 184 G HA3 0.398 4.358 3.960 -0.000 0.000 0.312 184 G C -1.384 173.610 174.900 0.157 0.000 1.663 184 G CA -0.839 44.335 45.100 0.124 0.000 0.920 184 G HN 0.061 nan 8.290 nan 0.000 0.664 185 I N 1.419 122.059 120.570 0.117 0.000 2.488 185 I HA 0.596 4.766 4.170 -0.000 0.000 0.299 185 I C -0.738 175.478 176.117 0.166 0.000 0.984 185 I CA -0.933 60.438 61.300 0.118 0.000 1.250 185 I CB 1.961 39.954 38.000 -0.012 0.000 1.389 185 I HN 0.454 nan 8.210 nan 0.000 0.488 186 F N 5.065 125.028 119.950 0.022 0.000 2.500 186 F HA 0.434 4.961 4.527 -0.000 0.000 0.349 186 F C -0.514 175.305 175.800 0.032 0.000 1.127 186 F CA -0.314 57.694 58.000 0.014 0.000 0.998 186 F CB 0.853 39.850 39.000 -0.004 0.000 1.237 186 F HN 0.421 nan 8.300 nan 0.000 0.439 187 E N 3.738 123.634 120.200 -0.507 0.000 2.202 187 E HA 0.458 4.808 4.350 -0.000 0.000 0.272 187 E C -1.467 174.787 176.600 -0.577 0.000 0.951 187 E CA -0.825 55.340 56.400 -0.391 0.000 0.813 187 E CB 1.886 31.471 29.700 -0.192 0.000 1.151 187 E HN 0.562 nan 8.360 nan 0.000 0.398 188 D N 0.579 120.790 120.400 -0.315 0.000 2.623 188 D HA 0.271 4.911 4.640 -0.000 0.000 0.241 188 D C -1.535 174.718 176.300 -0.079 0.000 1.241 188 D CA -0.700 53.172 54.000 -0.213 0.000 0.788 188 D CB 1.311 42.021 40.800 -0.150 0.000 1.413 188 D HN 0.187 nan 8.370 nan 0.000 0.429 189 R N 0.989 121.451 120.500 -0.063 0.000 2.343 189 R HA 0.822 5.162 4.340 -0.000 0.000 0.320 189 R C -0.967 175.254 176.300 -0.131 0.000 0.956 189 R CA -0.643 55.454 56.100 -0.004 0.000 0.836 189 R CB 1.692 32.002 30.300 0.017 0.000 1.151 189 R HN 0.389 nan 8.270 nan 0.000 0.450 190 A N 5.691 128.402 122.820 -0.182 0.000 2.304 190 A HA 0.595 4.915 4.320 -0.000 0.000 0.323 190 A C -2.455 175.085 177.584 -0.073 0.000 1.195 190 A CA -2.022 49.718 52.037 -0.496 0.000 0.826 190 A CB 0.918 19.462 19.000 -0.759 0.000 1.184 190 A HN 0.430 nan 8.150 nan 0.000 0.496 191 P HA 0.217 nan 4.420 nan 0.000 0.271 191 P C -0.522 176.875 177.300 0.162 0.000 1.216 191 P CA -0.095 63.095 63.100 0.150 0.000 0.771 191 P CB 0.844 32.615 31.700 0.117 0.000 0.864 192 V N 6.414 126.463 119.914 0.226 0.000 2.387 192 V HA 0.151 4.271 4.120 -0.000 0.000 0.260 192 V C -1.896 174.295 176.094 0.161 0.000 1.054 192 V CA -1.661 60.746 62.300 0.177 0.000 0.967 192 V CB 0.157 32.093 31.823 0.188 0.000 1.036 192 V HN 0.541 nan 8.190 nan 0.000 0.481 193 P HA -0.088 nan 4.420 nan 0.000 0.264 193 P C 0.791 178.179 177.300 0.147 0.000 1.179 193 P CA 0.184 63.379 63.100 0.159 0.000 0.763 193 P CB 0.348 32.130 31.700 0.137 0.000 0.806 194 F N 4.202 124.185 119.950 0.054 0.000 2.048 194 F HA -0.328 4.199 4.527 -0.000 0.000 0.296 194 F C 1.806 177.614 175.800 0.014 0.000 1.109 194 F CA 2.063 60.080 58.000 0.029 0.000 1.214 194 F CB -0.582 38.433 39.000 0.025 0.000 0.963 194 F HN 0.397 nan 8.300 nan 0.000 0.491 195 E N -0.189 119.878 120.200 -0.222 0.000 2.051 195 E HA -0.281 4.069 4.350 -0.000 0.000 0.192 195 E C 2.222 178.682 176.600 -0.234 0.000 0.991 195 E CA 1.375 57.562 56.400 -0.355 0.000 0.799 195 E CB -0.461 29.233 29.700 -0.010 0.000 0.748 195 E HN 0.679 nan 8.360 nan 0.000 0.449 196 E N 0.779 120.923 120.200 -0.094 0.000 2.118 196 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 196 E C 2.029 178.569 176.600 -0.101 0.000 0.992 196 E CA 1.111 57.477 56.400 -0.058 0.000 0.804 196 E CB 0.173 29.878 29.700 0.008 0.000 0.741 196 E HN 0.036 nan 8.360 nan 0.000 0.458 197 V N 1.261 121.085 119.914 -0.151 0.000 2.216 197 V HA -0.293 3.827 4.120 -0.000 0.000 0.243 197 V C 2.415 178.377 176.094 -0.220 0.000 1.044 197 V CA 1.943 64.123 62.300 -0.201 0.000 0.995 197 V CB -0.524 31.132 31.823 -0.278 0.000 0.633 197 V HN 0.325 nan 8.190 nan 0.000 0.446 198 I N 0.402 120.797 120.570 -0.291 0.000 2.044 198 I HA -0.318 3.852 4.170 -0.000 0.000 0.234 198 I C 2.386 178.402 176.117 -0.168 0.000 1.031 198 I CA 2.157 63.322 61.300 -0.226 0.000 1.305 198 I CB -0.776 37.029 38.000 -0.324 0.000 1.026 198 I HN 0.400 nan 8.210 nan 0.000 0.392 199 D N 1.408 121.707 120.400 -0.169 0.000 2.119 199 D HA -0.206 4.434 4.640 -0.000 0.000 0.199 199 D C 2.313 178.560 176.300 -0.090 0.000 0.987 199 D CA 2.153 56.085 54.000 -0.114 0.000 0.858 199 D CB -0.848 39.895 40.800 -0.096 0.000 1.008 199 D HN 0.319 nan 8.370 nan 0.000 0.450 200 K N 0.850 121.205 120.400 -0.075 0.000 2.127 200 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 200 K C 2.256 178.824 176.600 -0.054 0.000 1.047 200 K CA 1.888 58.145 56.287 -0.050 0.000 0.927 200 K CB -1.052 31.430 32.500 -0.031 0.000 0.716 200 K HN 0.384 nan 8.250 nan 0.000 0.450 201 I N -1.178 119.349 120.570 -0.071 0.000 2.947 201 I HA 0.067 4.237 4.170 -0.000 0.000 0.263 201 I C 2.168 178.240 176.117 -0.076 0.000 1.130 201 I CA 0.852 62.114 61.300 -0.065 0.000 1.448 201 I CB 0.109 38.075 38.000 -0.058 0.000 1.222 201 I HN 0.321 nan 8.210 nan 0.000 0.453 202 N N 0.952 119.601 118.700 -0.086 0.000 2.398 202 N HA 0.080 4.820 4.740 -0.000 0.000 0.188 202 N C 1.303 176.753 175.510 -0.101 0.000 1.122 202 N CA 0.813 53.816 53.050 -0.079 0.000 0.866 202 N CB 0.348 38.799 38.487 -0.059 0.000 0.970 202 N HN 0.320 nan 8.380 nan 0.000 0.462 203 A N -0.596 122.168 122.820 -0.095 0.000 1.984 203 A HA 0.341 4.661 4.320 -0.000 0.000 0.203 203 A C 1.884 179.425 177.584 -0.072 0.000 1.292 203 A CA 1.037 53.020 52.037 -0.089 0.000 0.782 203 A CB -0.206 18.742 19.000 -0.086 0.000 0.924 203 A HN 0.266 nan 8.150 nan 0.000 0.475 204 K N -1.258 119.103 120.400 -0.064 0.000 2.477 204 K HA 0.474 4.794 4.320 -0.000 0.000 0.208 204 K C 1.046 177.613 176.600 -0.055 0.000 1.117 204 K CA 0.970 57.226 56.287 -0.053 0.000 1.039 204 K CB -0.500 31.976 32.500 -0.041 0.000 0.937 204 K HN 1.984 nan 8.250 nan 0.000 0.570 205 G N 0.777 109.537 108.800 -0.067 0.000 2.351 205 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.297 205 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.297 205 G C -0.152 174.717 174.900 -0.052 0.000 1.054 205 G CA 0.304 45.357 45.100 -0.078 0.000 1.123 205 G HN 0.973 nan 8.290 nan 0.000 0.512 206 V N -0.240 119.653 119.914 -0.036 0.000 3.049 206 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 206 V C 0.140 176.232 176.094 -0.004 0.000 1.148 206 V CA -0.522 61.769 62.300 -0.016 0.000 0.990 206 V CB 2.292 34.107 31.823 -0.012 0.000 1.039 206 V HN 1.068 nan 8.190 nan 0.000 0.430 207 c N 3.960 122.565 118.600 0.009 0.000 2.498 207 c HA 0.662 5.232 4.570 -0.000 0.000 0.316 207 c C 0.165 174.275 174.090 0.032 0.000 1.209 207 c CA -0.778 55.564 56.329 0.021 0.000 1.518 207 c CB 1.308 43.833 42.510 0.025 0.000 2.147 207 c HN 0.993 nan 8.230 nan 0.000 0.483 208 R N 2.872 123.398 120.500 0.044 0.000 2.590 208 R HA 0.140 4.480 4.340 -0.000 0.000 0.274 208 R C 1.362 177.709 176.300 0.078 0.000 1.061 208 R CA 0.351 56.490 56.100 0.065 0.000 1.081 208 R CB 0.755 31.096 30.300 0.070 0.000 0.984 208 R HN 0.874 nan 8.270 nan 0.000 0.448 209 S N 1.058 116.826 115.700 0.112 0.000 2.595 209 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 209 S C 0.522 175.220 174.600 0.163 0.000 0.974 209 S CA 0.756 59.047 58.200 0.151 0.000 0.942 209 S CB -0.177 63.148 63.200 0.208 0.000 0.766 209 S HN 0.707 nan 8.310 nan 0.000 0.536 210 T N -0.340 114.282 114.554 0.113 0.000 2.792 210 T HA 0.754 5.104 4.350 -0.000 0.000 0.280 210 T C -0.609 174.109 174.700 0.030 0.000 0.990 210 T CA -0.581 61.531 62.100 0.019 0.000 0.960 210 T CB 1.634 70.486 68.868 -0.027 0.000 0.939 210 T HN 0.206 nan 8.240 nan 0.000 0.439 211 A N 3.799 126.645 122.820 0.043 0.000 2.540 211 A HA 0.562 4.882 4.320 -0.000 0.000 0.340 211 A C 0.226 177.980 177.584 0.283 0.000 1.424 211 A CA -0.832 51.305 52.037 0.167 0.000 0.940 211 A CB 0.146 19.260 19.000 0.190 0.000 1.149 211 A HN 0.882 nan 8.150 nan 0.000 0.505 212 K N 2.551 123.076 120.400 0.209 0.000 2.183 212 K HA 0.633 4.953 4.320 -0.000 0.000 0.274 212 K C -1.482 175.302 176.600 0.307 0.000 1.009 212 K CA -0.451 55.920 56.287 0.140 0.000 0.888 212 K CB 0.746 33.269 32.500 0.038 0.000 1.078 212 K HN 0.767 nan 8.250 nan 0.000 0.459 213 Y N -1.183 119.135 120.300 0.030 0.000 2.522 213 Y HA 0.228 4.778 4.550 -0.000 0.000 0.326 213 Y C -1.404 174.522 175.900 0.043 0.000 1.198 213 Y CA -1.498 56.632 58.100 0.049 0.000 1.112 213 Y CB 0.359 38.860 38.460 0.068 0.000 1.342 213 Y HN 0.060 nan 8.280 nan 0.000 0.460 214 V N 3.983 123.955 119.914 0.096 0.000 2.421 214 V HA 0.332 4.452 4.120 -0.000 0.000 0.271 214 V C 0.048 176.196 176.094 0.090 0.000 1.031 214 V CA 0.348 62.666 62.300 0.029 0.000 1.032 214 V CB 0.095 31.947 31.823 0.049 0.000 1.009 214 V HN 0.682 nan 8.190 nan 0.000 0.477 215 R N 4.854 125.360 120.500 0.010 0.000 2.480 215 R HA 0.462 4.802 4.340 -0.000 0.000 0.306 215 R C 0.099 176.424 176.300 0.042 0.000 0.958 215 R CA -0.508 55.651 56.100 0.098 0.000 0.861 215 R CB 0.446 30.860 30.300 0.190 0.000 1.171 215 R HN 0.644 nan 8.270 nan 0.000 0.445 216 N N 3.182 121.915 118.700 0.055 0.000 2.758 216 N HA -0.266 4.474 4.740 -0.000 0.000 0.248 216 N C -0.942 174.572 175.510 0.006 0.000 1.076 216 N CA 1.366 54.433 53.050 0.028 0.000 0.696 216 N CB -1.657 36.845 38.487 0.026 0.000 0.979 216 N HN 1.008 nan 8.380 nan 0.000 0.550 217 N N -3.402 115.303 118.700 0.008 0.000 2.815 217 N HA -0.260 4.480 4.740 -0.000 0.000 0.247 217 N C -0.656 174.848 175.510 -0.011 0.000 1.030 217 N CA 1.124 54.173 53.050 -0.000 0.000 0.881 217 N CB -0.452 38.033 38.487 -0.004 0.000 1.134 217 N HN 0.420 nan 8.380 nan 0.000 0.582 218 L N 1.063 122.272 121.223 -0.022 0.000 2.334 218 L HA 0.397 4.737 4.340 -0.000 0.000 0.276 218 L C -0.037 176.789 176.870 -0.073 0.000 1.014 218 L CA -0.520 54.294 54.840 -0.044 0.000 0.815 218 L CB 1.629 43.655 42.059 -0.054 0.000 1.268 218 L HN 0.057 nan 8.230 nan 0.000 0.428 219 E N 2.801 122.955 120.200 -0.077 0.000 2.026 219 E HA 0.131 4.481 4.350 -0.000 0.000 0.253 219 E C -0.601 175.900 176.600 -0.166 0.000 1.056 219 E CA -0.196 56.141 56.400 -0.105 0.000 0.927 219 E CB 0.408 30.076 29.700 -0.053 0.000 1.172 219 E HN 0.752 nan 8.360 nan 0.000 0.445 220 T N 1.884 116.261 114.554 -0.296 0.000 2.788 220 T HA 0.286 4.636 4.350 -0.000 0.000 0.287 220 T C -0.337 174.151 174.700 -0.354 0.000 1.007 220 T CA 0.112 62.016 62.100 -0.327 0.000 1.005 220 T CB 1.019 69.649 68.868 -0.398 0.000 1.012 220 T HN 0.340 nan 8.240 nan 0.000 0.530 221 T N 1.824 116.231 114.554 -0.244 0.000 3.193 221 T HA 0.669 5.019 4.350 -0.000 0.000 0.332 221 T C -1.282 173.263 174.700 -0.258 0.000 1.208 221 T CA -0.647 61.306 62.100 -0.244 0.000 1.080 221 T CB 1.419 70.140 68.868 -0.246 0.000 1.180 221 T HN 0.883 nan 8.240 nan 0.000 0.469 222 A N 2.351 125.002 122.820 -0.281 0.000 2.435 222 A HA 0.947 5.267 4.320 -0.000 0.000 0.304 222 A C -1.605 175.752 177.584 -0.378 0.000 1.064 222 A CA -0.792 51.131 52.037 -0.189 0.000 0.727 222 A CB 1.069 20.122 19.000 0.089 0.000 1.284 222 A HN 0.675 nan 8.150 nan 0.000 0.415 223 F N 0.452 120.499 119.950 0.163 0.000 2.495 223 F HA 0.407 4.934 4.527 -0.000 0.000 0.327 223 F C 0.458 176.347 175.800 0.148 0.000 1.103 223 F CA -0.510 57.566 58.000 0.126 0.000 0.949 223 F CB 1.548 40.586 39.000 0.064 0.000 1.142 223 F HN 0.748 nan 8.300 nan 0.000 0.457 224 H N 3.643 122.831 119.070 0.197 0.000 3.046 224 H HA 0.199 4.755 4.556 -0.000 0.000 0.303 224 H C 0.702 175.994 175.328 -0.060 0.000 1.002 224 H CA 0.170 56.270 56.048 0.087 0.000 1.460 224 H CB 0.275 30.076 29.762 0.065 0.000 1.493 224 H HN 0.670 nan 8.280 nan 0.000 0.559 225 R N 3.100 123.253 120.500 -0.579 0.000 3.989 225 R HA -0.227 4.113 4.340 -0.000 0.000 0.377 225 R C -0.439 175.510 176.300 -0.584 0.000 1.158 225 R CA 0.961 56.261 56.100 -1.334 0.000 1.035 225 R CB -1.632 27.823 30.300 -1.408 0.000 1.557 225 R HN 1.021 nan 8.270 nan 0.000 0.551 226 D N -0.827 119.518 120.400 -0.091 0.000 2.945 226 D HA -0.168 4.472 4.640 -0.000 0.000 0.225 226 D C -0.043 176.197 176.300 -0.100 0.000 1.158 226 D CA 1.686 55.724 54.000 0.063 0.000 0.805 226 D CB -0.490 40.363 40.800 0.089 0.000 1.098 226 D HN 0.414 nan 8.370 nan 0.000 0.426 227 D N -0.622 119.709 120.400 -0.115 0.000 2.539 227 D HA 0.279 4.919 4.640 -0.000 0.000 0.280 227 D C 0.593 176.809 176.300 -0.140 0.000 1.208 227 D CA -0.256 53.675 54.000 -0.113 0.000 1.088 227 D CB 0.350 41.097 40.800 -0.089 0.000 1.149 227 D HN 0.038 nan 8.370 nan 0.000 0.596 228 H N 0.169 119.144 119.070 -0.158 0.000 2.679 228 H HA 0.064 4.620 4.556 -0.000 0.000 0.369 228 H C 0.154 175.489 175.328 0.013 0.000 1.178 228 H CA 0.164 56.136 56.048 -0.127 0.000 1.419 228 H CB 0.576 30.287 29.762 -0.085 0.000 1.458 228 H HN 0.190 nan 8.280 nan 0.000 0.605 229 E N 1.538 121.809 120.200 0.118 0.000 2.415 229 E HA -0.009 4.341 4.350 -0.000 0.000 0.260 229 E C -0.762 175.928 176.600 0.150 0.000 1.016 229 E CA 0.056 56.567 56.400 0.183 0.000 0.924 229 E CB 0.306 30.111 29.700 0.175 0.000 0.961 229 E HN 0.515 nan 8.360 nan 0.000 0.459 230 T N 4.446 119.081 114.554 0.135 0.000 2.855 230 T HA 0.184 4.534 4.350 -0.000 0.000 0.281 230 T C -0.940 173.809 174.700 0.081 0.000 1.007 230 T CA -0.828 61.331 62.100 0.099 0.000 1.009 230 T CB 1.080 70.004 68.868 0.094 0.000 0.983 230 T HN 0.356 nan 8.240 nan 0.000 0.455 231 D N 3.233 123.668 120.400 0.058 0.000 2.468 231 D HA 0.291 4.931 4.640 -0.000 0.000 0.218 231 D C -0.074 176.244 176.300 0.030 0.000 1.155 231 D CA 0.001 54.026 54.000 0.041 0.000 0.924 231 D CB 0.145 40.963 40.800 0.029 0.000 1.029 231 D HN 0.376 nan 8.370 nan 0.000 0.515 232 M N 1.297 120.915 119.600 0.030 0.000 2.277 232 M HA 0.233 4.713 4.480 -0.000 0.000 0.350 232 M C 0.692 176.994 176.300 0.003 0.000 1.180 232 M CA -0.788 54.522 55.300 0.018 0.000 1.103 232 M CB 1.351 33.962 32.600 0.018 0.000 1.577 232 M HN 0.156 nan 8.290 nan 0.000 0.459 233 E N 2.810 123.009 120.200 -0.003 0.000 2.343 233 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 233 E C -1.323 175.272 176.600 -0.008 0.000 1.047 233 E CA -0.620 55.775 56.400 -0.008 0.000 0.874 233 E CB 0.865 30.561 29.700 -0.006 0.000 1.033 233 E HN 0.595 nan 8.360 nan 0.000 0.409 234 L N 1.932 123.154 121.223 -0.003 0.000 2.319 234 L HA 0.403 4.743 4.340 -0.000 0.000 0.280 234 L C 0.560 177.486 176.870 0.093 0.000 1.099 234 L CA 0.051 54.913 54.840 0.037 0.000 0.828 234 L CB 0.648 42.723 42.059 0.027 0.000 1.150 234 L HN 0.750 nan 8.230 nan 0.000 0.442 235 K N 4.611 125.096 120.400 0.142 0.000 2.221 235 K HA 0.735 5.055 4.320 -0.000 0.000 0.243 235 K C -2.804 174.049 176.600 0.422 0.000 0.968 235 K CA -1.919 54.491 56.287 0.205 0.000 0.846 235 K CB 0.666 33.186 32.500 0.032 0.000 1.141 235 K HN 0.277 nan 8.250 nan 0.000 0.434 236 P HA 0.230 nan 4.420 nan 0.000 0.269 236 P C -0.260 177.069 177.300 0.049 0.000 1.209 236 P CA -0.019 63.144 63.100 0.105 0.000 0.776 236 P CB 0.968 32.723 31.700 0.091 0.000 0.876 237 A N 3.461 126.170 122.820 -0.185 0.000 2.307 237 A HA 0.149 4.469 4.320 -0.000 0.000 0.271 237 A C 0.414 177.934 177.584 -0.107 0.000 1.188 237 A CA 0.043 51.975 52.037 -0.174 0.000 0.810 237 A CB -0.329 18.483 19.000 -0.314 0.000 1.123 237 A HN 0.553 nan 8.150 nan 0.000 0.509 238 N N -0.333 118.291 118.700 -0.127 0.000 2.508 238 N HA 0.466 5.206 4.740 -0.000 0.000 0.285 238 N C 0.034 175.493 175.510 -0.086 0.000 1.144 238 N CA 0.441 53.449 53.050 -0.071 0.000 0.978 238 N CB 0.889 39.342 38.487 -0.057 0.000 1.180 238 N HN 0.832 nan 8.380 nan 0.000 0.484 239 A N 0.632 123.417 122.820 -0.057 0.000 2.592 239 A HA 0.361 4.681 4.320 -0.000 0.000 0.250 239 A C 0.114 177.657 177.584 -0.068 0.000 1.017 239 A CA 0.508 52.511 52.037 -0.057 0.000 0.794 239 A CB -0.802 18.177 19.000 -0.036 0.000 0.917 239 A HN 0.780 nan 8.150 nan 0.000 0.515 240 A N 3.023 125.796 122.820 -0.078 0.000 2.566 240 A HA 0.747 5.067 4.320 -0.000 0.000 0.297 240 A C -0.087 177.453 177.584 -0.074 0.000 1.059 240 A CA 0.017 52.006 52.037 -0.080 0.000 0.691 240 A CB 0.918 19.857 19.000 -0.102 0.000 1.282 240 A HN 1.599 nan 8.150 nan 0.000 0.401 241 T N -0.411 114.105 114.554 -0.063 0.000 2.907 241 T HA 0.657 5.007 4.350 -0.000 0.000 0.284 241 T C 0.490 175.153 174.700 -0.062 0.000 1.004 241 T CA -0.571 61.495 62.100 -0.057 0.000 1.063 241 T CB 1.082 69.923 68.868 -0.045 0.000 0.992 241 T HN 0.925 nan 8.240 nan 0.000 0.483 242 R N -1.097 119.367 120.500 -0.060 0.000 3.875 242 R HA -0.151 4.189 4.340 -0.000 0.000 0.321 242 R C -0.131 176.123 176.300 -0.077 0.000 1.196 242 R CA 1.131 57.193 56.100 -0.063 0.000 0.868 242 R CB -2.732 27.533 30.300 -0.058 0.000 1.333 242 R HN 1.001 nan 8.270 nan 0.000 0.522 243 T N -2.248 112.254 114.554 -0.087 0.000 2.812 243 T HA 0.511 4.861 4.350 -0.000 0.000 0.282 243 T C 0.533 175.160 174.700 -0.122 0.000 0.990 243 T CA -0.261 61.775 62.100 -0.107 0.000 0.960 243 T CB 1.957 70.754 68.868 -0.118 0.000 0.948 243 T HN 0.209 nan 8.240 nan 0.000 0.438 244 S N 3.707 119.333 115.700 -0.124 0.000 2.580 244 S HA 0.246 4.716 4.470 -0.000 0.000 0.261 244 S C 0.393 174.866 174.600 -0.212 0.000 1.366 244 S CA -0.896 57.226 58.200 -0.131 0.000 0.996 244 S CB 0.019 63.156 63.200 -0.105 0.000 0.902 244 S HN 0.848 nan 8.310 nan 0.000 0.566 245 R N 0.362 120.699 120.500 -0.271 0.000 2.590 245 R HA 0.488 4.828 4.340 -0.000 0.000 0.274 245 R C 0.629 176.432 176.300 -0.829 0.000 1.061 245 R CA 0.249 55.998 56.100 -0.584 0.000 1.081 245 R CB 0.224 30.124 30.300 -0.666 0.000 0.984 245 R HN 0.798 nan 8.270 nan 0.000 0.448 246 G N 1.581 109.820 108.800 -0.934 0.000 2.537 246 G HA2 0.610 4.570 3.960 -0.000 0.000 0.308 246 G HA3 0.610 4.570 3.960 -0.000 0.000 0.308 246 G C -1.527 172.866 174.900 -0.844 0.000 1.237 246 G CA -0.573 44.115 45.100 -0.686 0.000 0.968 246 G HN 0.447 nan 8.290 nan 0.000 0.481 247 W N 0.447 121.758 121.300 0.018 0.000 3.274 247 W HA 0.401 5.061 4.660 -0.000 0.000 0.327 247 W C -0.523 176.071 176.519 0.125 0.000 1.172 247 W CA -0.698 56.701 57.345 0.090 0.000 1.217 247 W CB 1.834 31.329 29.460 0.058 0.000 1.376 247 W HN 0.958 nan 8.180 nan 0.000 0.507 248 H N -2.066 117.085 119.070 0.134 0.000 2.928 248 H HA 0.606 5.162 4.556 -0.000 0.000 0.371 248 H C -0.239 175.109 175.328 0.034 0.000 1.186 248 H CA -0.693 55.375 56.048 0.032 0.000 1.134 248 H CB 2.441 32.187 29.762 -0.027 0.000 1.824 248 H HN 0.062 nan 8.280 nan 0.000 0.554 249 T N 0.601 115.117 114.554 -0.064 0.000 2.898 249 T HA 0.040 4.390 4.350 -0.000 0.000 0.241 249 T C 0.522 175.099 174.700 -0.205 0.000 1.024 249 T CA 1.160 63.182 62.100 -0.131 0.000 1.174 249 T CB -0.121 68.702 68.868 -0.075 0.000 0.873 249 T HN 0.691 nan 8.240 nan 0.000 0.422 250 T N 2.107 116.556 114.554 -0.175 0.000 2.816 250 T HA 0.281 4.631 4.350 -0.000 0.000 0.282 250 T C -0.074 174.602 174.700 -0.040 0.000 0.993 250 T CA -0.240 61.757 62.100 -0.170 0.000 0.994 250 T CB 0.757 69.440 68.868 -0.309 0.000 1.025 250 T HN 0.245 nan 8.240 nan 0.000 0.529 251 D N -0.632 119.787 120.400 0.032 0.000 2.510 251 D HA 0.292 4.932 4.640 -0.000 0.000 0.234 251 D C -0.703 175.676 176.300 0.131 0.000 1.178 251 D CA -0.077 53.996 54.000 0.121 0.000 0.816 251 D CB 0.334 41.182 40.800 0.081 0.000 1.143 251 D HN 0.145 nan 8.370 nan 0.000 0.526 252 L N -0.150 121.158 121.223 0.141 0.000 2.409 252 L HA 0.486 4.826 4.340 -0.000 0.000 0.255 252 L C -0.606 176.391 176.870 0.211 0.000 1.027 252 L CA -1.077 53.861 54.840 0.163 0.000 0.834 252 L CB 1.131 43.293 42.059 0.171 0.000 1.426 252 L HN -0.377 nan 8.230 nan 0.000 0.411 253 K N 1.045 121.564 120.400 0.199 0.000 2.262 253 K HA 0.259 4.579 4.320 -0.000 0.000 0.282 253 K C -1.144 175.626 176.600 0.282 0.000 1.066 253 K CA -0.373 56.053 56.287 0.231 0.000 0.901 253 K CB 0.766 33.369 32.500 0.173 0.000 1.089 253 K HN 0.551 nan 8.250 nan 0.000 0.476 254 Y N 4.329 124.764 120.300 0.225 0.000 2.624 254 Y HA 0.049 4.599 4.550 -0.000 0.000 0.354 254 Y C -0.209 175.805 175.900 0.189 0.000 1.051 254 Y CA -0.051 58.159 58.100 0.183 0.000 1.377 254 Y CB 0.016 38.563 38.460 0.144 0.000 1.168 254 Y HN 0.443 nan 8.280 nan 0.000 0.525 255 N N 7.134 125.683 118.700 -0.251 0.000 2.482 255 N HA 0.440 5.180 4.740 -0.000 0.000 0.279 255 N C -2.829 172.378 175.510 -0.504 0.000 1.182 255 N CA -1.901 51.014 53.050 -0.224 0.000 0.969 255 N CB 1.153 39.615 38.487 -0.041 0.000 1.201 255 N HN 0.353 nan 8.380 nan 0.000 0.523 256 P HA 0.270 nan 4.420 nan 0.000 0.300 256 P C -0.240 177.086 177.300 0.043 0.000 1.326 256 P CA -0.439 62.587 63.100 -0.123 0.000 0.844 256 P CB 1.277 32.995 31.700 0.032 0.000 0.992 257 S N 1.975 117.646 115.700 -0.048 0.000 2.633 257 S HA 0.130 4.600 4.470 -0.000 0.000 0.257 257 S C 1.636 176.002 174.600 -0.391 0.000 1.265 257 S CA -0.127 58.006 58.200 -0.112 0.000 0.980 257 S CB 0.334 63.455 63.200 -0.131 0.000 1.017 257 S HN 0.252 nan 8.310 nan 0.000 0.577 258 R N 0.006 120.071 120.500 -0.725 0.000 2.133 258 R HA -0.048 4.292 4.340 -0.000 0.000 0.247 258 R C 0.699 176.646 176.300 -0.588 0.000 1.151 258 R CA 1.254 56.696 56.100 -1.097 0.000 0.971 258 R CB -0.964 28.930 30.300 -0.676 0.000 0.866 258 R HN 0.447 nan 8.270 nan 0.000 0.447 264 R N 0.992 121.538 120.500 0.076 0.000 2.189 264 R HA -0.037 4.303 4.340 -0.000 0.000 0.223 264 R C 0.916 177.272 176.300 0.095 0.000 1.092 264 R CA 1.394 57.564 56.100 0.117 0.000 0.989 264 R CB -1.213 29.172 30.300 0.143 0.000 0.876 264 R HN 0.477 nan 8.270 nan 0.000 0.457 265 Y N -1.604 118.708 120.300 0.020 0.000 2.357 265 Y HA 0.540 5.090 4.550 -0.000 0.000 0.340 265 Y C 0.634 176.617 175.900 0.138 0.000 1.260 265 Y CA -1.163 56.950 58.100 0.022 0.000 1.425 265 Y CB 0.931 39.357 38.460 -0.057 0.000 1.326 265 Y HN 0.062 nan 8.280 nan 0.000 0.580 266 G N 2.179 111.227 108.800 0.414 0.000 2.644 266 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 266 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 266 G C -1.265 173.986 174.900 0.584 0.000 1.395 266 G CA -0.829 44.515 45.100 0.406 0.000 0.964 266 G HN 0.728 nan 8.290 nan 0.000 0.511 267 T N 2.170 117.143 114.554 0.698 0.000 2.817 267 T HA 0.568 4.918 4.350 -0.000 0.000 0.293 267 T C 0.184 175.190 174.700 0.509 0.000 0.964 267 T CA 0.204 62.637 62.100 0.556 0.000 1.085 267 T CB 1.074 70.258 68.868 0.526 0.000 0.921 267 T HN 0.437 nan 8.240 nan 0.000 0.502 268 T N 2.404 117.217 114.554 0.431 0.000 2.863 268 T HA 0.577 4.927 4.350 -0.000 0.000 0.285 268 T C -0.689 174.203 174.700 0.320 0.000 1.009 268 T CA -0.615 61.760 62.100 0.458 0.000 0.989 268 T CB 1.554 70.655 68.868 0.389 0.000 1.004 268 T HN 0.312 nan 8.240 nan 0.000 0.455 269 V N 3.454 123.531 119.914 0.271 0.000 2.439 269 V HA 0.396 4.516 4.120 -0.000 0.000 0.277 269 V C -0.537 175.513 176.094 -0.073 0.000 1.008 269 V CA -0.943 61.420 62.300 0.104 0.000 0.846 269 V CB 1.163 33.074 31.823 0.145 0.000 1.031 269 V HN 0.824 nan 8.190 nan 0.000 0.441 270 N N 3.512 122.189 118.700 -0.039 0.000 2.426 270 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 270 N C -0.287 175.192 175.510 -0.051 0.000 1.002 270 N CA -0.167 52.844 53.050 -0.064 0.000 0.942 270 N CB 1.013 39.499 38.487 -0.002 0.000 1.112 270 N HN 0.600 nan 8.380 nan 0.000 0.499 271 c N 4.095 122.662 118.600 -0.054 0.000 2.601 271 c HA 0.507 5.077 4.570 -0.000 0.000 0.409 271 c C 0.609 174.649 174.090 -0.082 0.000 1.293 271 c CA -0.652 55.642 56.329 -0.058 0.000 2.101 271 c CB -1.084 41.417 42.510 -0.015 0.000 2.639 271 c HN 0.568 nan 8.230 nan 0.000 0.592 272 I N 2.473 122.900 120.570 -0.238 0.000 2.548 272 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 272 I C -0.928 175.007 176.117 -0.303 0.000 1.103 272 I CA -0.267 60.834 61.300 -0.332 0.000 1.049 272 I CB 1.631 39.223 38.000 -0.679 0.000 1.232 272 I HN 0.278 nan 8.210 nan 0.000 0.429 273 V N 5.982 125.905 119.914 0.016 0.000 2.407 273 V HA 0.404 4.524 4.120 -0.000 0.000 0.291 273 V C -0.254 175.981 176.094 0.234 0.000 1.018 273 V CA -0.477 61.905 62.300 0.138 0.000 0.842 273 V CB 1.817 33.816 31.823 0.293 0.000 0.996 273 V HN 0.672 nan 8.190 nan 0.000 0.426 274 E N 3.294 123.542 120.200 0.080 0.000 2.227 274 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 274 E C -0.951 175.671 176.600 0.037 0.000 0.907 274 E CA -0.782 55.647 56.400 0.048 0.000 0.786 274 E CB 2.748 32.450 29.700 0.003 0.000 1.191 274 E HN 0.646 nan 8.360 nan 0.000 0.411 275 E N 1.222 121.451 120.200 0.048 0.000 2.249 275 E HA 0.401 4.751 4.350 -0.000 0.000 0.280 275 E C -0.707 175.866 176.600 -0.044 0.000 1.016 275 E CA -0.673 55.752 56.400 0.042 0.000 0.830 275 E CB 1.735 31.496 29.700 0.102 0.000 1.081 275 E HN 0.240 nan 8.360 nan 0.000 0.395 276 V N -0.646 119.233 119.914 -0.059 0.000 2.932 276 V HA 0.359 4.479 4.120 -0.000 0.000 0.307 276 V C -0.888 175.116 176.094 -0.151 0.000 1.147 276 V CA -1.306 60.925 62.300 -0.114 0.000 0.951 276 V CB 1.920 33.657 31.823 -0.142 0.000 1.031 276 V HN 0.501 nan 8.190 nan 0.000 0.426 277 D N 2.020 122.308 120.400 -0.187 0.000 2.362 277 D HA 0.651 5.291 4.640 -0.000 0.000 0.242 277 D C 0.155 176.228 176.300 -0.378 0.000 1.132 277 D CA 0.788 54.629 54.000 -0.265 0.000 0.907 277 D CB 1.360 42.024 40.800 -0.226 0.000 1.195 277 D HN 1.213 nan 8.370 nan 0.000 0.429 278 A N 2.001 124.437 122.820 -0.641 0.000 2.359 278 A HA 0.602 4.922 4.320 -0.000 0.000 0.303 278 A C -0.678 176.385 177.584 -0.868 0.000 1.066 278 A CA -0.819 50.705 52.037 -0.856 0.000 0.730 278 A CB 1.015 19.096 19.000 -1.533 0.000 1.211 278 A HN 0.514 nan 8.150 nan 0.000 0.439 279 R N 1.183 121.421 120.500 -0.436 0.000 2.387 279 R HA 0.664 5.004 4.340 -0.000 0.000 0.314 279 R C -0.580 175.703 176.300 -0.028 0.000 0.958 279 R CA -0.276 55.681 56.100 -0.238 0.000 0.846 279 R CB 1.982 32.172 30.300 -0.183 0.000 1.147 279 R HN 0.585 nan 8.270 nan 0.000 0.447 280 S N 2.274 118.078 115.700 0.173 0.000 2.594 280 S HA 0.483 4.953 4.470 -0.000 0.000 0.296 280 S C -1.164 173.683 174.600 0.412 0.000 1.124 280 S CA -0.668 57.748 58.200 0.359 0.000 1.011 280 S CB 1.603 65.151 63.200 0.579 0.000 1.016 280 S HN 0.321 nan 8.310 nan 0.000 0.485 281 V N 5.221 125.184 119.914 0.083 0.000 3.019 281 V HA 0.605 4.725 4.120 -0.000 0.000 0.317 281 V C -0.842 174.734 176.094 -0.862 0.000 1.094 281 V CA -0.959 61.201 62.300 -0.233 0.000 1.000 281 V CB 1.733 33.507 31.823 -0.081 0.000 1.060 281 V HN 0.962 nan 8.190 nan 0.000 0.443 282 Y N 5.691 125.227 120.300 -1.273 0.000 2.993 282 Y HA 0.107 4.657 4.550 -0.000 0.000 0.340 282 Y C -1.502 174.150 175.900 -0.412 0.000 1.273 282 Y CA -0.278 57.233 58.100 -0.981 0.000 1.545 282 Y CB 0.824 39.048 38.460 -0.393 0.000 1.275 282 Y HN 0.538 nan 8.280 nan 0.000 0.617 283 P HA 0.043 nan 4.420 nan 0.000 0.249 283 P C -1.374 175.751 177.300 -0.292 0.000 1.241 283 P CA 0.553 62.991 63.100 -1.104 0.000 0.781 283 P CB -0.231 30.991 31.700 -0.796 0.000 1.088 284 Y N -0.842 119.420 120.300 -0.065 0.000 3.290 284 Y HA -0.183 4.367 4.550 -0.000 0.000 0.203 284 Y C 0.454 176.417 175.900 0.105 0.000 1.548 284 Y CA 0.259 58.414 58.100 0.092 0.000 1.405 284 Y CB -3.033 35.558 38.460 0.217 0.000 1.500 284 Y HN 0.181 nan 8.280 nan 0.000 0.521 285 D N -0.271 120.213 120.400 0.140 0.000 2.369 285 D HA 0.135 4.775 4.640 -0.000 0.000 0.211 285 D C 0.535 176.930 176.300 0.159 0.000 1.077 285 D CA 0.907 54.996 54.000 0.150 0.000 0.842 285 D CB 0.381 41.237 40.800 0.094 0.000 0.947 285 D HN 0.703 nan 8.370 nan 0.000 0.509 286 E N -0.598 119.694 120.200 0.155 0.000 2.409 286 E HA 0.455 4.805 4.350 -0.000 0.000 0.280 286 E C -1.285 175.408 176.600 0.156 0.000 1.079 286 E CA -1.128 55.329 56.400 0.094 0.000 0.840 286 E CB 1.207 30.886 29.700 -0.036 0.000 1.309 286 E HN 0.061 nan 8.360 nan 0.000 0.447 287 F N -0.720 119.180 119.950 -0.084 0.000 2.754 287 F HA 0.822 5.349 4.527 -0.000 0.000 0.320 287 F C -1.365 174.247 175.800 -0.313 0.000 1.156 287 F CA -0.992 56.922 58.000 -0.143 0.000 0.950 287 F CB 1.228 40.208 39.000 -0.034 0.000 1.388 287 F HN 0.451 nan 8.300 nan 0.000 0.485 288 V N -0.191 119.583 119.914 -0.233 0.000 2.962 288 V HA 0.766 4.886 4.120 -0.000 0.000 0.313 288 V C -1.207 174.739 176.094 -0.248 0.000 1.099 288 V CA -1.117 60.900 62.300 -0.473 0.000 0.971 288 V CB 1.568 32.929 31.823 -0.769 0.000 1.028 288 V HN 0.988 nan 8.190 nan 0.000 0.430 289 L N 2.217 123.279 121.223 -0.269 0.000 2.334 289 L HA 0.711 5.051 4.340 -0.000 0.000 0.270 289 L C 1.924 178.645 176.870 -0.248 0.000 1.018 289 L CA -0.351 54.354 54.840 -0.226 0.000 0.811 289 L CB 1.630 43.566 42.059 -0.207 0.000 1.271 289 L HN 0.889 nan 8.230 nan 0.000 0.443 290 A N 0.356 123.042 122.820 -0.224 0.000 1.971 290 A HA -0.224 4.096 4.320 -0.000 0.000 0.222 290 A C 1.934 179.404 177.584 -0.190 0.000 1.182 290 A CA 2.516 54.434 52.037 -0.197 0.000 0.649 290 A CB -1.166 17.730 19.000 -0.172 0.000 0.818 290 A HN 0.907 nan 8.150 nan 0.000 0.458 291 T N -3.621 110.807 114.554 -0.211 0.000 3.227 291 T HA 0.354 4.704 4.350 -0.000 0.000 0.257 291 T C 1.390 175.978 174.700 -0.187 0.000 1.162 291 T CA 1.022 63.000 62.100 -0.203 0.000 1.051 291 T CB -0.534 68.176 68.868 -0.263 0.000 0.953 291 T HN 1.834 nan 8.240 nan 0.000 0.535 292 G N 0.988 109.668 108.800 -0.200 0.000 2.162 292 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 292 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 292 G C -0.335 174.465 174.900 -0.167 0.000 0.976 292 G CA 0.040 45.028 45.100 -0.186 0.000 0.655 292 G HN 0.605 nan 8.290 nan 0.000 0.533 293 D N -0.139 120.150 120.400 -0.184 0.000 2.264 293 D HA 0.501 5.141 4.640 -0.000 0.000 0.250 293 D C 0.417 176.640 176.300 -0.128 0.000 1.113 293 D CA -0.115 53.845 54.000 -0.067 0.000 0.871 293 D CB 0.676 41.427 40.800 -0.083 0.000 1.167 293 D HN 0.058 nan 8.370 nan 0.000 0.447 294 F N 0.850 120.749 119.950 -0.085 0.000 2.382 294 F HA 0.234 4.761 4.527 -0.000 0.000 0.331 294 F C 0.648 176.285 175.800 -0.273 0.000 1.121 294 F CA -0.230 57.601 58.000 -0.281 0.000 1.183 294 F CB 1.073 39.835 39.000 -0.396 0.000 1.207 294 F HN -0.034 nan 8.300 nan 0.000 0.555 295 V N 3.615 123.283 119.914 -0.410 0.000 2.445 295 V HA 0.112 4.232 4.120 -0.000 0.000 0.283 295 V C -1.069 174.816 176.094 -0.349 0.000 1.014 295 V CA -0.936 61.108 62.300 -0.428 0.000 0.852 295 V CB 0.836 31.977 31.823 -1.136 0.000 1.021 295 V HN 0.555 nan 8.190 nan 0.000 0.435 296 Y N 4.698 125.076 120.300 0.131 0.000 3.040 296 Y HA 0.496 5.046 4.550 -0.000 0.000 0.392 296 Y C 0.395 176.454 175.900 0.265 0.000 1.105 296 Y CA 0.072 58.243 58.100 0.118 0.000 1.950 296 Y CB 0.076 38.483 38.460 -0.088 0.000 2.014 296 Y HN 0.607 nan 8.280 nan 0.000 0.433 297 M N -0.019 119.712 119.600 0.219 0.000 2.446 297 M HA 0.409 4.889 4.480 -0.000 0.000 0.294 297 M C -0.522 175.897 176.300 0.198 0.000 1.158 297 M CA -0.747 54.649 55.300 0.160 0.000 0.899 297 M CB 1.761 34.367 32.600 0.010 0.000 1.687 297 M HN 0.002 nan 8.290 nan 0.000 0.455 298 S N 4.108 119.925 115.700 0.195 0.000 2.515 298 S HA 0.211 4.681 4.470 -0.000 0.000 0.285 298 S C -1.936 172.749 174.600 0.142 0.000 1.265 298 S CA -0.860 57.480 58.200 0.233 0.000 1.079 298 S CB 0.402 63.792 63.200 0.316 0.000 0.877 298 S HN 0.591 nan 8.310 nan 0.000 0.493 299 P HA 0.019 nan 4.420 nan 0.000 0.236 299 P C -0.091 176.885 177.300 -0.540 0.000 1.172 299 P CA 0.981 63.688 63.100 -0.655 0.000 0.759 299 P CB -0.076 30.842 31.700 -1.304 0.000 0.843 300 F N -4.665 115.309 119.950 0.040 0.000 2.706 300 F HA 0.227 4.754 4.527 -0.000 0.000 0.313 300 F C 0.953 176.876 175.800 0.205 0.000 1.096 300 F CA -0.831 57.119 58.000 -0.083 0.000 1.219 300 F CB -0.424 38.446 39.000 -0.216 0.000 1.051 300 F HN -0.214 nan 8.300 nan 0.000 0.568 301 Y N 1.953 122.405 120.300 0.254 0.000 2.610 301 Y HA 0.433 4.983 4.550 -0.000 0.000 0.332 301 Y C 0.556 176.560 175.900 0.173 0.000 1.201 301 Y CA 0.448 58.632 58.100 0.140 0.000 1.465 301 Y CB 0.213 38.608 38.460 -0.108 0.000 1.283 301 Y HN 0.127 nan 8.280 nan 0.000 0.563 302 G N 3.468 112.105 108.800 -0.272 0.000 2.441 302 G HA2 0.062 4.022 3.960 -0.000 0.000 0.294 302 G HA3 0.062 4.022 3.960 -0.000 0.000 0.294 302 G C -1.054 173.724 174.900 -0.202 0.000 1.393 302 G CA -0.750 44.222 45.100 -0.213 0.000 0.796 302 G HN 0.574 nan 8.290 nan 0.000 0.494 303 Y N 0.189 120.465 120.300 -0.040 0.000 2.457 303 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 303 Y C 1.842 177.587 175.900 -0.259 0.000 1.125 303 Y CA 0.090 58.080 58.100 -0.184 0.000 1.254 303 Y CB 0.136 38.450 38.460 -0.243 0.000 1.012 303 Y HN -0.030 nan 8.280 nan 0.000 0.555 304 R N 3.410 123.744 120.500 -0.278 0.000 2.473 304 R HA -0.068 4.272 4.340 -0.000 0.000 0.315 304 R C 0.822 177.084 176.300 -0.064 0.000 0.972 304 R CA 0.295 56.218 56.100 -0.295 0.000 1.047 304 R CB -0.698 29.144 30.300 -0.764 0.000 0.932 304 R HN 0.550 nan 8.270 nan 0.000 0.411 305 E N 2.014 122.197 120.200 -0.029 0.000 3.521 305 E HA -0.316 4.034 4.350 -0.000 0.000 0.371 305 E C 0.764 177.390 176.600 0.044 0.000 1.564 305 E CA 1.879 58.290 56.400 0.019 0.000 1.834 305 E CB -1.378 28.352 29.700 0.050 0.000 1.742 305 E HN 0.611 nan 8.360 nan 0.000 0.445 306 G N 0.480 109.320 108.800 0.067 0.000 3.124 306 G HA2 0.064 4.024 3.960 -0.000 0.000 0.212 306 G HA3 0.064 4.024 3.960 -0.000 0.000 0.212 306 G C 1.380 176.332 174.900 0.086 0.000 1.181 306 G CA 0.990 46.134 45.100 0.073 0.000 0.803 306 G HN 0.660 nan 8.290 nan 0.000 0.529 307 S N -0.852 114.918 115.700 0.116 0.000 2.507 307 S HA -0.087 4.383 4.470 -0.000 0.000 0.235 307 S C 1.747 176.241 174.600 -0.177 0.000 0.988 307 S CA 0.849 59.134 58.200 0.143 0.000 0.944 307 S CB -0.338 63.147 63.200 0.475 0.000 0.762 307 S HN 0.453 nan 8.310 nan 0.000 0.526 308 H N 0.847 119.731 119.070 -0.310 0.000 2.551 308 H HA 0.262 4.818 4.556 -0.000 0.000 0.266 308 H C 1.689 176.960 175.328 -0.094 0.000 0.964 308 H CA 1.343 57.069 56.048 -0.537 0.000 1.180 308 H CB -0.028 29.590 29.762 -0.241 0.000 1.408 308 H HN 0.438 nan 8.280 nan 0.000 0.563 309 T N 0.185 114.798 114.554 0.098 0.000 2.985 309 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 309 T C 0.517 175.381 174.700 0.275 0.000 1.076 309 T CA 0.175 62.384 62.100 0.182 0.000 1.135 309 T CB 0.079 69.024 68.868 0.128 0.000 0.890 309 T HN 0.296 nan 8.240 nan 0.000 0.480 310 E N 2.031 122.390 120.200 0.265 0.000 2.565 310 E HA -0.063 4.287 4.350 -0.000 0.000 0.268 310 E C -0.369 176.539 176.600 0.514 0.000 1.000 310 E CA 0.546 57.174 56.400 0.381 0.000 0.964 310 E CB 0.176 30.146 29.700 0.450 0.000 0.955 310 E HN 0.375 nan 8.360 nan 0.000 0.459 311 H N 0.723 119.903 119.070 0.184 0.000 2.800 311 H HA 0.160 4.716 4.556 -0.000 0.000 0.291 311 H C -0.146 175.179 175.328 -0.006 0.000 1.076 311 H CA 0.195 56.297 56.048 0.089 0.000 1.452 311 H CB 0.653 30.449 29.762 0.058 0.000 1.461 311 H HN 0.181 nan 8.280 nan 0.000 0.488 312 T N 1.714 116.164 114.554 -0.174 0.000 2.824 312 T HA 0.292 4.642 4.350 -0.000 0.000 0.282 312 T C 0.600 175.199 174.700 -0.170 0.000 0.993 312 T CA -0.608 61.347 62.100 -0.242 0.000 0.967 312 T CB 0.523 68.974 68.868 -0.694 0.000 0.960 312 T HN 0.569 nan 8.240 nan 0.000 0.441 313 S N 3.270 118.904 115.700 -0.110 0.000 2.556 313 S HA 0.251 4.721 4.470 -0.000 0.000 0.216 313 S C 0.117 174.547 174.600 -0.282 0.000 0.970 313 S CA -0.364 57.698 58.200 -0.230 0.000 0.912 313 S CB -0.394 62.628 63.200 -0.297 0.000 0.790 313 S HN 0.706 nan 8.310 nan 0.000 0.504 314 Y N 2.157 122.371 120.300 -0.143 0.000 2.334 314 Y HA 0.624 5.174 4.550 -0.000 0.000 0.325 314 Y C 0.963 176.822 175.900 -0.070 0.000 1.308 314 Y CA -0.915 57.127 58.100 -0.097 0.000 1.389 314 Y CB 0.243 38.657 38.460 -0.077 0.000 1.328 314 Y HN 0.171 nan 8.280 nan 0.000 0.532 315 A N 0.689 123.595 122.820 0.143 0.000 2.386 315 A HA 0.458 4.778 4.320 -0.000 0.000 0.248 315 A C 1.315 178.970 177.584 0.118 0.000 1.082 315 A CA 0.105 52.197 52.037 0.092 0.000 0.789 315 A CB -0.215 18.830 19.000 0.075 0.000 1.025 315 A HN 1.006 nan 8.150 nan 0.000 0.490 316 A N 1.010 123.891 122.820 0.102 0.000 1.940 316 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 316 A C 1.421 179.081 177.584 0.127 0.000 1.176 316 A CA 1.966 54.085 52.037 0.136 0.000 0.631 316 A CB -0.477 18.599 19.000 0.127 0.000 0.814 316 A HN 0.885 nan 8.150 nan 0.000 0.446 317 D N -1.507 118.943 120.400 0.082 0.000 2.328 317 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 317 D C 1.489 177.811 176.300 0.037 0.000 1.072 317 D CA 0.011 54.032 54.000 0.036 0.000 0.850 317 D CB -0.279 40.533 40.800 0.020 0.000 0.922 317 D HN 0.476 nan 8.370 nan 0.000 0.516 318 R N -0.648 119.906 120.500 0.090 0.000 2.210 318 R HA 0.127 4.467 4.340 -0.000 0.000 0.203 318 R C 0.030 176.404 176.300 0.123 0.000 1.010 318 R CA 0.060 56.220 56.100 0.099 0.000 1.008 318 R CB 0.238 30.616 30.300 0.131 0.000 0.923 318 R HN 0.113 nan 8.270 nan 0.000 0.469 319 F N 1.898 121.829 119.950 -0.033 0.000 2.427 319 F HA 0.376 4.903 4.527 -0.000 0.000 0.346 319 F C -0.933 174.847 175.800 -0.033 0.000 1.120 319 F CA -1.058 56.920 58.000 -0.037 0.000 1.033 319 F CB 0.991 39.961 39.000 -0.050 0.000 1.126 319 F HN -0.380 nan 8.300 nan 0.000 0.462 320 K N 6.393 126.361 120.400 -0.719 0.000 2.545 320 K HA 0.163 4.483 4.320 -0.000 0.000 0.252 320 K C -1.342 174.830 176.600 -0.714 0.000 0.948 320 K CA -0.706 55.133 56.287 -0.745 0.000 0.827 320 K CB 2.281 34.382 32.500 -0.665 0.000 1.128 320 K HN 0.772 nan 8.250 nan 0.000 0.429 321 Q N 3.075 122.443 119.800 -0.720 0.000 2.331 321 Q HA 0.236 4.576 4.340 -0.000 0.000 0.257 321 Q C -0.934 175.041 176.000 -0.041 0.000 0.957 321 Q CA -0.567 55.057 55.803 -0.297 0.000 0.923 321 Q CB 1.132 29.762 28.738 -0.179 0.000 1.212 321 Q HN 0.301 nan 8.270 nan 0.000 0.443 322 V N 5.426 125.340 119.914 -0.001 0.000 2.408 322 V HA 0.126 4.246 4.120 -0.000 0.000 0.267 322 V C 0.293 176.443 176.094 0.093 0.000 1.047 322 V CA -0.281 62.086 62.300 0.112 0.000 0.937 322 V CB 1.093 33.089 31.823 0.288 0.000 0.999 322 V HN 0.869 nan 8.190 nan 0.000 0.472 323 D N 3.622 124.059 120.400 0.063 0.000 2.354 323 D HA 0.293 4.933 4.640 -0.000 0.000 0.247 323 D C 1.043 177.386 176.300 0.072 0.000 1.138 323 D CA 0.823 54.846 54.000 0.038 0.000 0.958 323 D CB 1.603 42.396 40.800 -0.010 0.000 1.144 323 D HN 0.870 nan 8.370 nan 0.000 0.458 324 G N 1.935 110.755 108.800 0.033 0.000 2.395 324 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.292 324 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.292 324 G C -0.082 174.815 174.900 -0.004 0.000 0.953 324 G CA 0.291 45.390 45.100 -0.002 0.000 1.207 324 G HN 0.384 nan 8.290 nan 0.000 0.503 325 F N 1.150 120.987 119.950 -0.189 0.000 2.411 325 F HA 0.660 5.187 4.527 -0.000 0.000 0.350 325 F C -0.042 175.597 175.800 -0.268 0.000 1.114 325 F CA -1.319 56.610 58.000 -0.119 0.000 1.135 325 F CB 0.730 39.694 39.000 -0.060 0.000 1.120 325 F HN 0.155 nan 8.300 nan 0.000 0.495 326 Y N 5.680 125.620 120.300 -0.600 0.000 2.402 326 Y HA 0.586 5.136 4.550 -0.000 0.000 0.332 326 Y C 0.438 175.981 175.900 -0.596 0.000 0.960 326 Y CA -0.861 57.005 58.100 -0.390 0.000 1.228 326 Y CB 0.937 39.260 38.460 -0.229 0.000 1.120 326 Y HN 0.797 nan 8.280 nan 0.000 0.491 327 A N 3.904 126.651 122.820 -0.122 0.000 2.296 327 A HA 0.686 5.006 4.320 -0.000 0.000 0.264 327 A C -0.163 177.431 177.584 0.016 0.000 1.097 327 A CA -0.621 51.445 52.037 0.048 0.000 0.811 327 A CB 0.566 19.789 19.000 0.373 0.000 1.072 327 A HN 0.826 nan 8.150 nan 0.000 0.495 328 R N 1.059 121.571 120.500 0.020 0.000 2.575 328 R HA 0.132 4.472 4.340 -0.000 0.000 0.292 328 R C -1.175 175.105 176.300 -0.035 0.000 1.246 328 R CA -0.478 55.611 56.100 -0.017 0.000 0.973 328 R CB 0.714 30.980 30.300 -0.057 0.000 1.187 328 R HN 0.959 nan 8.270 nan 0.000 0.478 329 D N 4.290 124.679 120.400 -0.019 0.000 2.531 329 D HA -0.086 4.554 4.640 -0.000 0.000 0.239 329 D C 0.984 177.193 176.300 -0.152 0.000 1.144 329 D CA 0.145 54.110 54.000 -0.058 0.000 0.869 329 D CB 1.026 41.833 40.800 0.012 0.000 1.160 329 D HN 0.430 nan 8.370 nan 0.000 0.484 330 L N 3.944 124.947 121.223 -0.367 0.000 2.017 330 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 330 L C 2.754 179.480 176.870 -0.240 0.000 1.073 330 L CA 1.567 56.114 54.840 -0.489 0.000 0.745 330 L CB -1.013 40.314 42.059 -1.220 0.000 0.894 330 L HN 0.502 nan 8.230 nan 0.000 0.432 331 T N -1.613 112.893 114.554 -0.080 0.000 2.737 331 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 331 T C 1.842 176.567 174.700 0.042 0.000 1.038 331 T CA 1.858 64.011 62.100 0.088 0.000 1.144 331 T CB -0.290 68.715 68.868 0.229 0.000 0.866 331 T HN 0.606 nan 8.240 nan 0.000 0.434 332 T N -0.952 113.618 114.554 0.026 0.000 2.976 332 T HA 0.116 4.466 4.350 -0.000 0.000 0.257 332 T C 0.970 175.669 174.700 -0.002 0.000 1.051 332 T CA 0.526 62.639 62.100 0.022 0.000 1.141 332 T CB -0.062 68.826 68.868 0.032 0.000 0.881 332 T HN 0.281 nan 8.240 nan 0.000 0.461 333 K N 0.615 121.000 120.400 -0.024 0.000 3.423 333 K HA -0.092 4.228 4.320 -0.000 0.000 0.306 333 K C 0.173 176.760 176.600 -0.022 0.000 1.331 333 K CA 0.578 56.844 56.287 -0.035 0.000 0.905 333 K CB -2.410 30.071 32.500 -0.032 0.000 1.332 333 K HN 0.734 nan 8.250 nan 0.000 0.473 334 A N 1.894 124.710 122.820 -0.006 0.000 2.409 334 A HA 0.329 4.649 4.320 -0.000 0.000 0.267 334 A C 0.510 178.100 177.584 0.010 0.000 1.127 334 A CA -0.185 51.855 52.037 0.005 0.000 0.795 334 A CB 0.255 19.267 19.000 0.021 0.000 1.061 334 A HN 0.325 nan 8.150 nan 0.000 0.502 335 R N 2.683 123.185 120.500 0.002 0.000 2.491 335 R HA 0.407 4.747 4.340 -0.000 0.000 0.283 335 R C 0.405 176.747 176.300 0.071 0.000 1.072 335 R CA 0.137 56.245 56.100 0.012 0.000 1.048 335 R CB 0.482 30.762 30.300 -0.033 0.000 0.983 335 R HN 0.850 nan 8.270 nan 0.000 0.450 336 A N 3.111 126.008 122.820 0.128 0.000 2.524 336 A HA 0.013 4.333 4.320 -0.000 0.000 0.250 336 A C 1.444 179.175 177.584 0.244 0.000 1.078 336 A CA 0.368 52.506 52.037 0.168 0.000 0.761 336 A CB 0.214 19.308 19.000 0.155 0.000 1.012 336 A HN 0.997 nan 8.150 nan 0.000 0.500 337 T N 0.621 115.271 114.554 0.160 0.000 2.788 337 T HA 0.193 4.543 4.350 -0.000 0.000 0.268 337 T C 0.792 175.616 174.700 0.207 0.000 1.044 337 T CA 1.197 63.391 62.100 0.157 0.000 1.139 337 T CB -0.260 68.666 68.868 0.096 0.000 0.867 337 T HN 1.463 nan 8.240 nan 0.000 0.454 338 A N 2.680 125.577 122.820 0.128 0.000 2.350 338 A HA 0.752 5.072 4.320 -0.000 0.000 0.324 338 A C -2.629 174.869 177.584 -0.143 0.000 1.118 338 A CA -2.155 49.908 52.037 0.045 0.000 0.783 338 A CB 1.279 20.303 19.000 0.041 0.000 1.236 338 A HN 0.298 nan 8.150 nan 0.000 0.457 339 P HA 0.509 nan 4.420 nan 0.000 0.276 339 P C -0.465 176.746 177.300 -0.148 0.000 1.261 339 P CA -0.000 62.767 63.100 -0.554 0.000 0.800 339 P CB 1.274 32.547 31.700 -0.711 0.000 1.066 340 T N -4.305 110.229 114.554 -0.032 0.000 2.956 340 T HA 0.337 4.687 4.350 -0.000 0.000 0.312 340 T C -0.071 174.661 174.700 0.052 0.000 1.151 340 T CA -0.661 61.463 62.100 0.040 0.000 1.024 340 T CB 0.376 69.277 68.868 0.055 0.000 1.140 340 T HN 0.415 nan 8.240 nan 0.000 0.473 341 T N 0.586 115.181 114.554 0.068 0.000 4.282 341 T HA 0.185 4.535 4.350 -0.000 0.000 0.231 341 T C 0.435 175.127 174.700 -0.014 0.000 1.004 341 T CA -0.538 61.586 62.100 0.040 0.000 1.146 341 T CB -0.722 68.171 68.868 0.042 0.000 1.285 341 T HN 0.740 nan 8.240 nan 0.000 0.971 342 R N 2.912 123.334 120.500 -0.129 0.000 2.458 342 R HA 0.131 4.471 4.340 -0.000 0.000 0.303 342 R C -0.213 175.897 176.300 -0.316 0.000 1.013 342 R CA -0.108 55.777 56.100 -0.358 0.000 1.026 342 R CB -0.151 29.600 30.300 -0.915 0.000 0.948 342 R HN 0.446 nan 8.270 nan 0.000 0.417 343 N N 3.766 122.179 118.700 -0.478 0.000 2.529 343 N HA 0.319 5.059 4.740 -0.000 0.000 0.278 343 N C -1.090 174.173 175.510 -0.413 0.000 1.146 343 N CA -0.104 52.630 53.050 -0.528 0.000 0.980 343 N CB 0.894 38.505 38.487 -1.460 0.000 1.124 343 N HN 0.335 nan 8.380 nan 0.000 0.458 344 L N 1.812 123.027 121.223 -0.013 0.000 2.464 344 L HA 0.491 4.831 4.340 -0.000 0.000 0.266 344 L C -1.141 175.974 176.870 0.407 0.000 0.965 344 L CA -0.538 54.425 54.840 0.206 0.000 0.833 344 L CB 1.924 44.088 42.059 0.175 0.000 1.296 344 L HN 0.296 nan 8.230 nan 0.000 0.405 345 L N 2.534 124.041 121.223 0.472 0.000 2.409 345 L HA 0.739 5.079 4.340 -0.000 0.000 0.272 345 L C -0.159 176.830 176.870 0.197 0.000 0.980 345 L CA -0.045 54.988 54.840 0.322 0.000 0.826 345 L CB 2.171 44.380 42.059 0.251 0.000 1.268 345 L HN 0.684 nan 8.230 nan 0.000 0.407 346 T N 0.718 115.343 114.554 0.117 0.000 2.929 346 T HA 0.468 4.818 4.350 -0.000 0.000 0.331 346 T C 0.480 175.173 174.700 -0.011 0.000 1.120 346 T CA -0.009 62.142 62.100 0.086 0.000 0.973 346 T CB 0.029 68.982 68.868 0.142 0.000 1.036 346 T HN 0.807 nan 8.240 nan 0.000 0.502 347 T N 2.112 116.557 114.554 -0.183 0.000 2.667 347 T HA 0.249 4.599 4.350 -0.000 0.000 0.305 347 T C -1.536 173.101 174.700 -0.104 0.000 1.022 347 T CA -1.222 60.765 62.100 -0.188 0.000 0.995 347 T CB -0.186 68.336 68.868 -0.578 0.000 1.026 347 T HN 0.204 nan 8.240 nan 0.000 0.527 348 P HA 0.020 nan 4.420 nan 0.000 0.220 348 P C 1.393 178.688 177.300 -0.007 0.000 1.148 348 P CA 0.928 64.035 63.100 0.011 0.000 0.803 348 P CB 0.126 31.838 31.700 0.020 0.000 0.782 349 K N -1.650 118.699 120.400 -0.084 0.000 2.308 349 K HA 0.197 4.517 4.320 -0.000 0.000 0.197 349 K C 0.822 177.486 176.600 0.106 0.000 1.049 349 K CA 0.514 56.802 56.287 0.001 0.000 0.991 349 K CB 0.259 32.816 32.500 0.095 0.000 0.836 349 K HN 0.299 nan 8.250 nan 0.000 0.500 350 F N -2.380 117.577 119.950 0.012 0.000 3.052 350 F HA 0.482 5.009 4.527 -0.000 0.000 0.323 350 F C -1.173 174.716 175.800 0.149 0.000 1.178 350 F CA -1.183 56.855 58.000 0.064 0.000 0.892 350 F CB 0.944 39.895 39.000 -0.082 0.000 1.416 350 F HN -0.377 nan 8.300 nan 0.000 0.488 351 T N 1.437 116.342 114.554 0.585 0.000 2.886 351 T HA 0.661 5.011 4.350 -0.000 0.000 0.292 351 T C -1.695 173.435 174.700 0.717 0.000 1.012 351 T CA -0.693 61.714 62.100 0.511 0.000 0.982 351 T CB 1.830 70.963 68.868 0.441 0.000 1.018 351 T HN 0.892 nan 8.240 nan 0.000 0.451 352 V N 1.681 121.983 119.914 0.647 0.000 2.789 352 V HA 0.933 5.053 4.120 -0.000 0.000 0.311 352 V C -1.435 175.113 176.094 0.758 0.000 1.073 352 V CA -0.680 62.020 62.300 0.667 0.000 0.921 352 V CB 1.681 33.873 31.823 0.616 0.000 1.009 352 V HN 1.154 nan 8.190 nan 0.000 0.426 353 A N 6.029 129.305 122.820 0.760 0.000 2.356 353 A HA 0.969 5.289 4.320 -0.000 0.000 0.310 353 A C -1.254 176.691 177.584 0.602 0.000 1.075 353 A CA -0.394 52.001 52.037 0.596 0.000 0.746 353 A CB 1.073 20.335 19.000 0.437 0.000 1.221 353 A HN 1.778 nan 8.150 nan 0.000 0.443 354 W N 0.878 122.251 121.300 0.122 0.000 3.042 354 W HA 0.707 5.367 4.660 -0.000 0.000 0.342 354 W C -1.845 174.669 176.519 -0.007 0.000 1.240 354 W CA -0.835 56.542 57.345 0.053 0.000 1.166 354 W CB 0.783 30.261 29.460 0.029 0.000 1.469 354 W HN 0.437 nan 8.180 nan 0.000 0.579 355 D N 1.740 122.131 120.400 -0.015 0.000 2.313 355 D HA 0.107 4.747 4.640 -0.000 0.000 0.239 355 D C -0.811 175.445 176.300 -0.073 0.000 1.142 355 D CA 0.102 54.050 54.000 -0.088 0.000 0.847 355 D CB 0.428 41.240 40.800 0.020 0.000 1.082 355 D HN 0.511 nan 8.370 nan 0.000 0.480 356 W N 4.406 125.538 121.300 -0.281 0.000 2.295 356 W HA 0.286 4.946 4.660 -0.000 0.000 0.335 356 W C -0.520 175.985 176.519 -0.023 0.000 1.351 356 W CA -0.069 57.184 57.345 -0.154 0.000 1.273 356 W CB 0.390 29.778 29.460 -0.120 0.000 1.214 356 W HN 0.208 nan 8.180 nan 0.000 0.563 357 V N 5.231 124.659 119.914 -0.811 0.000 2.971 357 V HA 0.637 4.757 4.120 -0.000 0.000 0.309 357 V C -2.327 173.053 176.094 -1.190 0.000 1.130 357 V CA -2.860 58.952 62.300 -0.813 0.000 0.964 357 V CB 1.542 33.210 31.823 -0.258 0.000 1.029 357 V HN 0.562 nan 8.190 nan 0.000 0.427 358 P HA 0.127 nan 4.420 nan 0.000 0.269 358 P C 0.084 177.043 177.300 -0.569 0.000 1.217 358 P CA 0.022 62.736 63.100 -0.643 0.000 0.783 358 P CB 1.289 32.805 31.700 -0.306 0.000 0.898 359 K N 2.217 122.183 120.400 -0.722 0.000 2.044 359 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 359 K C 2.173 178.300 176.600 -0.788 0.000 1.045 359 K CA 0.748 56.252 56.287 -1.305 0.000 0.951 359 K CB -0.053 31.671 32.500 -1.293 0.000 0.738 359 K HN 0.226 nan 8.250 nan 0.000 0.443 360 R N 0.284 120.500 120.500 -0.474 0.000 2.083 360 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 360 R C -0.801 175.352 176.300 -0.245 0.000 1.137 360 R CA 1.591 57.504 56.100 -0.310 0.000 0.951 360 R CB -1.283 28.895 30.300 -0.203 0.000 0.851 360 R HN 0.319 nan 8.270 nan 0.000 0.434 361 P HA 0.050 nan 4.420 nan 0.000 0.229 361 P C 0.655 177.883 177.300 -0.120 0.000 1.160 361 P CA 1.117 64.137 63.100 -0.134 0.000 0.777 361 P CB 0.296 31.932 31.700 -0.106 0.000 0.814 362 S N -1.102 114.481 115.700 -0.194 0.000 2.427 362 S HA 0.086 4.556 4.470 -0.000 0.000 0.224 362 S C 1.054 175.578 174.600 -0.127 0.000 1.047 362 S CA 0.294 58.429 58.200 -0.108 0.000 0.953 362 S CB -0.353 62.788 63.200 -0.098 0.000 0.824 362 S HN 0.012 nan 8.310 nan 0.000 0.502 363 V N -1.503 118.214 119.914 -0.329 0.000 3.103 363 V HA 0.864 4.984 4.120 -0.000 0.000 0.318 363 V C -0.348 175.643 176.094 -0.172 0.000 1.114 363 V CA -1.189 60.934 62.300 -0.295 0.000 1.020 363 V CB 1.308 32.726 31.823 -0.675 0.000 1.085 363 V HN 0.276 nan 8.190 nan 0.000 0.446 364 c N 0.985 119.550 118.600 -0.059 0.000 3.241 364 c HA 0.598 5.168 4.570 -0.000 0.000 0.348 364 c C 1.262 175.379 174.090 0.044 0.000 1.180 364 c CA 0.496 56.810 56.329 -0.024 0.000 1.273 364 c CB 1.543 44.034 42.510 -0.031 0.000 1.620 364 c HN 1.229 nan 8.230 nan 0.000 0.510 365 T N 1.060 115.620 114.554 0.010 0.000 3.148 365 T HA 0.263 4.613 4.350 -0.000 0.000 0.253 365 T C 0.471 175.150 174.700 -0.035 0.000 1.134 365 T CA 0.380 62.471 62.100 -0.015 0.000 1.051 365 T CB -0.163 68.650 68.868 -0.092 0.000 0.959 365 T HN 0.562 nan 8.240 nan 0.000 0.525 366 M N 0.854 120.443 119.600 -0.018 0.000 2.704 366 M HA 0.542 5.022 4.480 -0.000 0.000 0.284 366 M C -1.040 175.313 176.300 0.087 0.000 1.275 366 M CA -0.556 54.750 55.300 0.010 0.000 0.811 366 M CB 1.731 34.309 32.600 -0.036 0.000 1.741 366 M HN -0.104 nan 8.290 nan 0.000 0.458 367 T N 0.379 115.045 114.554 0.186 0.000 2.952 367 T HA 0.339 4.689 4.350 -0.000 0.000 0.305 367 T C -0.684 174.271 174.700 0.425 0.000 1.064 367 T CA -0.816 61.434 62.100 0.250 0.000 1.008 367 T CB 2.500 71.469 68.868 0.167 0.000 1.078 367 T HN 0.563 nan 8.240 nan 0.000 0.459 368 K N 1.320 121.975 120.400 0.426 0.000 2.416 368 K HA 0.103 4.423 4.320 -0.000 0.000 0.283 368 K C -0.127 176.588 176.600 0.191 0.000 1.037 368 K CA -0.074 56.341 56.287 0.213 0.000 0.995 368 K CB 0.416 32.999 32.500 0.139 0.000 0.938 368 K HN 0.721 nan 8.250 nan 0.000 0.475 369 W N 3.390 124.627 121.300 -0.105 0.000 3.033 369 W HA 0.185 4.845 4.660 -0.000 0.000 0.250 369 W C -0.493 175.997 176.519 -0.049 0.000 1.105 369 W CA 0.437 57.771 57.345 -0.018 0.000 1.655 369 W CB 0.888 30.390 29.460 0.070 0.000 1.001 369 W HN 0.416 nan 8.180 nan 0.000 0.653 370 Q N 1.508 121.142 119.800 -0.277 0.000 2.289 370 Q HA 0.252 4.592 4.340 -0.000 0.000 0.270 370 Q C -1.468 174.354 176.000 -0.296 0.000 1.038 370 Q CA -0.377 55.160 55.803 -0.444 0.000 0.812 370 Q CB 2.129 30.454 28.738 -0.689 0.000 1.300 370 Q HN 0.174 nan 8.270 nan 0.000 0.427 371 E N 1.248 121.313 120.200 -0.225 0.000 2.175 371 E HA 0.537 4.887 4.350 -0.000 0.000 0.278 371 E C -0.797 175.729 176.600 -0.123 0.000 0.969 371 E CA -0.607 55.702 56.400 -0.152 0.000 0.796 371 E CB 1.923 31.565 29.700 -0.097 0.000 1.104 371 E HN 0.150 nan 8.360 nan 0.000 0.395 372 V N 3.814 123.679 119.914 -0.082 0.000 2.483 372 V HA 0.055 4.175 4.120 -0.000 0.000 0.297 372 V C 0.095 176.207 176.094 0.030 0.000 1.027 372 V CA -0.614 61.662 62.300 -0.040 0.000 0.855 372 V CB 1.605 33.403 31.823 -0.042 0.000 0.995 372 V HN 0.667 nan 8.190 nan 0.000 0.424 373 D N 1.887 122.318 120.400 0.052 0.000 2.077 373 D HA -0.042 4.598 4.640 -0.000 0.000 0.197 373 D C 0.826 177.248 176.300 0.203 0.000 0.983 373 D CA 1.415 55.501 54.000 0.142 0.000 0.841 373 D CB 0.323 41.167 40.800 0.074 0.000 0.992 373 D HN 0.493 nan 8.370 nan 0.000 0.450 374 E N 0.363 120.651 120.200 0.146 0.000 2.063 374 E HA 0.210 4.560 4.350 -0.000 0.000 0.265 374 E C -0.806 175.880 176.600 0.143 0.000 0.919 374 E CA -0.399 56.093 56.400 0.154 0.000 0.756 374 E CB 1.260 31.036 29.700 0.127 0.000 1.120 374 E HN 0.037 nan 8.360 nan 0.000 0.414 375 M N 5.074 124.790 119.600 0.194 0.000 2.036 375 M HA 0.279 4.759 4.480 -0.000 0.000 0.337 375 M C -1.544 174.940 176.300 0.305 0.000 1.012 375 M CA -0.456 54.986 55.300 0.236 0.000 0.962 375 M CB 0.266 33.007 32.600 0.235 0.000 1.423 375 M HN 0.262 nan 8.290 nan 0.000 0.405 376 L N 4.770 126.133 121.223 0.234 0.000 2.313 376 L HA 0.442 4.782 4.340 -0.000 0.000 0.282 376 L C 0.461 177.444 176.870 0.188 0.000 1.092 376 L CA -0.396 54.589 54.840 0.241 0.000 0.831 376 L CB 0.210 42.372 42.059 0.172 0.000 1.159 376 L HN 0.604 nan 8.230 nan 0.000 0.442 377 R N 3.593 124.167 120.500 0.123 0.000 2.295 377 R HA 0.453 4.793 4.340 -0.000 0.000 0.324 377 R C -0.865 175.385 176.300 -0.083 0.000 0.968 377 R CA -0.159 55.785 56.100 -0.260 0.000 0.837 377 R CB 1.618 31.617 30.300 -0.500 0.000 1.133 377 R HN 0.779 nan 8.270 nan 0.000 0.450 378 S N 1.919 117.534 115.700 -0.142 0.000 2.542 378 S HA 0.370 4.840 4.470 -0.000 0.000 0.293 378 S C -0.657 173.899 174.600 -0.073 0.000 1.089 378 S CA -0.930 57.164 58.200 -0.177 0.000 0.961 378 S CB 2.299 65.192 63.200 -0.512 0.000 1.062 378 S HN 0.634 nan 8.310 nan 0.000 0.483 379 E N 1.064 121.220 120.200 -0.074 0.000 2.134 379 E HA 0.354 4.704 4.350 -0.000 0.000 0.278 379 E C -1.929 174.643 176.600 -0.046 0.000 0.959 379 E CA -0.695 55.625 56.400 -0.133 0.000 0.783 379 E CB 0.843 30.414 29.700 -0.215 0.000 1.095 379 E HN 0.734 nan 8.360 nan 0.000 0.399 380 Y N 3.684 123.878 120.300 -0.177 0.000 2.544 380 Y HA 0.365 4.915 4.550 -0.000 0.000 0.347 380 Y C -0.057 175.784 175.900 -0.097 0.000 1.089 380 Y CA 0.287 58.313 58.100 -0.124 0.000 1.230 380 Y CB 1.064 39.465 38.460 -0.098 0.000 1.101 380 Y HN 0.756 nan 8.280 nan 0.000 0.641 381 G N 2.026 110.668 108.800 -0.264 0.000 2.683 381 G HA2 0.139 4.099 3.960 -0.000 0.000 0.234 381 G HA3 0.139 4.099 3.960 -0.000 0.000 0.234 381 G C 0.752 175.575 174.900 -0.128 0.000 1.135 381 G CA 0.032 45.004 45.100 -0.214 0.000 0.975 381 G HN 1.751 nan 8.290 nan 0.000 0.511 382 G N -1.607 107.099 108.800 -0.157 0.000 2.233 382 G HA2 0.091 4.051 3.960 -0.000 0.000 0.270 382 G HA3 0.091 4.051 3.960 -0.000 0.000 0.270 382 G C 0.327 175.142 174.900 -0.142 0.000 1.011 382 G CA 1.007 46.022 45.100 -0.141 0.000 0.762 382 G HN 1.928 nan 8.290 nan 0.000 0.511 383 S N -1.336 114.254 115.700 -0.183 0.000 2.543 383 S HA 0.634 5.104 4.470 -0.000 0.000 0.273 383 S C -0.537 173.959 174.600 -0.173 0.000 1.152 383 S CA -0.863 57.261 58.200 -0.125 0.000 0.910 383 S CB 1.337 64.550 63.200 0.021 0.000 1.105 383 S HN 0.332 nan 8.310 nan 0.000 0.465 384 F N 1.990 121.912 119.950 -0.047 0.000 2.406 384 F HA 0.463 4.990 4.527 -0.000 0.000 0.327 384 F C 1.320 177.009 175.800 -0.183 0.000 1.153 384 F CA -0.200 57.663 58.000 -0.229 0.000 1.218 384 F CB 0.579 39.291 39.000 -0.480 0.000 1.215 384 F HN 0.311 nan 8.300 nan 0.000 0.570 385 R N 2.130 122.580 120.500 -0.083 0.000 2.487 385 R HA 0.288 4.628 4.340 -0.000 0.000 0.288 385 R C -1.730 174.489 176.300 -0.135 0.000 1.394 385 R CA -0.503 55.582 56.100 -0.026 0.000 1.155 385 R CB 0.618 30.923 30.300 0.010 0.000 1.156 385 R HN 0.397 nan 8.270 nan 0.000 0.553 386 F N 1.729 121.733 119.950 0.091 0.000 2.424 386 F HA 0.252 4.779 4.527 -0.000 0.000 0.356 386 F C 0.924 176.854 175.800 0.217 0.000 1.110 386 F CA -0.160 57.858 58.000 0.029 0.000 1.161 386 F CB 1.446 40.353 39.000 -0.155 0.000 1.115 386 F HN 0.300 nan 8.300 nan 0.000 0.507 387 S N 1.533 117.440 115.700 0.345 0.000 2.542 387 S HA 0.759 5.229 4.470 -0.000 0.000 0.293 387 S C -0.730 174.059 174.600 0.315 0.000 1.089 387 S CA -0.832 57.589 58.200 0.369 0.000 0.961 387 S CB 1.919 65.338 63.200 0.365 0.000 1.062 387 S HN 0.521 nan 8.310 nan 0.000 0.483 388 S N 0.509 116.382 115.700 0.287 0.000 2.594 388 S HA 0.387 4.857 4.470 -0.000 0.000 0.296 388 S C -0.122 174.525 174.600 0.078 0.000 1.124 388 S CA -0.548 57.743 58.200 0.151 0.000 1.011 388 S CB 1.580 64.812 63.200 0.053 0.000 1.016 388 S HN 0.749 nan 8.310 nan 0.000 0.485 389 D N 3.935 124.419 120.400 0.139 0.000 2.183 389 D HA 0.107 4.747 4.640 -0.000 0.000 0.203 389 D C 2.039 178.281 176.300 -0.098 0.000 0.969 389 D CA 1.483 55.541 54.000 0.097 0.000 0.842 389 D CB 0.043 40.932 40.800 0.149 0.000 0.957 389 D HN 0.672 nan 8.370 nan 0.000 0.484 390 A N 0.507 123.278 122.820 -0.082 0.000 1.908 390 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 390 A C 2.042 179.517 177.584 -0.180 0.000 1.181 390 A CA 1.585 53.556 52.037 -0.109 0.000 0.627 390 A CB -0.622 18.329 19.000 -0.082 0.000 0.818 390 A HN 0.492 nan 8.150 nan 0.000 0.445 391 I N -5.705 114.717 120.570 -0.247 0.000 4.050 391 I HA 0.314 4.484 4.170 -0.000 0.000 0.327 391 I C -0.037 175.808 176.117 -0.453 0.000 1.473 391 I CA 0.175 61.300 61.300 -0.292 0.000 1.124 391 I CB 0.138 37.980 38.000 -0.264 0.000 1.129 391 I HN 0.006 nan 8.210 nan 0.000 0.428 392 S N 1.589 116.845 115.700 -0.740 0.000 3.572 392 S HA -0.139 4.331 4.470 -0.000 0.000 0.394 392 S C 0.029 173.953 174.600 -1.127 0.000 0.923 392 S CA 1.103 58.429 58.200 -1.457 0.000 1.291 392 S CB -1.833 60.855 63.200 -0.853 0.000 0.914 392 S HN 0.787 nan 8.310 nan 0.000 0.545 393 T N 1.374 115.413 114.554 -0.857 0.000 3.032 393 T HA 0.546 4.896 4.350 -0.000 0.000 0.312 393 T C -0.366 174.273 174.700 -0.102 0.000 1.078 393 T CA -0.671 61.172 62.100 -0.429 0.000 1.028 393 T CB 2.176 70.784 68.868 -0.432 0.000 1.091 393 T HN 0.151 nan 8.240 nan 0.000 0.457 394 T N 3.164 117.617 114.554 -0.169 0.000 2.815 394 T HA 0.633 4.983 4.350 -0.000 0.000 0.289 394 T C -0.743 173.824 174.700 -0.220 0.000 1.000 394 T CA -0.446 61.657 62.100 0.004 0.000 0.958 394 T CB 0.257 69.189 68.868 0.108 0.000 0.944 394 T HN 0.331 nan 8.240 nan 0.000 0.442 395 F N 1.409 121.397 119.950 0.064 0.000 2.411 395 F HA 0.655 5.182 4.527 -0.000 0.000 0.324 395 F C 1.060 176.961 175.800 0.170 0.000 1.086 395 F CA -0.754 57.295 58.000 0.082 0.000 1.028 395 F CB 1.455 40.521 39.000 0.110 0.000 1.284 395 F HN 0.291 nan 8.300 nan 0.000 0.501 396 T N 0.251 115.048 114.554 0.405 0.000 2.949 396 T HA 0.530 4.880 4.350 -0.000 0.000 0.300 396 T C -0.549 174.366 174.700 0.358 0.000 0.988 396 T CA -0.898 61.397 62.100 0.325 0.000 0.993 396 T CB 1.261 70.272 68.868 0.239 0.000 0.984 396 T HN 0.754 nan 8.240 nan 0.000 0.442 397 T N 0.733 115.517 114.554 0.383 0.000 2.887 397 T HA 0.654 5.004 4.350 -0.000 0.000 0.292 397 T C -0.205 174.718 174.700 0.372 0.000 1.087 397 T CA -0.987 61.355 62.100 0.402 0.000 1.009 397 T CB 1.299 70.467 68.868 0.499 0.000 1.203 397 T HN 0.238 nan 8.240 nan 0.000 0.518 398 N N 0.033 118.961 118.700 0.380 0.000 2.381 398 N HA 0.370 5.110 4.740 -0.000 0.000 0.254 398 N C 1.281 177.073 175.510 0.471 0.000 1.264 398 N CA -0.856 52.387 53.050 0.321 0.000 0.942 398 N CB 0.255 38.911 38.487 0.280 0.000 1.190 398 N HN 0.612 nan 8.380 nan 0.000 0.495 399 L N -0.370 121.012 121.223 0.265 0.000 2.131 399 L HA -0.024 4.316 4.340 -0.000 0.000 0.206 399 L C 1.028 178.266 176.870 0.614 0.000 1.087 399 L CA 0.673 55.687 54.840 0.290 0.000 0.767 399 L CB -0.637 41.401 42.059 -0.034 0.000 0.917 399 L HN 0.601 nan 8.230 nan 0.000 0.441 400 T N -1.839 112.958 114.554 0.405 0.000 2.926 400 T HA 0.079 4.429 4.350 -0.000 0.000 0.307 400 T C 0.159 175.048 174.700 0.315 0.000 1.059 400 T CA -0.596 61.693 62.100 0.315 0.000 1.122 400 T CB 1.339 70.325 68.868 0.197 0.000 0.972 400 T HN 0.080 nan 8.240 nan 0.000 0.545 401 E N 0.814 121.054 120.200 0.067 0.000 2.392 401 E HA 0.148 4.498 4.350 -0.000 0.000 0.256 401 E C -1.312 175.292 176.600 0.006 0.000 1.145 401 E CA -0.520 55.725 56.400 -0.257 0.000 0.929 401 E CB 0.528 30.055 29.700 -0.288 0.000 0.998 401 E HN 0.733 nan 8.360 nan 0.000 0.442 402 Y N 2.596 122.834 120.300 -0.103 0.000 2.334 402 Y HA 0.303 4.853 4.550 -0.000 0.000 0.336 402 Y C -2.249 173.642 175.900 -0.014 0.000 0.960 402 Y CA -2.458 55.640 58.100 -0.002 0.000 1.164 402 Y CB 1.162 39.653 38.460 0.052 0.000 1.155 402 Y HN 0.345 nan 8.280 nan 0.000 0.478 403 P HA -0.006 nan 4.420 nan 0.000 0.269 403 P C 0.098 177.266 177.300 -0.220 0.000 1.209 403 P CA 0.040 62.995 63.100 -0.240 0.000 0.776 403 P CB 1.020 32.552 31.700 -0.280 0.000 0.876 404 L N 2.043 123.160 121.223 -0.176 0.000 2.446 404 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 404 L C 2.136 178.914 176.870 -0.154 0.000 1.116 404 L CA 1.399 56.116 54.840 -0.205 0.000 0.844 404 L CB -1.112 40.760 42.059 -0.311 0.000 0.970 404 L HN 0.366 nan 8.230 nan 0.000 0.457 405 S N -0.997 114.619 115.700 -0.139 0.000 2.447 405 S HA -0.218 4.252 4.470 -0.000 0.000 0.233 405 S C 2.095 176.633 174.600 -0.104 0.000 1.006 405 S CA 0.728 58.863 58.200 -0.109 0.000 0.957 405 S CB -0.444 62.698 63.200 -0.096 0.000 0.773 405 S HN 0.428 nan 8.310 nan 0.000 0.507 406 R N 0.806 121.222 120.500 -0.140 0.000 2.313 406 R HA 0.221 4.561 4.340 -0.000 0.000 0.199 406 R C -0.629 175.655 176.300 -0.027 0.000 0.958 406 R CA 0.029 56.061 56.100 -0.114 0.000 1.047 406 R CB 0.054 30.204 30.300 -0.249 0.000 0.955 406 R HN 0.304 nan 8.270 nan 0.000 0.481 407 V N 1.874 121.768 119.914 -0.034 0.000 2.406 407 V HA 0.043 4.163 4.120 -0.000 0.000 0.272 407 V C -0.068 176.004 176.094 -0.037 0.000 1.043 407 V CA -0.752 61.535 62.300 -0.022 0.000 0.915 407 V CB 1.325 33.109 31.823 -0.064 0.000 0.988 407 V HN 0.066 nan 8.190 nan 0.000 0.466 408 D N 5.522 125.910 120.400 -0.020 0.000 2.348 408 D HA 0.104 4.744 4.640 -0.000 0.000 0.259 408 D C 0.561 176.870 176.300 0.016 0.000 1.296 408 D CA 0.216 54.222 54.000 0.010 0.000 0.931 408 D CB 0.190 41.015 40.800 0.042 0.000 1.067 408 D HN 0.646 nan 8.370 nan 0.000 0.503 409 L N 3.279 124.498 121.223 -0.007 0.000 3.468 409 L HA -0.194 4.146 4.340 -0.000 0.000 0.537 409 L C 0.054 176.885 176.870 -0.066 0.000 1.321 409 L CA 0.437 55.258 54.840 -0.032 0.000 0.899 409 L CB -0.756 41.319 42.059 0.027 0.000 1.635 409 L HN 0.593 nan 8.230 nan 0.000 0.856 410 G N 0.107 108.848 108.800 -0.097 0.000 4.975 410 G HA2 0.399 4.359 3.960 -0.000 0.000 0.312 410 G HA3 0.399 4.359 3.960 -0.000 0.000 0.312 410 G C 0.033 174.836 174.900 -0.162 0.000 1.425 410 G CA -0.176 44.841 45.100 -0.139 0.000 1.076 410 G HN 0.430 nan 8.290 nan 0.000 0.586 411 D N 0.254 120.573 120.400 -0.134 0.000 2.519 411 D HA 0.159 4.799 4.640 -0.000 0.000 0.238 411 D C 1.446 177.679 176.300 -0.111 0.000 1.192 411 D CA -0.062 53.865 54.000 -0.123 0.000 0.835 411 D CB 0.212 40.948 40.800 -0.106 0.000 0.975 411 D HN 0.366 nan 8.370 nan 0.000 0.490 412 c N -1.430 117.087 118.600 -0.138 0.000 2.374 412 c HA 0.227 4.797 4.570 -0.000 0.000 0.412 412 c C 2.516 176.504 174.090 -0.170 0.000 1.421 412 c CA -0.401 55.865 56.329 -0.105 0.000 2.484 412 c CB -0.721 41.746 42.510 -0.072 0.000 2.598 412 c HN 0.271 nan 8.230 nan 0.000 0.584 413 I N 3.123 123.460 120.570 -0.389 0.000 2.141 413 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 413 I C 2.644 178.576 176.117 -0.308 0.000 1.035 413 I CA 2.254 63.104 61.300 -0.750 0.000 1.302 413 I CB -1.206 36.310 38.000 -0.807 0.000 1.006 413 I HN 0.546 nan 8.210 nan 0.000 0.413 414 G N 0.381 109.054 108.800 -0.212 0.000 2.604 414 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.216 414 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.216 414 G C 1.955 176.886 174.900 0.052 0.000 1.265 414 G CA 1.952 47.029 45.100 -0.039 0.000 0.804 414 G HN 0.419 nan 8.290 nan 0.000 0.579 415 K N 0.907 121.317 120.400 0.018 0.000 2.059 415 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 415 K C 2.118 178.773 176.600 0.093 0.000 1.050 415 K CA 2.326 58.640 56.287 0.046 0.000 0.927 415 K CB -1.294 31.220 32.500 0.022 0.000 0.714 415 K HN 0.500 nan 8.250 nan 0.000 0.447 416 D N -0.172 120.303 120.400 0.125 0.000 2.097 416 D HA -0.096 4.544 4.640 -0.000 0.000 0.195 416 D C 2.354 178.813 176.300 0.265 0.000 0.989 416 D CA 1.578 55.705 54.000 0.212 0.000 0.827 416 D CB -0.226 40.772 40.800 0.330 0.000 0.966 416 D HN 0.523 nan 8.370 nan 0.000 0.456 417 A N 1.760 124.801 122.820 0.370 0.000 1.851 417 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 417 A C 2.227 179.916 177.584 0.175 0.000 1.195 417 A CA 1.493 53.736 52.037 0.342 0.000 0.622 417 A CB -0.612 18.664 19.000 0.459 0.000 0.831 417 A HN 0.122 nan 8.150 nan 0.000 0.444 418 R N -0.415 120.172 120.500 0.144 0.000 2.088 418 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 418 R C 1.926 178.267 176.300 0.068 0.000 1.136 418 R CA 1.791 57.940 56.100 0.081 0.000 0.926 418 R CB -0.730 29.610 30.300 0.067 0.000 0.837 418 R HN 0.516 nan 8.270 nan 0.000 0.429 419 D N 0.300 120.745 120.400 0.075 0.000 2.157 419 D HA -0.236 4.404 4.640 -0.000 0.000 0.191 419 D C 1.775 178.115 176.300 0.065 0.000 1.004 419 D CA 1.965 56.004 54.000 0.065 0.000 0.854 419 D CB -0.320 40.520 40.800 0.067 0.000 0.936 419 D HN 0.362 nan 8.370 nan 0.000 0.446 420 A N 0.123 122.987 122.820 0.073 0.000 1.855 420 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 420 A C 2.253 179.875 177.584 0.063 0.000 1.191 420 A CA 1.570 53.642 52.037 0.060 0.000 0.613 420 A CB -0.583 18.446 19.000 0.050 0.000 0.829 420 A HN 0.149 nan 8.150 nan 0.000 0.442 421 M N -0.291 119.346 119.600 0.062 0.000 2.086 421 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 421 M C 1.379 177.738 176.300 0.100 0.000 1.067 421 M CA 1.715 57.052 55.300 0.062 0.000 1.116 421 M CB -0.680 31.930 32.600 0.016 0.000 1.348 421 M HN 0.292 nan 8.290 nan 0.000 0.407 422 D N -0.262 120.180 120.400 0.070 0.000 2.263 422 D HA -0.134 4.506 4.640 -0.000 0.000 0.208 422 D C 1.925 178.307 176.300 0.136 0.000 0.971 422 D CA 0.966 55.020 54.000 0.090 0.000 0.867 422 D CB -0.368 40.459 40.800 0.044 0.000 0.929 422 D HN 0.382 nan 8.370 nan 0.000 0.492 423 R N 0.226 120.789 120.500 0.106 0.000 2.127 423 R HA 0.077 4.417 4.340 -0.000 0.000 0.217 423 R C 2.171 178.531 176.300 0.099 0.000 1.074 423 R CA 0.395 56.548 56.100 0.089 0.000 0.991 423 R CB 0.030 30.366 30.300 0.061 0.000 0.895 423 R HN 0.112 nan 8.270 nan 0.000 0.450 424 I N 0.113 120.757 120.570 0.124 0.000 2.333 424 I HA -0.186 3.984 4.170 -0.000 0.000 0.246 424 I C 2.021 178.267 176.117 0.215 0.000 1.106 424 I CA 0.751 62.132 61.300 0.133 0.000 1.411 424 I CB -0.257 37.826 38.000 0.139 0.000 1.082 424 I HN 0.153 nan 8.210 nan 0.000 0.420 425 F N 2.171 122.209 119.950 0.147 0.000 2.095 425 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 425 F C 2.474 178.358 175.800 0.140 0.000 1.104 425 F CA 1.643 59.776 58.000 0.222 0.000 1.232 425 F CB -0.200 38.849 39.000 0.081 0.000 0.987 425 F HN -0.007 nan 8.300 nan 0.000 0.475 426 A N 0.192 123.164 122.820 0.252 0.000 2.070 426 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 426 A C 2.312 179.880 177.584 -0.028 0.000 1.159 426 A CA 1.687 53.796 52.037 0.119 0.000 0.656 426 A CB -0.759 18.333 19.000 0.154 0.000 0.800 426 A HN 0.555 nan 8.150 nan 0.000 0.453 427 R N -1.321 119.151 120.500 -0.047 0.000 2.123 427 R HA 0.133 4.473 4.340 -0.000 0.000 0.209 427 R C 2.267 178.453 176.300 -0.190 0.000 1.078 427 R CA 0.872 56.918 56.100 -0.090 0.000 1.028 427 R CB -0.091 30.174 30.300 -0.058 0.000 0.939 427 R HN 0.451 nan 8.270 nan 0.000 0.463 428 R N -1.227 119.096 120.500 -0.296 0.000 2.195 428 R HA 0.048 4.388 4.340 -0.000 0.000 0.197 428 R C 0.437 176.278 176.300 -0.764 0.000 0.990 428 R CA 0.614 56.373 56.100 -0.568 0.000 1.048 428 R CB 0.326 30.145 30.300 -0.801 0.000 0.997 428 R HN 0.221 nan 8.270 nan 0.000 0.502 429 Y N 0.054 120.074 120.300 -0.466 0.000 2.557 429 Y HA 0.211 4.761 4.550 -0.000 0.000 0.247 429 Y C 1.285 176.640 175.900 -0.908 0.000 1.164 429 Y CA -0.427 57.282 58.100 -0.651 0.000 1.218 429 Y CB 0.141 38.132 38.460 -0.781 0.000 1.210 429 Y HN 0.129 nan 8.280 nan 0.000 0.529 430 N N 2.069 120.416 118.700 -0.589 0.000 2.049 430 N HA -0.279 4.461 4.740 -0.000 0.000 0.198 430 N C 1.729 177.143 175.510 -0.160 0.000 1.030 430 N CA 2.548 55.382 53.050 -0.360 0.000 0.870 430 N CB -0.147 38.248 38.487 -0.154 0.000 1.045 430 N HN 0.366 nan 8.380 nan 0.000 0.434 431 A N -1.868 120.890 122.820 -0.104 0.000 1.963 431 A HA 0.158 4.478 4.320 -0.000 0.000 0.207 431 A C 2.160 179.744 177.584 0.000 0.000 1.243 431 A CA 1.143 53.163 52.037 -0.029 0.000 0.728 431 A CB -0.550 18.432 19.000 -0.031 0.000 0.895 431 A HN 0.402 nan 8.150 nan 0.000 0.467 432 T N -0.088 114.488 114.554 0.037 0.000 2.985 432 T HA 0.102 4.452 4.350 -0.000 0.000 0.266 432 T C 0.586 175.219 174.700 -0.111 0.000 1.076 432 T CA 1.342 63.454 62.100 0.019 0.000 1.135 432 T CB -0.250 68.691 68.868 0.122 0.000 0.890 432 T HN 0.613 nan 8.240 nan 0.000 0.480 433 H N -1.044 118.042 119.070 0.027 0.000 3.024 433 H HA 0.747 5.303 4.556 -0.000 0.000 0.305 433 H C -0.713 174.688 175.328 0.122 0.000 1.506 433 H CA -1.317 54.774 56.048 0.073 0.000 1.324 433 H CB 1.054 30.887 29.762 0.119 0.000 1.925 433 H HN -0.005 nan 8.280 nan 0.000 0.661 434 I N 0.518 121.223 120.570 0.224 0.000 2.569 434 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 434 I C -0.785 175.309 176.117 -0.038 0.000 1.088 434 I CA -0.951 60.389 61.300 0.066 0.000 1.047 434 I CB 2.112 39.988 38.000 -0.206 0.000 1.237 434 I HN 0.208 nan 8.210 nan 0.000 0.421 435 K N 4.534 124.854 120.400 -0.135 0.000 2.436 435 K HA 0.276 4.596 4.320 -0.000 0.000 0.282 435 K C -0.778 175.697 176.600 -0.208 0.000 1.044 435 K CA -0.102 56.026 56.287 -0.265 0.000 1.028 435 K CB 0.853 33.097 32.500 -0.427 0.000 0.919 435 K HN 0.278 nan 8.250 nan 0.000 0.474 436 V N 3.500 123.306 119.914 -0.180 0.000 2.347 436 V HA 0.402 4.522 4.120 -0.000 0.000 0.280 436 V C 0.636 176.615 176.094 -0.193 0.000 1.021 436 V CA -0.024 62.222 62.300 -0.090 0.000 0.847 436 V CB 0.548 32.357 31.823 -0.023 0.000 0.990 436 V HN 1.107 nan 8.190 nan 0.000 0.444 437 G N 5.442 114.041 108.800 -0.335 0.000 2.750 437 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.228 437 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.228 437 G C -0.602 174.195 174.900 -0.172 0.000 1.367 437 G CA -0.320 44.581 45.100 -0.331 0.000 0.871 437 G HN 0.663 nan 8.290 nan 0.000 0.560 438 Q N 0.150 119.876 119.800 -0.123 0.000 2.297 438 Q HA 0.528 4.868 4.340 -0.000 0.000 0.269 438 Q C -2.305 173.615 176.000 -0.134 0.000 1.051 438 Q CA -1.788 53.954 55.803 -0.102 0.000 0.869 438 Q CB 1.547 30.259 28.738 -0.044 0.000 1.346 438 Q HN 0.413 nan 8.270 nan 0.000 0.457 439 P HA -0.158 nan 4.420 nan 0.000 0.263 439 P C -1.255 175.801 177.300 -0.408 0.000 1.168 439 P CA 0.926 63.859 63.100 -0.278 0.000 0.759 439 P CB 0.358 31.929 31.700 -0.215 0.000 0.782 440 Q N 1.557 121.068 119.800 -0.482 0.000 2.399 440 Q HA 0.605 4.945 4.340 -0.000 0.000 0.276 440 Q C -1.123 174.497 176.000 -0.633 0.000 1.098 440 Q CA -0.575 54.984 55.803 -0.407 0.000 0.827 440 Q CB 1.819 30.526 28.738 -0.052 0.000 1.386 440 Q HN 0.396 nan 8.270 nan 0.000 0.443 441 Y N 0.336 120.546 120.300 -0.150 0.000 2.386 441 Y HA 0.494 5.044 4.550 -0.000 0.000 0.334 441 Y C -1.245 174.535 175.900 -0.200 0.000 1.002 441 Y CA -0.830 57.238 58.100 -0.054 0.000 1.068 441 Y CB 1.209 39.681 38.460 0.020 0.000 1.203 441 Y HN 0.504 nan 8.280 nan 0.000 0.443 442 Y N 1.948 122.352 120.300 0.173 0.000 2.570 442 Y HA 0.586 5.136 4.550 -0.000 0.000 0.345 442 Y C -0.879 175.079 175.900 0.097 0.000 1.014 442 Y CA -1.425 56.784 58.100 0.182 0.000 1.063 442 Y CB 1.586 40.144 38.460 0.165 0.000 1.272 442 Y HN 0.486 nan 8.280 nan 0.000 0.477 443 L N 2.488 123.853 121.223 0.236 0.000 2.260 443 L HA 0.751 5.091 4.340 -0.000 0.000 0.289 443 L C -0.106 176.870 176.870 0.175 0.000 1.057 443 L CA -0.376 54.480 54.840 0.026 0.000 0.811 443 L CB -0.030 41.892 42.059 -0.228 0.000 1.184 443 L HN 0.729 nan 8.230 nan 0.000 0.429 444 A N 4.343 127.292 122.820 0.214 0.000 2.354 444 A HA 0.432 4.752 4.320 -0.000 0.000 0.269 444 A C -0.093 177.711 177.584 0.366 0.000 1.109 444 A CA -0.672 51.571 52.037 0.343 0.000 0.800 444 A CB 0.034 19.304 19.000 0.451 0.000 1.045 444 A HN 0.768 nan 8.150 nan 0.000 0.489 445 N N 0.784 119.708 118.700 0.374 0.000 2.447 445 N HA 0.337 5.077 4.740 -0.000 0.000 0.263 445 N C 1.057 176.831 175.510 0.441 0.000 1.226 445 N CA 1.516 54.759 53.050 0.322 0.000 0.906 445 N CB 1.001 39.663 38.487 0.291 0.000 1.060 445 N HN 1.200 nan 8.380 nan 0.000 0.468 446 G N 0.541 109.493 108.800 0.253 0.000 2.231 446 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.206 446 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.206 446 G C 0.587 175.560 174.900 0.121 0.000 0.996 446 G CA 0.135 45.388 45.100 0.254 0.000 0.645 446 G HN 1.242 nan 8.290 nan 0.000 0.498 447 G N -0.957 107.921 108.800 0.130 0.000 2.140 447 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.211 447 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.211 447 G C 0.105 174.912 174.900 -0.156 0.000 1.013 447 G CA 0.258 45.314 45.100 -0.074 0.000 0.705 447 G HN 1.152 nan 8.290 nan 0.000 0.508 448 F N -0.794 119.217 119.950 0.102 0.000 2.379 448 F HA 0.765 5.292 4.527 -0.000 0.000 0.332 448 F C 0.467 176.313 175.800 0.076 0.000 1.096 448 F CA -1.275 56.802 58.000 0.128 0.000 1.105 448 F CB 1.538 40.702 39.000 0.273 0.000 1.189 448 F HN 0.085 nan 8.300 nan 0.000 0.515 449 L N 3.972 125.358 121.223 0.272 0.000 2.322 449 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 449 L C -0.958 176.054 176.870 0.238 0.000 1.014 449 L CA -0.601 54.370 54.840 0.219 0.000 0.815 449 L CB 1.164 43.352 42.059 0.214 0.000 1.247 449 L HN 0.436 nan 8.230 nan 0.000 0.421 450 I N 5.183 125.824 120.570 0.118 0.000 2.411 450 I HA 0.523 4.693 4.170 -0.000 0.000 0.284 450 I C -0.011 176.151 176.117 0.075 0.000 1.012 450 I CA -0.665 60.588 61.300 -0.077 0.000 1.119 450 I CB 1.704 39.374 38.000 -0.549 0.000 1.261 450 I HN 0.747 nan 8.210 nan 0.000 0.448 451 A N 6.248 129.188 122.820 0.201 0.000 2.362 451 A HA 0.490 4.810 4.320 -0.000 0.000 0.276 451 A C -1.282 176.302 177.584 0.000 0.000 1.153 451 A CA 0.086 52.180 52.037 0.095 0.000 0.813 451 A CB 0.176 19.407 19.000 0.386 0.000 1.081 451 A HN 0.597 nan 8.150 nan 0.000 0.507 452 Y N 1.664 121.804 120.300 -0.265 0.000 2.373 452 Y HA 0.519 5.069 4.550 -0.000 0.000 0.336 452 Y C -0.396 175.412 175.900 -0.153 0.000 0.979 452 Y CA -1.003 56.997 58.100 -0.166 0.000 1.080 452 Y CB 2.169 40.577 38.460 -0.086 0.000 1.190 452 Y HN 0.659 nan 8.280 nan 0.000 0.446 453 Q N 8.335 127.871 119.800 -0.440 0.000 2.508 453 Q HA 0.504 4.844 4.340 -0.000 0.000 0.247 453 Q C -2.882 172.766 176.000 -0.587 0.000 1.047 453 Q CA -2.585 52.960 55.803 -0.430 0.000 0.783 453 Q CB 1.287 29.856 28.738 -0.280 0.000 1.172 453 Q HN 0.318 nan 8.270 nan 0.000 0.515 454 P HA 0.019 nan 4.420 nan 0.000 0.265 454 P C -0.867 176.255 177.300 -0.296 0.000 1.187 454 P CA 0.432 63.244 63.100 -0.480 0.000 0.766 454 P CB 0.602 32.137 31.700 -0.274 0.000 0.820 455 L N 2.574 123.664 121.223 -0.222 0.000 2.256 455 L HA 0.745 5.085 4.340 -0.000 0.000 0.261 455 L C -0.288 176.586 176.870 0.005 0.000 1.022 455 L CA -1.083 53.691 54.840 -0.111 0.000 0.828 455 L CB 1.565 43.507 42.059 -0.195 0.000 1.374 455 L HN 0.222 nan 8.230 nan 0.000 0.436 456 L N 0.154 121.427 121.223 0.083 0.000 2.639 456 L HA 0.342 4.682 4.340 -0.000 0.000 0.264 456 L C -0.679 176.214 176.870 0.039 0.000 0.948 456 L CA -0.033 54.851 54.840 0.073 0.000 0.912 456 L CB 2.088 44.143 42.059 -0.007 0.000 1.294 456 L HN 0.552 nan 8.230 nan 0.000 0.412 457 S N 2.108 117.783 115.700 -0.041 0.000 2.525 457 S HA 0.041 4.511 4.470 -0.000 0.000 0.285 457 S C 1.234 175.730 174.600 -0.173 0.000 1.283 457 S CA 0.132 58.114 58.200 -0.364 0.000 1.072 457 S CB 0.302 63.273 63.200 -0.382 0.000 0.867 457 S HN 0.861 nan 8.310 nan 0.000 0.492 458 N N 3.944 122.546 118.700 -0.162 0.000 2.513 458 N HA -0.122 4.618 4.740 -0.000 0.000 0.187 458 N C 1.202 176.676 175.510 -0.060 0.000 1.056 458 N CA 1.470 54.472 53.050 -0.080 0.000 0.907 458 N CB -0.862 37.592 38.487 -0.055 0.000 0.954 458 N HN 0.523 nan 8.380 nan 0.000 0.445 459 T N 0.624 115.127 114.554 -0.085 0.000 2.803 459 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 459 T C 1.109 175.795 174.700 -0.023 0.000 1.052 459 T CA 0.997 63.066 62.100 -0.052 0.000 1.136 459 T CB -0.187 68.645 68.868 -0.060 0.000 0.864 459 T HN 0.331 nan 8.240 nan 0.000 0.467 460 L N 0.080 121.290 121.223 -0.021 0.000 3.110 460 L HA 0.524 4.864 4.340 -0.000 0.000 0.266 460 L C 2.173 179.058 176.870 0.024 0.000 1.257 460 L CA -0.359 54.486 54.840 0.009 0.000 1.038 460 L CB -0.310 41.760 42.059 0.019 0.000 1.395 460 L HN 0.068 nan 8.230 nan 0.000 0.566 461 A N 0.668 123.496 122.820 0.013 0.000 1.986 461 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 461 A C 2.054 179.690 177.584 0.088 0.000 1.171 461 A CA 1.687 53.743 52.037 0.032 0.000 0.640 461 A CB -0.252 18.760 19.000 0.021 0.000 0.811 461 A HN 0.573 nan 8.150 nan 0.000 0.451 462 E N -0.295 119.946 120.200 0.069 0.000 2.401 462 E HA -0.089 4.261 4.350 -0.000 0.000 0.199 462 E C 1.225 177.882 176.600 0.095 0.000 1.023 462 E CA 0.719 57.165 56.400 0.076 0.000 0.859 462 E CB -0.241 29.489 29.700 0.050 0.000 0.780 462 E HN 0.720 nan 8.360 nan 0.000 0.523 463 L N -0.417 120.873 121.223 0.111 0.000 2.585 463 L HA 0.068 4.408 4.340 -0.000 0.000 0.226 463 L C 2.019 179.007 176.870 0.196 0.000 1.113 463 L CA -0.078 54.834 54.840 0.120 0.000 0.876 463 L CB -0.410 41.707 42.059 0.097 0.000 1.072 463 L HN 0.190 nan 8.230 nan 0.000 0.468 464 Y N 1.418 121.752 120.300 0.056 0.000 1.993 464 Y HA -0.389 4.161 4.550 -0.000 0.000 0.267 464 Y C 2.589 178.549 175.900 0.101 0.000 1.155 464 Y CA 1.911 60.059 58.100 0.080 0.000 1.105 464 Y CB 0.035 38.542 38.460 0.079 0.000 0.960 464 Y HN -0.092 nan 8.280 nan 0.000 0.486 465 V N 1.139 121.059 119.914 0.009 0.000 2.233 465 V HA -0.442 3.678 4.120 -0.000 0.000 0.252 465 V C 2.468 178.549 176.094 -0.021 0.000 1.063 465 V CA 2.527 64.739 62.300 -0.147 0.000 1.032 465 V CB -0.933 30.829 31.823 -0.103 0.000 0.645 465 V HN 0.456 nan 8.190 nan 0.000 0.446 466 R N 0.078 120.603 120.500 0.042 0.000 2.080 466 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 466 R C 2.415 178.773 176.300 0.097 0.000 1.137 466 R CA 2.332 58.467 56.100 0.058 0.000 0.943 466 R CB -0.483 29.852 30.300 0.059 0.000 0.846 466 R HN 0.640 nan 8.270 nan 0.000 0.431 467 E N 0.137 120.420 120.200 0.139 0.000 2.110 467 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 467 E C 1.677 178.384 176.600 0.178 0.000 0.988 467 E CA 1.773 58.267 56.400 0.156 0.000 0.804 467 E CB -1.092 28.715 29.700 0.178 0.000 0.745 467 E HN 0.813 nan 8.360 nan 0.000 0.458 468 H N -0.605 118.522 119.070 0.095 0.000 2.422 468 H HA -0.020 4.536 4.556 -0.000 0.000 0.298 468 H C 2.220 177.557 175.328 0.013 0.000 1.098 468 H CA 1.312 57.386 56.048 0.043 0.000 1.315 468 H CB 0.096 29.738 29.762 -0.201 0.000 1.382 468 H HN 0.346 nan 8.280 nan 0.000 0.523 469 L N 0.802 122.138 121.223 0.187 0.000 2.109 469 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 469 L C 2.123 179.058 176.870 0.109 0.000 1.086 469 L CA 1.529 56.444 54.840 0.125 0.000 0.760 469 L CB -0.724 41.374 42.059 0.066 0.000 0.910 469 L HN 0.335 nan 8.230 nan 0.000 0.437 470 R N -0.510 120.055 120.500 0.108 0.000 2.276 470 R HA -0.131 4.209 4.340 -0.000 0.000 0.203 470 R C 1.574 177.948 176.300 0.123 0.000 1.017 470 R CA 0.578 56.743 56.100 0.109 0.000 1.010 470 R CB 0.376 30.740 30.300 0.107 0.000 0.900 470 R HN 0.302 nan 8.270 nan 0.000 0.469 471 E N -0.140 120.119 120.200 0.099 0.000 2.201 471 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 471 E C 1.595 178.240 176.600 0.074 0.000 0.957 471 E CA 0.520 56.968 56.400 0.081 0.000 0.858 471 E CB 0.070 29.771 29.700 0.002 0.000 0.816 471 E HN 0.182 nan 8.360 nan 0.000 0.475 472 Q N 0.522 120.362 119.800 0.068 0.000 2.226 472 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 472 Q C 1.860 177.908 176.000 0.081 0.000 0.975 472 Q CA 1.792 57.638 55.803 0.073 0.000 0.866 472 Q CB -0.044 28.756 28.738 0.103 0.000 0.915 472 Q HN 0.320 nan 8.270 nan 0.000 0.440 473 S N 0.089 115.847 115.700 0.097 0.000 2.383 473 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 473 S C 1.755 176.428 174.600 0.121 0.000 1.030 473 S CA 1.000 59.260 58.200 0.100 0.000 1.002 473 S CB -0.317 62.946 63.200 0.105 0.000 0.829 473 S HN 0.249 nan 8.310 nan 0.000 0.467 474 R N 2.434 123.031 120.500 0.162 0.000 2.343 474 R HA 0.288 4.628 4.340 -0.000 0.000 0.202 474 R C 0.892 177.264 176.300 0.119 0.000 1.023 474 R CA 0.669 56.898 56.100 0.216 0.000 1.084 474 R CB -1.406 29.108 30.300 0.356 0.000 0.956 474 R HN 0.675 nan 8.270 nan 0.000 0.478 475 K N 0.777 121.223 120.400 0.077 0.000 2.508 475 K HA -0.019 4.301 4.320 -0.000 0.000 0.273 475 K C -1.739 174.875 176.600 0.023 0.000 0.964 475 K CA -0.335 55.974 56.287 0.036 0.000 0.948 475 K CB -0.772 31.749 32.500 0.035 0.000 0.917 475 K HN -0.022 nan 8.250 nan 0.000 0.512 476 P HA -0.092 nan 4.420 nan 0.000 0.214 476 P C -1.473 175.821 177.300 -0.010 0.000 1.163 476 P CA 0.946 64.032 63.100 -0.023 0.000 0.889 476 P CB -0.978 30.693 31.700 -0.049 0.000 0.790 493 E N 2.897 123.108 120.200 0.017 0.000 2.359 493 E HA 0.654 5.004 4.350 -0.000 0.000 0.223 493 E C -1.215 175.374 176.600 -0.019 0.000 0.877 493 E CA -0.935 55.471 56.400 0.010 0.000 0.887 493 E CB 2.429 32.138 29.700 0.015 0.000 1.890 493 E HN 0.525 nan 8.360 nan 0.000 0.419 494 R N 0.757 121.225 120.500 -0.052 0.000 2.744 494 R HA 0.483 4.823 4.340 -0.000 0.000 0.279 494 R C -0.761 175.487 176.300 -0.088 0.000 0.977 494 R CA -0.657 55.379 56.100 -0.106 0.000 0.906 494 R CB 1.401 31.568 30.300 -0.221 0.000 1.197 494 R HN 0.455 nan 8.270 nan 0.000 0.463 495 I N 3.512 124.022 120.570 -0.100 0.000 2.428 495 I HA 0.174 4.344 4.170 -0.000 0.000 0.289 495 I C 0.074 176.109 176.117 -0.137 0.000 1.019 495 I CA -0.313 60.920 61.300 -0.112 0.000 1.351 495 I CB 0.928 38.851 38.000 -0.129 0.000 1.412 495 I HN 0.146 nan 8.210 nan 0.000 0.513 496 K N 4.625 124.944 120.400 -0.134 0.000 2.206 496 K HA 0.485 4.805 4.320 -0.000 0.000 0.264 496 K C -0.593 175.886 176.600 -0.201 0.000 0.967 496 K CA -0.540 55.658 56.287 -0.148 0.000 0.844 496 K CB 1.769 34.202 32.500 -0.111 0.000 1.099 496 K HN 0.467 nan 8.250 nan 0.000 0.441 497 T N 1.008 115.412 114.554 -0.250 0.000 2.855 497 T HA 0.234 4.584 4.350 -0.000 0.000 0.281 497 T C -0.041 174.488 174.700 -0.285 0.000 1.007 497 T CA -0.406 61.459 62.100 -0.392 0.000 1.009 497 T CB 1.713 70.260 68.868 -0.535 0.000 0.983 497 T HN 0.466 nan 8.240 nan 0.000 0.455 498 T N 0.840 115.243 114.554 -0.252 0.000 2.913 498 T HA 0.249 4.599 4.350 -0.000 0.000 0.287 498 T C 1.118 175.793 174.700 -0.042 0.000 1.008 498 T CA -0.565 61.478 62.100 -0.096 0.000 1.067 498 T CB 0.550 69.403 68.868 -0.025 0.000 0.996 498 T HN 0.457 nan 8.240 nan 0.000 0.513 499 S N 2.229 117.919 115.700 -0.015 0.000 2.548 499 S HA 0.149 4.619 4.470 -0.000 0.000 0.215 499 S C 0.793 175.442 174.600 0.082 0.000 0.976 499 S CA -0.203 58.000 58.200 0.005 0.000 0.908 499 S CB 0.296 63.490 63.200 -0.011 0.000 0.781 499 S HN 0.570 nan 8.310 nan 0.000 0.519 500 S N 2.158 117.933 115.700 0.125 0.000 2.543 500 S HA 0.349 4.819 4.470 -0.000 0.000 0.299 500 S C 0.742 175.542 174.600 0.334 0.000 1.125 500 S CA -0.435 57.867 58.200 0.169 0.000 1.098 500 S CB -0.163 63.103 63.200 0.110 0.000 1.063 500 S HN 0.194 nan 8.310 nan 0.000 0.493 501 I N 4.369 125.095 120.570 0.260 0.000 3.111 501 I HA -0.050 4.120 4.170 -0.000 0.000 0.272 501 I C 2.037 178.163 176.117 0.015 0.000 1.268 501 I CA 0.639 62.039 61.300 0.166 0.000 1.467 501 I CB -0.843 37.236 38.000 0.130 0.000 1.087 501 I HN 0.763 nan 8.210 nan 0.000 0.467 502 E N 1.223 121.488 120.200 0.109 0.000 2.113 502 E HA -0.355 3.995 4.350 -0.000 0.000 0.210 502 E C 2.247 178.845 176.600 -0.004 0.000 1.040 502 E CA 2.377 58.802 56.400 0.042 0.000 0.847 502 E CB -1.572 28.175 29.700 0.078 0.000 0.755 502 E HN 0.546 nan 8.360 nan 0.000 0.459 503 F N 1.069 120.985 119.950 -0.057 0.000 2.154 503 F HA -0.077 4.450 4.527 -0.000 0.000 0.301 503 F C 2.324 178.066 175.800 -0.096 0.000 1.087 503 F CA 1.019 58.980 58.000 -0.065 0.000 1.274 503 F CB -0.384 38.591 39.000 -0.041 0.000 1.009 503 F HN 0.119 nan 8.300 nan 0.000 0.485 504 A N 0.775 122.800 122.820 -1.325 0.000 2.072 504 A HA 0.088 4.408 4.320 -0.000 0.000 0.216 504 A C 2.258 179.506 177.584 -0.561 0.000 1.156 504 A CA 0.490 51.858 52.037 -1.115 0.000 0.701 504 A CB -0.529 17.547 19.000 -1.540 0.000 0.816 504 A HN 0.481 nan 8.150 nan 0.000 0.458 505 R N -0.558 119.700 120.500 -0.403 0.000 2.200 505 R HA 0.177 4.517 4.340 -0.000 0.000 0.208 505 R C 1.656 177.897 176.300 -0.098 0.000 1.033 505 R CA 0.555 56.511 56.100 -0.241 0.000 1.000 505 R CB -0.283 29.893 30.300 -0.205 0.000 0.906 505 R HN 0.443 nan 8.270 nan 0.000 0.462 506 L N 0.443 121.607 121.223 -0.099 0.000 2.007 506 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 506 L C 2.626 179.508 176.870 0.019 0.000 1.073 506 L CA 1.142 55.964 54.840 -0.029 0.000 0.744 506 L CB -0.521 41.515 42.059 -0.038 0.000 0.898 506 L HN 0.072 nan 8.230 nan 0.000 0.435 507 Q N 0.289 120.072 119.800 -0.029 0.000 2.065 507 Q HA -0.317 4.023 4.340 -0.000 0.000 0.213 507 Q C 1.996 178.041 176.000 0.075 0.000 1.012 507 Q CA 2.429 58.242 55.803 0.017 0.000 0.876 507 Q CB -0.840 27.864 28.738 -0.056 0.000 0.954 507 Q HN 0.382 nan 8.270 nan 0.000 0.413 508 F N 0.267 120.138 119.950 -0.131 0.000 2.027 508 F HA -0.313 4.214 4.527 -0.000 0.000 0.297 508 F C 2.140 177.851 175.800 -0.149 0.000 1.129 508 F CA 2.634 60.530 58.000 -0.173 0.000 1.195 508 F CB -0.942 37.889 39.000 -0.281 0.000 0.960 508 F HN 0.153 nan 8.300 nan 0.000 0.485 509 T N -0.338 114.343 114.554 0.212 0.000 2.699 509 T HA -0.328 4.022 4.350 -0.000 0.000 0.268 509 T C 1.540 176.266 174.700 0.044 0.000 1.036 509 T CA 1.937 64.106 62.100 0.115 0.000 1.147 509 T CB -0.958 67.980 68.868 0.117 0.000 0.862 509 T HN 0.563 nan 8.240 nan 0.000 0.446 510 Y N 2.270 122.542 120.300 -0.046 0.000 2.089 510 Y HA -0.228 4.322 4.550 -0.000 0.000 0.282 510 Y C 2.201 178.071 175.900 -0.050 0.000 1.139 510 Y CA 1.753 59.828 58.100 -0.042 0.000 1.123 510 Y CB -0.467 37.971 38.460 -0.036 0.000 0.980 510 Y HN 0.306 nan 8.280 nan 0.000 0.493 511 N N -0.983 117.691 118.700 -0.044 0.000 2.000 511 N HA -0.285 4.455 4.740 -0.000 0.000 0.198 511 N C 1.481 176.901 175.510 -0.150 0.000 1.057 511 N CA 1.609 54.578 53.050 -0.136 0.000 0.858 511 N CB -0.664 37.795 38.487 -0.046 0.000 1.057 511 N HN 0.330 nan 8.380 nan 0.000 0.423 512 H N 0.439 119.295 119.070 -0.356 0.000 2.368 512 H HA -0.136 4.420 4.556 -0.000 0.000 0.292 512 H C 2.018 177.226 175.328 -0.199 0.000 1.117 512 H CA 1.298 57.151 56.048 -0.324 0.000 1.231 512 H CB -0.407 29.070 29.762 -0.475 0.000 1.359 512 H HN 0.305 nan 8.280 nan 0.000 0.490 513 I N -0.295 120.227 120.570 -0.079 0.000 2.235 513 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 513 I C 2.704 178.745 176.117 -0.126 0.000 1.085 513 I CA 1.162 62.410 61.300 -0.087 0.000 1.378 513 I CB -0.366 37.577 38.000 -0.096 0.000 1.076 513 I HN 0.318 nan 8.210 nan 0.000 0.415 514 Q N 1.658 121.274 119.800 -0.307 0.000 1.998 514 Q HA -0.327 4.013 4.340 -0.000 0.000 0.209 514 Q C 2.386 178.270 176.000 -0.193 0.000 1.002 514 Q CA 2.225 57.816 55.803 -0.353 0.000 0.858 514 Q CB -0.287 28.080 28.738 -0.618 0.000 0.932 514 Q HN 0.320 nan 8.270 nan 0.000 0.416 515 R N -0.944 119.447 120.500 -0.181 0.000 2.115 515 R HA -0.288 4.052 4.340 -0.000 0.000 0.239 515 R C 2.469 178.719 176.300 -0.083 0.000 1.133 515 R CA 2.346 58.367 56.100 -0.132 0.000 0.935 515 R CB -0.630 29.576 30.300 -0.157 0.000 0.853 515 R HN 0.564 nan 8.270 nan 0.000 0.433 516 H N -0.410 118.573 119.070 -0.146 0.000 2.319 516 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 516 H C 1.927 177.201 175.328 -0.090 0.000 1.092 516 H CA 2.335 58.317 56.048 -0.109 0.000 1.302 516 H CB -0.197 29.505 29.762 -0.099 0.000 1.373 516 H HN 0.072 nan 8.280 nan 0.000 0.497 517 V N 1.014 120.918 119.914 -0.016 0.000 2.237 517 V HA -0.291 3.829 4.120 -0.000 0.000 0.245 517 V C 2.136 178.158 176.094 -0.120 0.000 1.046 517 V CA 2.099 64.360 62.300 -0.064 0.000 1.007 517 V CB -0.553 31.257 31.823 -0.023 0.000 0.638 517 V HN 0.573 nan 8.190 nan 0.000 0.445 518 N N 0.170 118.807 118.700 -0.105 0.000 2.149 518 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 518 N C 1.682 177.130 175.510 -0.102 0.000 1.019 518 N CA 1.629 54.624 53.050 -0.090 0.000 0.857 518 N CB -0.628 37.813 38.487 -0.077 0.000 0.997 518 N HN 0.524 nan 8.380 nan 0.000 0.426 519 D N 0.389 120.709 120.400 -0.133 0.000 2.092 519 D HA -0.140 4.500 4.640 -0.000 0.000 0.193 519 D C 1.783 177.992 176.300 -0.152 0.000 0.994 519 D CA 1.067 54.984 54.000 -0.138 0.000 0.828 519 D CB 0.091 40.789 40.800 -0.170 0.000 0.963 519 D HN 0.065 nan 8.370 nan 0.000 0.450 520 M N 0.057 119.523 119.600 -0.223 0.000 2.098 520 M HA -0.046 4.434 4.480 -0.000 0.000 0.262 520 M C 2.666 178.899 176.300 -0.111 0.000 1.072 520 M CA 0.710 55.898 55.300 -0.186 0.000 1.133 520 M CB -1.253 31.194 32.600 -0.254 0.000 1.344 520 M HN 0.082 nan 8.290 nan 0.000 0.414 521 L N -0.124 121.037 121.223 -0.105 0.000 2.349 521 L HA -0.147 4.193 4.340 -0.000 0.000 0.220 521 L C 2.479 179.312 176.870 -0.061 0.000 1.130 521 L CA 0.835 55.628 54.840 -0.078 0.000 0.791 521 L CB -1.144 40.868 42.059 -0.077 0.000 0.918 521 L HN 0.414 nan 8.230 nan 0.000 0.444 522 G N 0.077 108.841 108.800 -0.060 0.000 2.414 522 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 522 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 522 G C 1.694 176.580 174.900 -0.023 0.000 1.188 522 G CA 0.371 45.449 45.100 -0.038 0.000 0.783 522 G HN 0.291 nan 8.290 nan 0.000 0.537 523 R N -0.087 120.393 120.500 -0.033 0.000 2.083 523 R HA -0.056 4.284 4.340 -0.000 0.000 0.237 523 R C 2.617 178.921 176.300 0.007 0.000 1.137 523 R CA 1.292 57.383 56.100 -0.016 0.000 0.951 523 R CB -0.815 29.466 30.300 -0.030 0.000 0.851 523 R HN 0.274 nan 8.270 nan 0.000 0.434 524 V N 1.299 121.210 119.914 -0.004 0.000 2.392 524 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 524 V C 2.394 178.524 176.094 0.060 0.000 1.059 524 V CA 1.998 64.311 62.300 0.021 0.000 1.051 524 V CB -0.718 31.089 31.823 -0.025 0.000 0.658 524 V HN 0.451 nan 8.190 nan 0.000 0.455 525 A N -0.814 122.020 122.820 0.023 0.000 2.119 525 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 525 A C 2.094 179.748 177.584 0.117 0.000 1.153 525 A CA 1.262 53.327 52.037 0.047 0.000 0.692 525 A CB -0.351 18.649 19.000 0.001 0.000 0.799 525 A HN 0.552 nan 8.150 nan 0.000 0.458 526 I N -0.963 119.659 120.570 0.086 0.000 2.368 526 I HA -0.071 4.099 4.170 -0.000 0.000 0.238 526 I C 2.901 179.069 176.117 0.085 0.000 1.076 526 I CA 0.795 62.140 61.300 0.074 0.000 1.397 526 I CB -0.596 37.425 38.000 0.035 0.000 1.141 526 I HN 0.257 nan 8.210 nan 0.000 0.430 527 A N 1.075 123.938 122.820 0.071 0.000 1.986 527 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 527 A C 2.238 179.871 177.584 0.081 0.000 1.171 527 A CA 1.606 53.669 52.037 0.045 0.000 0.640 527 A CB -1.187 17.838 19.000 0.041 0.000 0.811 527 A HN 0.777 nan 8.150 nan 0.000 0.451 528 W N -0.316 120.969 121.300 -0.024 0.000 2.381 528 W HA -0.199 4.461 4.660 -0.000 0.000 0.301 528 W C 2.393 178.909 176.519 -0.004 0.000 1.205 528 W CA 1.544 58.881 57.345 -0.013 0.000 1.285 528 W CB -0.675 28.778 29.460 -0.011 0.000 1.133 528 W HN 0.433 nan 8.180 nan 0.000 0.521 529 c N 1.739 120.440 118.600 0.170 0.000 2.446 529 c HA -0.150 4.420 4.570 -0.000 0.000 0.277 529 c C 2.491 176.566 174.090 -0.025 0.000 1.275 529 c CA 1.800 58.167 56.329 0.063 0.000 1.727 529 c CB -1.102 41.474 42.510 0.110 0.000 2.010 529 c HN 0.385 nan 8.230 nan 0.000 0.486 530 E N -0.049 120.138 120.200 -0.022 0.000 2.118 530 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 530 E C 1.913 178.452 176.600 -0.102 0.000 0.992 530 E CA 1.392 57.760 56.400 -0.055 0.000 0.804 530 E CB -0.278 29.362 29.700 -0.100 0.000 0.741 530 E HN 0.639 nan 8.360 nan 0.000 0.458 531 L N 1.086 122.210 121.223 -0.165 0.000 2.072 531 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 531 L C 2.123 178.907 176.870 -0.144 0.000 1.079 531 L CA 1.568 56.297 54.840 -0.186 0.000 0.752 531 L CB -0.214 41.673 42.059 -0.287 0.000 0.906 531 L HN -0.017 nan 8.230 nan 0.000 0.436 532 Q N 0.068 119.725 119.800 -0.238 0.000 2.112 532 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 532 Q C 2.024 178.012 176.000 -0.020 0.000 0.987 532 Q CA 1.785 57.489 55.803 -0.165 0.000 0.858 532 Q CB -0.900 27.726 28.738 -0.187 0.000 0.905 532 Q HN 0.611 nan 8.270 nan 0.000 0.420 533 N N 0.131 118.845 118.700 0.024 0.000 2.080 533 N HA -0.125 4.615 4.740 -0.000 0.000 0.189 533 N C 1.753 177.342 175.510 0.131 0.000 1.036 533 N CA 1.134 54.235 53.050 0.085 0.000 0.846 533 N CB -0.686 37.867 38.487 0.110 0.000 1.015 533 N HN 0.381 nan 8.380 nan 0.000 0.423 534 H N 1.405 120.468 119.070 -0.012 0.000 2.422 534 H HA 0.003 4.559 4.556 -0.000 0.000 0.298 534 H C 1.807 177.139 175.328 0.007 0.000 1.098 534 H CA 1.035 57.080 56.048 -0.007 0.000 1.315 534 H CB 0.061 29.808 29.762 -0.025 0.000 1.382 534 H HN 0.245 nan 8.280 nan 0.000 0.523 535 E N 0.208 120.489 120.200 0.135 0.000 2.038 535 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 535 E C 2.379 179.125 176.600 0.243 0.000 1.000 535 E CA 0.735 57.217 56.400 0.136 0.000 0.803 535 E CB -0.689 29.124 29.700 0.189 0.000 0.750 535 E HN 0.299 nan 8.360 nan 0.000 0.448 536 L N 1.531 122.922 121.223 0.281 0.000 2.034 536 L HA -0.272 4.068 4.340 -0.000 0.000 0.217 536 L C 2.257 179.295 176.870 0.279 0.000 1.077 536 L CA 2.319 57.359 54.840 0.334 0.000 0.769 536 L CB -1.163 41.003 42.059 0.178 0.000 0.890 536 L HN 0.107 nan 8.230 nan 0.000 0.435 537 T N 0.118 114.750 114.554 0.129 0.000 2.592 537 T HA -0.309 4.041 4.350 -0.000 0.000 0.267 537 T C 1.897 176.633 174.700 0.060 0.000 1.060 537 T CA 2.360 64.498 62.100 0.064 0.000 1.167 537 T CB -0.578 68.278 68.868 -0.020 0.000 0.863 537 T HN 0.398 nan 8.240 nan 0.000 0.431 538 L N -1.176 120.040 121.223 -0.012 0.000 2.043 538 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 538 L C 2.545 179.358 176.870 -0.094 0.000 1.075 538 L CA 1.727 56.495 54.840 -0.120 0.000 0.752 538 L CB -0.714 41.182 42.059 -0.272 0.000 0.891 538 L HN 0.418 nan 8.230 nan 0.000 0.432 539 W N 0.415 121.755 121.300 0.066 0.000 2.358 539 W HA -0.171 4.489 4.660 -0.000 0.000 0.303 539 W C 2.608 179.251 176.519 0.206 0.000 1.208 539 W CA 0.767 58.192 57.345 0.134 0.000 1.274 539 W CB -0.515 29.016 29.460 0.118 0.000 1.138 539 W HN 0.178 nan 8.180 nan 0.000 0.515 540 N N 0.342 119.277 118.700 0.391 0.000 2.205 540 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 540 N C 1.365 176.941 175.510 0.110 0.000 1.015 540 N CA 1.510 54.688 53.050 0.214 0.000 0.862 540 N CB -0.542 38.026 38.487 0.134 0.000 0.986 540 N HN 0.267 nan 8.380 nan 0.000 0.429 541 E N 0.645 120.894 120.200 0.082 0.000 2.216 541 E HA 0.069 4.419 4.350 -0.000 0.000 0.192 541 E C 1.835 178.458 176.600 0.039 0.000 0.988 541 E CA 0.386 56.806 56.400 0.034 0.000 0.834 541 E CB -0.252 29.449 29.700 0.001 0.000 0.772 541 E HN 0.315 nan 8.360 nan 0.000 0.479 542 A N 2.528 125.388 122.820 0.067 0.000 1.897 542 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 542 A C 2.271 179.929 177.584 0.122 0.000 1.181 542 A CA 1.646 53.724 52.037 0.070 0.000 0.620 542 A CB -0.516 18.515 19.000 0.052 0.000 0.821 542 A HN 0.287 nan 8.150 nan 0.000 0.443 543 R N 0.069 120.677 120.500 0.180 0.000 2.091 543 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 543 R C 1.845 178.184 176.300 0.065 0.000 1.136 543 R CA 1.730 57.916 56.100 0.143 0.000 0.959 543 R CB -0.565 29.800 30.300 0.108 0.000 0.856 543 R HN 0.389 nan 8.270 nan 0.000 0.437 544 K N 0.698 121.122 120.400 0.040 0.000 2.160 544 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 544 K C 2.052 178.667 176.600 0.026 0.000 1.047 544 K CA 1.738 58.036 56.287 0.019 0.000 0.930 544 K CB -0.127 32.379 32.500 0.010 0.000 0.720 544 K HN 0.333 nan 8.250 nan 0.000 0.450 545 L N -0.641 120.603 121.223 0.034 0.000 2.354 545 L HA 0.053 4.393 4.340 -0.000 0.000 0.212 545 L C 1.005 177.899 176.870 0.039 0.000 1.091 545 L CA 0.262 55.120 54.840 0.030 0.000 0.828 545 L CB 0.088 42.160 42.059 0.021 0.000 0.973 545 L HN 0.105 nan 8.230 nan 0.000 0.461 546 N N -0.808 117.925 118.700 0.054 0.000 2.651 546 N HA 0.155 4.895 4.740 -0.000 0.000 0.277 546 N C -2.175 173.380 175.510 0.075 0.000 1.787 546 N CA -1.240 51.847 53.050 0.060 0.000 0.818 546 N CB 0.752 39.276 38.487 0.062 0.000 1.316 546 N HN -0.197 nan 8.380 nan 0.000 0.503 547 P HA -0.148 nan 4.420 nan 0.000 0.214 547 P C 1.150 178.489 177.300 0.066 0.000 1.172 547 P CA 1.420 64.560 63.100 0.066 0.000 0.925 547 P CB 0.367 32.092 31.700 0.041 0.000 0.793 548 N N -0.835 117.894 118.700 0.048 0.000 2.049 548 N HA -0.217 4.523 4.740 -0.000 0.000 0.198 548 N C 1.704 177.234 175.510 0.033 0.000 1.030 548 N CA 2.073 55.143 53.050 0.034 0.000 0.870 548 N CB -1.246 37.258 38.487 0.028 0.000 1.045 548 N HN 0.119 nan 8.380 nan 0.000 0.434 549 A N 0.274 123.123 122.820 0.049 0.000 1.855 549 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 549 A C 2.245 179.885 177.584 0.093 0.000 1.191 549 A CA 1.068 53.139 52.037 0.056 0.000 0.613 549 A CB -0.658 18.381 19.000 0.065 0.000 0.829 549 A HN 0.140 nan 8.150 nan 0.000 0.442 550 I N 0.372 121.028 120.570 0.144 0.000 2.179 550 I HA -0.222 3.948 4.170 -0.000 0.000 0.242 550 I C 2.913 179.123 176.117 0.154 0.000 1.088 550 I CA 1.300 62.738 61.300 0.230 0.000 1.357 550 I CB -0.761 37.435 38.000 0.326 0.000 1.051 550 I HN 0.328 nan 8.210 nan 0.000 0.409 551 A N -0.302 122.597 122.820 0.132 0.000 1.859 551 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 551 A C 2.490 180.092 177.584 0.030 0.000 1.198 551 A CA 2.584 54.679 52.037 0.098 0.000 0.629 551 A CB -1.281 17.766 19.000 0.078 0.000 0.830 551 A HN 0.416 nan 8.150 nan 0.000 0.446 552 S N -0.993 114.714 115.700 0.011 0.000 2.414 552 S HA -0.261 4.209 4.470 -0.000 0.000 0.238 552 S C 1.937 176.513 174.600 -0.039 0.000 1.055 552 S CA 1.818 59.999 58.200 -0.031 0.000 1.174 552 S CB -1.111 62.054 63.200 -0.058 0.000 1.087 552 S HN 0.585 nan 8.310 nan 0.000 0.428 553 V N 1.400 121.300 119.914 -0.023 0.000 2.332 553 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 553 V C 2.282 178.313 176.094 -0.106 0.000 1.055 553 V CA 2.569 64.848 62.300 -0.036 0.000 1.038 553 V CB -1.173 30.663 31.823 0.023 0.000 0.651 553 V HN 0.606 nan 8.190 nan 0.000 0.450 554 T N 0.051 114.507 114.554 -0.163 0.000 2.652 554 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 554 T C 1.800 176.396 174.700 -0.173 0.000 1.039 554 T CA 2.022 63.956 62.100 -0.276 0.000 1.153 554 T CB -0.329 68.329 68.868 -0.349 0.000 0.863 554 T HN 0.417 nan 8.240 nan 0.000 0.428 555 V N 0.306 120.162 119.914 -0.096 0.000 2.548 555 V HA 0.180 4.300 4.120 -0.000 0.000 0.249 555 V C 1.975 178.035 176.094 -0.056 0.000 1.055 555 V CA 1.188 63.451 62.300 -0.061 0.000 1.065 555 V CB -1.130 30.677 31.823 -0.026 0.000 0.681 555 V HN 0.766 nan 8.190 nan 0.000 0.462 556 G N 1.402 110.167 108.800 -0.058 0.000 2.167 556 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.194 556 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.194 556 G C 0.095 174.974 174.900 -0.035 0.000 1.027 556 G CA 0.023 45.096 45.100 -0.045 0.000 0.717 556 G HN 0.926 nan 8.290 nan 0.000 0.501 557 R N -1.799 118.674 120.500 -0.045 0.000 2.736 557 R HA 0.594 4.934 4.340 -0.000 0.000 0.250 557 R C -0.406 175.841 176.300 -0.089 0.000 1.098 557 R CA -1.251 54.820 56.100 -0.049 0.000 0.978 557 R CB 0.763 31.053 30.300 -0.017 0.000 1.263 557 R HN 0.015 nan 8.270 nan 0.000 0.460 558 R N 1.732 122.126 120.500 -0.178 0.000 2.504 558 R HA 0.181 4.521 4.340 -0.000 0.000 0.291 558 R C -0.004 176.212 176.300 -0.141 0.000 0.974 558 R CA 0.335 56.261 56.100 -0.290 0.000 1.077 558 R CB 0.599 30.422 30.300 -0.796 0.000 0.926 558 R HN 0.577 nan 8.270 nan 0.000 0.407 559 V N -0.925 118.933 119.914 -0.093 0.000 3.147 559 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 559 V C -0.338 175.750 176.094 -0.010 0.000 1.209 559 V CA -1.129 61.155 62.300 -0.026 0.000 1.023 559 V CB 2.344 34.164 31.823 -0.006 0.000 1.059 559 V HN 0.715 nan 8.190 nan 0.000 0.435 560 S N 1.751 117.461 115.700 0.016 0.000 2.457 560 S HA 0.916 5.386 4.470 -0.000 0.000 0.289 560 S C -0.051 174.565 174.600 0.026 0.000 1.163 560 S CA 0.083 58.298 58.200 0.026 0.000 1.078 560 S CB 1.017 64.241 63.200 0.040 0.000 0.987 560 S HN 2.137 nan 8.310 nan 0.000 0.482 561 A N 2.440 125.276 122.820 0.027 0.000 2.346 561 A HA 1.077 5.397 4.320 -0.000 0.000 0.313 561 A C 0.189 177.786 177.584 0.023 0.000 1.140 561 A CA -0.878 51.175 52.037 0.027 0.000 0.826 561 A CB 1.241 20.262 19.000 0.035 0.000 1.332 561 A HN 1.790 nan 8.150 nan 0.000 0.457 562 R N 0.763 121.271 120.500 0.014 0.000 2.579 562 R HA 0.588 4.928 4.340 -0.000 0.000 0.260 562 R C -1.303 174.993 176.300 -0.007 0.000 1.103 562 R CA -0.621 55.484 56.100 0.007 0.000 0.942 562 R CB 0.619 30.925 30.300 0.011 0.000 1.251 562 R HN 0.748 nan 8.270 nan 0.000 0.450 563 M N 3.467 123.058 119.600 -0.014 0.000 2.146 563 M HA 0.376 4.856 4.480 -0.000 0.000 0.352 563 M C -0.165 176.120 176.300 -0.025 0.000 1.343 563 M CA -0.873 54.408 55.300 -0.032 0.000 1.115 563 M CB 0.703 33.279 32.600 -0.039 0.000 1.657 563 M HN 0.618 nan 8.290 nan 0.000 0.471 564 L N 3.876 125.082 121.223 -0.029 0.000 2.657 564 L HA 0.359 4.699 4.340 -0.000 0.000 0.239 564 L C 1.212 178.066 176.870 -0.026 0.000 1.215 564 L CA -0.290 54.538 54.840 -0.022 0.000 1.161 564 L CB -0.526 41.523 42.059 -0.017 0.000 1.436 564 L HN 1.074 nan 8.230 nan 0.000 0.414 565 G N 1.217 110.001 108.800 -0.027 0.000 3.594 565 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.285 565 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.285 565 G C 0.472 175.347 174.900 -0.042 0.000 1.551 565 G CA 0.367 45.450 45.100 -0.028 0.000 1.061 565 G HN 0.460 nan 8.290 nan 0.000 0.624 566 D N 0.059 120.431 120.400 -0.048 0.000 2.474 566 D HA 0.450 5.090 4.640 -0.000 0.000 0.213 566 D C 0.590 176.835 176.300 -0.092 0.000 1.120 566 D CA 0.662 54.622 54.000 -0.067 0.000 0.836 566 D CB 1.519 42.289 40.800 -0.050 0.000 1.019 566 D HN 0.479 nan 8.370 nan 0.000 0.507 567 V N 0.743 120.612 119.914 -0.075 0.000 2.975 567 V HA 0.527 4.647 4.120 -0.000 0.000 0.318 567 V C -0.936 175.108 176.094 -0.084 0.000 1.077 567 V CA -0.769 61.482 62.300 -0.082 0.000 1.000 567 V CB 2.483 34.278 31.823 -0.047 0.000 1.066 567 V HN -0.069 nan 8.190 nan 0.000 0.452 568 M N 4.486 124.034 119.600 -0.086 0.000 2.125 568 M HA 0.696 5.176 4.480 -0.000 0.000 0.321 568 M C -0.225 176.060 176.300 -0.025 0.000 0.983 568 M CA -0.470 54.790 55.300 -0.067 0.000 0.934 568 M CB 1.253 33.793 32.600 -0.099 0.000 1.542 568 M HN 0.834 nan 8.290 nan 0.000 0.424 569 A N 4.128 126.939 122.820 -0.014 0.000 2.340 569 A HA 0.722 5.042 4.320 -0.000 0.000 0.268 569 A C -0.674 176.916 177.584 0.009 0.000 1.100 569 A CA -0.489 51.548 52.037 -0.000 0.000 0.803 569 A CB 0.448 19.448 19.000 0.001 0.000 1.043 569 A HN 0.875 nan 8.150 nan 0.000 0.488 570 V N -1.207 118.715 119.914 0.015 0.000 3.087 570 V HA 0.891 5.011 4.120 -0.000 0.000 0.306 570 V C -0.376 175.731 176.094 0.022 0.000 1.187 570 V CA -0.525 61.787 62.300 0.020 0.000 0.999 570 V CB 1.641 33.478 31.823 0.023 0.000 1.049 570 V HN 0.864 nan 8.190 nan 0.000 0.431 571 S N 0.886 116.601 115.700 0.026 0.000 2.614 571 S HA 0.606 5.076 4.470 -0.000 0.000 0.275 571 S C -0.162 174.460 174.600 0.036 0.000 1.161 571 S CA -0.537 57.681 58.200 0.030 0.000 0.969 571 S CB 1.945 65.166 63.200 0.034 0.000 1.059 571 S HN 1.036 nan 8.310 nan 0.000 0.482 572 T N 2.288 116.865 114.554 0.038 0.000 2.906 572 T HA 0.129 4.479 4.350 -0.000 0.000 0.320 572 T C 0.480 175.224 174.700 0.073 0.000 1.088 572 T CA 0.023 62.151 62.100 0.047 0.000 1.120 572 T CB 0.013 68.912 68.868 0.051 0.000 1.000 572 T HN 0.652 nan 8.240 nan 0.000 0.550 573 c N 2.026 120.682 118.600 0.092 0.000 2.362 573 c HA 0.595 5.165 4.570 -0.000 0.000 0.363 573 c C 0.478 174.707 174.090 0.232 0.000 1.220 573 c CA -0.718 55.707 56.329 0.160 0.000 2.379 573 c CB 0.795 43.403 42.510 0.163 0.000 2.351 573 c HN 0.637 nan 8.230 nan 0.000 0.582 574 V N 3.657 123.719 119.914 0.247 0.000 2.398 574 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 574 V C -2.222 173.965 176.094 0.154 0.000 1.026 574 V CA -1.313 61.122 62.300 0.224 0.000 0.868 574 V CB 1.534 33.524 31.823 0.278 0.000 0.982 574 V HN 0.751 nan 8.190 nan 0.000 0.443 575 P HA 0.252 nan 4.420 nan 0.000 0.271 575 P C -0.971 176.275 177.300 -0.090 0.000 1.216 575 P CA -0.042 62.929 63.100 -0.214 0.000 0.771 575 P CB 0.807 32.410 31.700 -0.162 0.000 0.864 576 V N 2.754 122.572 119.914 -0.161 0.000 2.482 576 V HA 0.489 4.609 4.120 -0.000 0.000 0.295 576 V C 0.233 176.314 176.094 -0.022 0.000 1.026 576 V CA -1.133 61.115 62.300 -0.087 0.000 0.856 576 V CB 1.417 33.099 31.823 -0.234 0.000 1.001 576 V HN 0.679 nan 8.190 nan 0.000 0.424 577 A N 3.758 126.578 122.820 0.000 0.000 2.567 577 A HA 0.463 4.783 4.320 -0.000 0.000 0.240 577 A C 1.672 179.294 177.584 0.063 0.000 1.053 577 A CA 0.683 52.734 52.037 0.023 0.000 0.755 577 A CB 0.293 19.303 19.000 0.016 0.000 0.978 577 A HN 1.530 nan 8.150 nan 0.000 0.507 578 A N 2.613 125.517 122.820 0.141 0.000 1.917 578 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 578 A C 1.692 179.297 177.584 0.036 0.000 1.182 578 A CA 2.186 54.358 52.037 0.226 0.000 0.633 578 A CB -0.724 18.388 19.000 0.186 0.000 0.819 578 A HN 0.996 nan 8.150 nan 0.000 0.448 579 D N -0.033 120.380 120.400 0.022 0.000 2.265 579 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 579 D C 0.723 177.018 176.300 -0.008 0.000 0.977 579 D CA 1.208 55.212 54.000 0.007 0.000 0.871 579 D CB -0.746 40.061 40.800 0.011 0.000 0.925 579 D HN 0.352 nan 8.370 nan 0.000 0.485 580 N N -0.065 118.624 118.700 -0.018 0.000 2.327 580 N HA 0.133 4.873 4.740 -0.000 0.000 0.231 580 N C -0.900 174.579 175.510 -0.050 0.000 1.130 580 N CA -0.024 53.014 53.050 -0.020 0.000 0.845 580 N CB 1.130 39.620 38.487 0.005 0.000 1.073 580 N HN 0.089 nan 8.380 nan 0.000 0.496 581 V N 0.950 120.794 119.914 -0.116 0.000 2.735 581 V HA 0.586 4.706 4.120 -0.000 0.000 0.310 581 V C -0.127 175.933 176.094 -0.056 0.000 1.061 581 V CA -0.714 61.468 62.300 -0.197 0.000 0.913 581 V CB 2.820 34.223 31.823 -0.700 0.000 1.005 581 V HN -0.069 nan 8.190 nan 0.000 0.428 582 I N 3.085 123.653 120.570 -0.003 0.000 2.692 582 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 582 I C -1.061 175.055 176.117 -0.001 0.000 1.200 582 I CA -0.801 60.521 61.300 0.036 0.000 1.036 582 I CB 2.446 40.442 38.000 -0.006 0.000 1.258 582 I HN 0.431 nan 8.210 nan 0.000 0.421 583 V N 5.928 125.809 119.914 -0.055 0.000 2.547 583 V HA 0.462 4.582 4.120 -0.000 0.000 0.299 583 V C -0.434 175.563 176.094 -0.162 0.000 1.040 583 V CA -0.345 61.860 62.300 -0.159 0.000 0.913 583 V CB 1.831 33.444 31.823 -0.349 0.000 0.992 583 V HN 0.632 nan 8.190 nan 0.000 0.449 584 Q N 4.537 124.270 119.800 -0.111 0.000 2.293 584 Q HA 0.191 4.531 4.340 -0.000 0.000 0.251 584 Q C 1.090 177.076 176.000 -0.023 0.000 0.930 584 Q CA -0.173 55.582 55.803 -0.080 0.000 0.893 584 Q CB 0.868 29.564 28.738 -0.070 0.000 1.215 584 Q HN 0.942 nan 8.270 nan 0.000 0.425 585 N N 0.551 119.216 118.700 -0.059 0.000 2.106 585 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 585 N C 0.316 175.866 175.510 0.067 0.000 1.029 585 N CA 0.655 53.674 53.050 -0.051 0.000 0.848 585 N CB 0.172 38.639 38.487 -0.033 0.000 1.007 585 N HN 0.301 nan 8.380 nan 0.000 0.423 586 S N -0.827 114.938 115.700 0.109 0.000 2.617 586 S HA 0.493 4.963 4.470 -0.000 0.000 0.283 586 S C 0.785 175.539 174.600 0.257 0.000 1.189 586 S CA -0.679 57.626 58.200 0.176 0.000 1.036 586 S CB 1.075 64.344 63.200 0.114 0.000 1.014 586 S HN 0.302 nan 8.310 nan 0.000 0.522 587 M N 2.150 121.959 119.600 0.347 0.000 2.279 587 M HA 0.191 4.671 4.480 -0.000 0.000 0.306 587 M C 0.426 176.975 176.300 0.415 0.000 0.965 587 M CA -0.173 55.362 55.300 0.392 0.000 1.038 587 M CB 0.333 33.198 32.600 0.441 0.000 1.636 587 M HN 0.577 nan 8.290 nan 0.000 0.574 588 R N 1.578 122.222 120.500 0.239 0.000 2.531 588 R HA 0.572 4.912 4.340 -0.000 0.000 0.273 588 R C -0.518 175.824 176.300 0.070 0.000 1.070 588 R CA -0.416 55.702 56.100 0.029 0.000 1.112 588 R CB 0.780 31.054 30.300 -0.043 0.000 1.049 588 R HN 0.113 nan 8.270 nan 0.000 0.508 589 I N 2.588 123.128 120.570 -0.049 0.000 2.301 589 I HA 0.050 4.220 4.170 -0.000 0.000 0.292 589 I C 0.816 176.921 176.117 -0.021 0.000 1.046 589 I CA -0.279 61.003 61.300 -0.029 0.000 1.282 589 I CB 1.624 39.538 38.000 -0.142 0.000 1.409 589 I HN 0.808 nan 8.210 nan 0.000 0.484 590 S N 3.784 119.494 115.700 0.016 0.000 2.353 590 S HA -0.199 4.270 4.470 -0.000 0.000 0.222 590 S C 2.186 176.781 174.600 -0.008 0.000 1.035 590 S CA 2.030 60.234 58.200 0.006 0.000 1.025 590 S CB -0.154 63.057 63.200 0.019 0.000 0.902 590 S HN 0.913 nan 8.310 nan 0.000 0.440 591 S N 1.452 117.149 115.700 -0.005 0.000 2.372 591 S HA -0.137 4.333 4.470 -0.000 0.000 0.227 591 S C 1.169 175.754 174.600 -0.024 0.000 1.044 591 S CA 1.364 59.557 58.200 -0.012 0.000 1.050 591 S CB -0.657 62.538 63.200 -0.009 0.000 0.901 591 S HN 0.620 nan 8.310 nan 0.000 0.447 592 R N 1.932 122.408 120.500 -0.040 0.000 2.371 592 R HA 0.753 5.093 4.340 -0.000 0.000 0.312 592 R C -3.203 173.057 176.300 -0.066 0.000 0.980 592 R CA -2.301 53.768 56.100 -0.050 0.000 0.867 592 R CB -0.154 30.111 30.300 -0.058 0.000 1.163 592 R HN 0.409 nan 8.270 nan 0.000 0.492 593 P HA 0.229 nan 4.420 nan 0.000 0.271 593 P C 1.135 178.387 177.300 -0.080 0.000 1.238 593 P CA 1.613 64.674 63.100 -0.065 0.000 0.794 593 P CB 0.896 32.569 31.700 -0.045 0.000 0.959 594 G N -0.935 107.808 108.800 -0.095 0.000 2.189 594 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.267 594 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.267 594 G C 0.266 175.087 174.900 -0.131 0.000 0.975 594 G CA 0.228 45.269 45.100 -0.098 0.000 0.644 594 G HN 0.871 nan 8.290 nan 0.000 0.537 595 A N -1.021 121.703 122.820 -0.161 0.000 2.343 595 A HA 0.804 5.124 4.320 -0.000 0.000 0.316 595 A C -0.026 177.390 177.584 -0.280 0.000 1.104 595 A CA 0.238 52.157 52.037 -0.198 0.000 0.768 595 A CB 1.706 20.605 19.000 -0.169 0.000 1.213 595 A HN 1.174 nan 8.150 nan 0.000 0.456 596 c N 0.140 118.540 118.600 -0.334 0.000 3.288 596 c HA 0.571 5.141 4.570 -0.000 0.000 0.318 596 c C -1.067 172.881 174.090 -0.237 0.000 1.356 596 c CA -0.954 55.156 56.329 -0.365 0.000 1.359 596 c CB 0.951 42.975 42.510 -0.809 0.000 1.688 596 c HN 0.808 nan 8.230 nan 0.000 0.467 597 Y N 1.267 121.590 120.300 0.039 0.000 2.335 597 Y HA 0.232 4.782 4.550 -0.000 0.000 0.331 597 Y C 1.866 177.858 175.900 0.154 0.000 1.094 597 Y CA 0.482 58.621 58.100 0.066 0.000 1.253 597 Y CB 1.027 39.497 38.460 0.017 0.000 1.203 597 Y HN 0.859 nan 8.280 nan 0.000 0.508 598 S N 2.602 118.439 115.700 0.229 0.000 2.399 598 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 598 S C 0.594 175.216 174.600 0.037 0.000 1.022 598 S CA 0.754 59.059 58.200 0.176 0.000 0.983 598 S CB 0.027 63.302 63.200 0.125 0.000 0.803 598 S HN 0.662 nan 8.310 nan 0.000 0.480 599 R N 0.707 121.147 120.500 -0.102 0.000 2.837 599 R HA 0.505 4.845 4.340 -0.000 0.000 0.271 599 R C -3.278 172.694 176.300 -0.546 0.000 0.993 599 R CA -2.625 53.143 56.100 -0.553 0.000 0.931 599 R CB 1.270 31.280 30.300 -0.483 0.000 1.206 599 R HN 0.054 nan 8.270 nan 0.000 0.474 600 P HA -0.017 nan 4.420 nan 0.000 0.265 600 P C -0.481 176.577 177.300 -0.404 0.000 1.193 600 P CA 0.299 62.982 63.100 -0.695 0.000 0.765 600 P CB 0.440 31.555 31.700 -0.975 0.000 0.823 601 L N 2.934 123.976 121.223 -0.302 0.000 2.464 601 L HA 0.438 4.778 4.340 -0.000 0.000 0.264 601 L C 0.703 177.459 176.870 -0.191 0.000 1.199 601 L CA -0.143 54.517 54.840 -0.300 0.000 0.818 601 L CB 0.412 42.260 42.059 -0.351 0.000 1.102 601 L HN 0.231 nan 8.230 nan 0.000 0.473 602 V N -1.704 118.127 119.914 -0.139 0.000 3.188 602 V HA 0.799 4.919 4.120 -0.000 0.000 0.305 602 V C -0.671 175.418 176.094 -0.008 0.000 1.232 602 V CA -0.537 61.722 62.300 -0.067 0.000 1.043 602 V CB 2.120 33.914 31.823 -0.047 0.000 1.068 602 V HN 0.687 nan 8.190 nan 0.000 0.439 603 S N 1.491 117.207 115.700 0.026 0.000 2.543 603 S HA 0.919 5.389 4.470 -0.000 0.000 0.271 603 S C -0.975 173.664 174.600 0.065 0.000 1.148 603 S CA -0.451 57.763 58.200 0.022 0.000 0.914 603 S CB 1.505 64.669 63.200 -0.061 0.000 1.096 603 S HN 1.481 nan 8.310 nan 0.000 0.471 604 F N 0.432 120.282 119.950 -0.166 0.000 2.950 604 F HA 0.899 5.426 4.527 -0.000 0.000 0.327 604 F C -1.087 174.600 175.800 -0.188 0.000 1.197 604 F CA -1.443 56.431 58.000 -0.209 0.000 0.954 604 F CB 1.245 40.062 39.000 -0.307 0.000 1.442 604 F HN 0.579 nan 8.300 nan 0.000 0.509 605 R N -0.168 120.270 120.500 -0.103 0.000 2.535 605 R HA 0.356 4.696 4.340 -0.000 0.000 0.274 605 R C -1.251 175.060 176.300 0.018 0.000 1.090 605 R CA -0.752 55.253 56.100 -0.159 0.000 0.930 605 R CB 0.816 31.071 30.300 -0.075 0.000 1.223 605 R HN 0.810 nan 8.270 nan 0.000 0.441 606 Y N 0.965 121.329 120.300 0.107 0.000 2.070 606 Y HA -0.091 4.459 4.550 -0.000 0.000 0.280 606 Y C 0.766 176.697 175.900 0.052 0.000 1.148 606 Y CA 1.187 59.354 58.100 0.112 0.000 1.125 606 Y CB 0.053 38.565 38.460 0.087 0.000 0.975 606 Y HN 0.426 nan 8.280 nan 0.000 0.492 607 E N 1.075 121.410 120.200 0.224 0.000 2.266 607 E HA 0.039 4.388 4.350 -0.000 0.000 0.277 607 E C 0.206 176.845 176.600 0.065 0.000 1.018 607 E CA -0.109 56.358 56.400 0.112 0.000 0.840 607 E CB 1.041 30.789 29.700 0.080 0.000 1.082 607 E HN 0.298 nan 8.360 nan 0.000 0.395 608 D N 1.158 121.584 120.400 0.043 0.000 2.182 608 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 608 D C 1.734 178.043 176.300 0.015 0.000 0.986 608 D CA 1.337 55.351 54.000 0.024 0.000 0.847 608 D CB 0.179 40.991 40.800 0.019 0.000 0.942 608 D HN 0.447 nan 8.370 nan 0.000 0.467 609 Q N 1.058 120.868 119.800 0.018 0.000 2.250 609 Q HA 0.047 4.387 4.340 -0.000 0.000 0.200 609 Q C 1.296 177.299 176.000 0.006 0.000 0.941 609 Q CA 0.746 56.554 55.803 0.009 0.000 0.872 609 Q CB -0.764 27.980 28.738 0.009 0.000 0.965 609 Q HN 0.138 nan 8.270 nan 0.000 0.480 610 G N 3.976 112.788 108.800 0.019 0.000 2.559 610 G HA2 0.225 4.185 3.960 -0.000 0.000 0.235 610 G HA3 0.225 4.185 3.960 -0.000 0.000 0.235 610 G C -2.211 172.684 174.900 -0.009 0.000 1.266 610 G CA -0.583 44.529 45.100 0.018 0.000 0.847 610 G HN 0.253 nan 8.290 nan 0.000 0.583 611 P HA 0.060 nan 4.420 nan 0.000 0.270 611 P C -0.434 176.805 177.300 -0.102 0.000 1.227 611 P CA -0.484 62.585 63.100 -0.051 0.000 0.788 611 P CB 0.842 32.516 31.700 -0.044 0.000 0.926 612 L N 1.981 123.128 121.223 -0.127 0.000 2.276 612 L HA 0.218 4.558 4.340 -0.000 0.000 0.286 612 L C -0.230 176.483 176.870 -0.261 0.000 1.061 612 L CA -0.372 54.345 54.840 -0.205 0.000 0.807 612 L CB 1.042 43.016 42.059 -0.141 0.000 1.177 612 L HN 0.071 nan 8.230 nan 0.000 0.429 613 V N 4.398 124.019 119.914 -0.489 0.000 2.644 613 V HA 0.356 4.476 4.120 -0.000 0.000 0.295 613 V C 0.091 176.001 176.094 -0.306 0.000 1.053 613 V CA -0.792 61.237 62.300 -0.451 0.000 0.987 613 V CB 1.548 32.950 31.823 -0.702 0.000 1.006 613 V HN 0.687 nan 8.190 nan 0.000 0.472 614 E N 1.850 121.971 120.200 -0.132 0.000 2.191 614 E HA 0.698 5.048 4.350 -0.000 0.000 0.278 614 E C 0.111 176.720 176.600 0.015 0.000 0.972 614 E CA -0.204 56.164 56.400 -0.053 0.000 0.804 614 E CB 2.093 31.763 29.700 -0.051 0.000 1.110 614 E HN 0.918 nan 8.360 nan 0.000 0.394 615 G N 1.588 110.407 108.800 0.031 0.000 2.554 615 G HA2 0.324 4.284 3.960 -0.000 0.000 0.306 615 G HA3 0.324 4.284 3.960 -0.000 0.000 0.306 615 G C -1.746 173.131 174.900 -0.038 0.000 1.320 615 G CA -0.744 44.378 45.100 0.037 0.000 0.800 615 G HN 0.473 nan 8.290 nan 0.000 0.481 616 Q N -0.956 118.815 119.800 -0.049 0.000 2.433 616 Q HA 0.752 5.092 4.340 -0.000 0.000 0.279 616 Q C -1.177 174.771 176.000 -0.085 0.000 1.105 616 Q CA -1.011 54.722 55.803 -0.116 0.000 0.815 616 Q CB 2.676 31.317 28.738 -0.162 0.000 1.403 616 Q HN 0.588 nan 8.270 nan 0.000 0.435 617 L N 1.716 122.859 121.223 -0.133 0.000 2.410 617 L HA 0.466 4.806 4.340 -0.000 0.000 0.273 617 L C 0.174 177.010 176.870 -0.058 0.000 1.152 617 L CA 0.870 55.662 54.840 -0.080 0.000 0.855 617 L CB 0.785 42.778 42.059 -0.111 0.000 1.129 617 L HN 0.888 nan 8.230 nan 0.000 0.463 618 G N 3.831 112.643 108.800 0.019 0.000 2.782 618 G HA2 0.379 4.339 3.960 -0.000 0.000 0.201 618 G HA3 0.379 4.339 3.960 -0.000 0.000 0.201 618 G C -0.757 174.199 174.900 0.093 0.000 1.374 618 G CA -0.565 44.562 45.100 0.045 0.000 1.039 618 G HN 0.641 nan 8.290 nan 0.000 0.576 619 E N 0.054 120.313 120.200 0.098 0.000 2.283 619 E HA 0.213 4.563 4.350 -0.000 0.000 0.271 619 E C -0.211 176.449 176.600 0.099 0.000 1.031 619 E CA -0.509 55.961 56.400 0.115 0.000 0.868 619 E CB 0.934 30.693 29.700 0.098 0.000 1.094 619 E HN 0.424 nan 8.360 nan 0.000 0.401 620 N N 2.368 121.125 118.700 0.095 0.000 2.727 620 N HA -0.238 4.502 4.740 -0.000 0.000 0.249 620 N C -0.827 174.713 175.510 0.051 0.000 1.048 620 N CA 0.878 53.958 53.050 0.051 0.000 0.714 620 N CB -1.304 37.200 38.487 0.028 0.000 0.959 620 N HN 0.684 nan 8.380 nan 0.000 0.544 621 N N -1.459 117.295 118.700 0.090 0.000 2.713 621 N HA -0.265 4.475 4.740 -0.000 0.000 0.251 621 N C -0.227 175.429 175.510 0.243 0.000 1.117 621 N CA 1.438 54.564 53.050 0.127 0.000 0.770 621 N CB -1.108 37.190 38.487 -0.315 0.000 1.137 621 N HN 0.874 nan 8.380 nan 0.000 0.566 622 E N 0.649 120.953 120.200 0.173 0.000 2.373 622 E HA 0.214 4.564 4.350 -0.000 0.000 0.267 622 E C -0.229 176.427 176.600 0.094 0.000 1.032 622 E CA -0.154 56.335 56.400 0.149 0.000 0.889 622 E CB 0.518 30.273 29.700 0.092 0.000 0.984 622 E HN 0.224 nan 8.360 nan 0.000 0.425 623 L N 5.311 126.536 121.223 0.003 0.000 2.265 623 L HA 0.438 4.778 4.340 -0.000 0.000 0.289 623 L C 0.198 177.036 176.870 -0.054 0.000 1.033 623 L CA -0.505 54.244 54.840 -0.150 0.000 0.814 623 L CB 1.146 42.862 42.059 -0.571 0.000 1.203 623 L HN 0.486 nan 8.230 nan 0.000 0.423 624 R N 3.083 123.579 120.500 -0.007 0.000 2.540 624 R HA 0.472 4.812 4.340 -0.000 0.000 0.287 624 R C 0.527 176.871 176.300 0.073 0.000 0.980 624 R CA -0.682 55.442 56.100 0.040 0.000 0.966 624 R CB 1.853 32.175 30.300 0.035 0.000 1.106 624 R HN 0.603 nan 8.270 nan 0.000 0.480 625 L N 0.304 121.581 121.223 0.089 0.000 2.286 625 L HA 0.075 4.415 4.340 -0.000 0.000 0.203 625 L C 0.988 177.903 176.870 0.075 0.000 1.068 625 L CA 0.499 55.402 54.840 0.105 0.000 0.811 625 L CB -0.040 42.087 42.059 0.113 0.000 0.989 625 L HN 0.703 nan 8.230 nan 0.000 0.467 626 T N -0.991 113.603 114.554 0.067 0.000 2.727 626 T HA 0.211 4.561 4.350 -0.000 0.000 0.295 626 T C 0.587 175.332 174.700 0.073 0.000 0.915 626 T CA -0.531 61.608 62.100 0.064 0.000 1.066 626 T CB 0.552 69.455 68.868 0.058 0.000 0.891 626 T HN 0.133 nan 8.240 nan 0.000 0.516 627 R N 2.387 122.939 120.500 0.087 0.000 4.054 627 R HA 0.083 4.423 4.340 -0.000 0.000 0.227 627 R C 0.432 176.874 176.300 0.236 0.000 1.902 627 R CA 0.142 56.326 56.100 0.140 0.000 1.590 627 R CB -0.360 30.007 30.300 0.111 0.000 1.245 627 R HN 0.815 nan 8.270 nan 0.000 0.647 628 D N -0.989 119.494 120.400 0.138 0.000 2.349 628 D HA -0.010 4.630 4.640 -0.000 0.000 0.214 628 D C 0.402 176.751 176.300 0.081 0.000 1.063 628 D CA -0.213 53.843 54.000 0.095 0.000 0.847 628 D CB 0.376 41.210 40.800 0.057 0.000 0.933 628 D HN 0.060 nan 8.370 nan 0.000 0.513 629 A N 1.635 124.523 122.820 0.114 0.000 2.639 629 A HA 0.428 4.748 4.320 -0.000 0.000 0.295 629 A C 0.529 178.176 177.584 0.105 0.000 1.443 629 A CA -0.414 51.681 52.037 0.096 0.000 1.117 629 A CB -1.214 17.838 19.000 0.086 0.000 1.098 629 A HN 0.551 nan 8.150 nan 0.000 0.552 630 I N -0.498 120.094 120.570 0.037 0.000 2.957 630 I HA 0.931 5.101 4.170 -0.000 0.000 0.310 630 I C -0.486 175.637 176.117 0.010 0.000 1.063 630 I CA -1.018 60.267 61.300 -0.026 0.000 1.033 630 I CB 2.423 40.349 38.000 -0.124 0.000 1.230 630 I HN 0.647 nan 8.210 nan 0.000 0.447 631 E N 2.408 122.612 120.200 0.007 0.000 2.381 631 E HA 0.495 4.845 4.350 -0.000 0.000 0.286 631 E C -3.092 173.512 176.600 0.007 0.000 0.960 631 E CA -1.933 54.493 56.400 0.044 0.000 0.793 631 E CB 1.651 31.424 29.700 0.122 0.000 1.225 631 E HN 0.307 nan 8.360 nan 0.000 0.420 632 P HA -0.040 nan 4.420 nan 0.000 0.265 632 P C -0.321 176.958 177.300 -0.035 0.000 1.187 632 P CA -0.246 62.830 63.100 -0.041 0.000 0.766 632 P CB 0.347 32.041 31.700 -0.011 0.000 0.820 633 c N 3.490 122.000 118.600 -0.149 0.000 2.662 633 c HA 0.111 4.681 4.570 -0.000 0.000 0.402 633 c C 1.207 175.330 174.090 0.055 0.000 1.397 633 c CA 0.135 56.341 56.329 -0.205 0.000 1.575 633 c CB -1.735 40.606 42.510 -0.282 0.000 2.406 633 c HN 0.567 nan 8.230 nan 0.000 0.609 634 T N 2.571 117.284 114.554 0.266 0.000 2.849 634 T HA 0.505 4.855 4.350 -0.000 0.000 0.276 634 T C 0.064 174.876 174.700 0.187 0.000 0.971 634 T CA -0.591 61.628 62.100 0.198 0.000 0.949 634 T CB 1.065 70.044 68.868 0.184 0.000 1.093 634 T HN 0.427 nan 8.240 nan 0.000 0.545 635 V N 0.276 120.259 119.914 0.114 0.000 2.628 635 V HA 0.606 4.726 4.120 -0.000 0.000 0.306 635 V C 1.055 177.189 176.094 0.068 0.000 1.045 635 V CA 0.380 62.733 62.300 0.089 0.000 0.905 635 V CB 1.168 33.027 31.823 0.059 0.000 0.997 635 V HN 1.217 nan 8.190 nan 0.000 0.436 636 G N 2.346 111.181 108.800 0.058 0.000 2.166 636 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.260 636 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.260 636 G C 0.302 175.222 174.900 0.033 0.000 0.986 636 G CA 1.080 46.205 45.100 0.041 0.000 0.683 636 G HN 1.839 nan 8.290 nan 0.000 0.527 637 H N 0.075 119.161 119.070 0.027 0.000 2.764 637 H HA 0.748 5.304 4.556 -0.000 0.000 0.341 637 H C 0.855 176.152 175.328 -0.051 0.000 1.072 637 H CA 0.708 56.747 56.048 -0.015 0.000 1.444 637 H CB 0.378 30.105 29.762 -0.058 0.000 1.458 637 H HN 0.848 nan 8.280 nan 0.000 0.572 638 R N 2.449 122.934 120.500 -0.026 0.000 2.686 638 R HA 0.760 5.100 4.340 -0.000 0.000 0.286 638 R C -0.967 175.300 176.300 -0.054 0.000 0.969 638 R CA -1.122 54.960 56.100 -0.030 0.000 0.898 638 R CB 2.092 32.487 30.300 0.159 0.000 1.183 638 R HN 0.561 nan 8.270 nan 0.000 0.456 639 R N 1.928 122.309 120.500 -0.198 0.000 2.604 639 R HA 0.345 4.685 4.340 -0.000 0.000 0.281 639 R C -1.480 174.526 176.300 -0.491 0.000 1.020 639 R CA -0.891 55.007 56.100 -0.338 0.000 0.899 639 R CB 1.645 31.717 30.300 -0.380 0.000 1.205 639 R HN 0.579 nan 8.270 nan 0.000 0.450 640 Y N 1.783 121.776 120.300 -0.511 0.000 2.409 640 Y HA 0.621 5.171 4.550 -0.000 0.000 0.339 640 Y C -0.150 175.348 175.900 -0.671 0.000 1.033 640 Y CA -0.909 56.990 58.100 -0.335 0.000 1.094 640 Y CB 1.456 39.764 38.460 -0.252 0.000 1.210 640 Y HN 0.353 nan 8.280 nan 0.000 0.456 641 F N -0.110 120.061 119.950 0.369 0.000 2.561 641 F HA 0.387 4.914 4.527 -0.000 0.000 0.313 641 F C 0.031 176.069 175.800 0.398 0.000 1.126 641 F CA -1.304 56.869 58.000 0.289 0.000 0.918 641 F CB 1.778 40.823 39.000 0.076 0.000 1.199 641 F HN 0.333 nan 8.300 nan 0.000 0.444 642 T N 3.117 117.962 114.554 0.485 0.000 2.891 642 T HA 0.078 4.428 4.350 -0.000 0.000 0.296 642 T C -0.976 173.924 174.700 0.332 0.000 1.025 642 T CA 0.811 63.030 62.100 0.197 0.000 1.149 642 T CB -0.129 68.801 68.868 0.104 0.000 1.007 642 T HN 0.432 nan 8.240 nan 0.000 0.528 643 F N 2.419 122.380 119.950 0.019 0.000 3.240 643 F HA 0.474 5.001 4.527 -0.000 0.000 0.370 643 F C 0.532 176.369 175.800 0.061 0.000 1.271 643 F CA 0.383 58.465 58.000 0.137 0.000 1.224 643 F CB 0.230 39.370 39.000 0.235 0.000 1.624 643 F HN 0.888 nan 8.300 nan 0.000 0.658 644 G N 3.900 112.425 108.800 -0.458 0.000 2.557 644 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.292 644 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.292 644 G C 0.986 175.688 174.900 -0.329 0.000 1.162 644 G CA 0.156 44.955 45.100 -0.502 0.000 0.964 644 G HN 1.676 nan 8.290 nan 0.000 0.541 645 G N 0.788 109.469 108.800 -0.198 0.000 3.277 645 G HA2 0.666 4.626 3.960 -0.000 0.000 0.243 645 G HA3 0.666 4.626 3.960 -0.000 0.000 0.243 645 G C 0.620 175.443 174.900 -0.128 0.000 1.107 645 G CA 1.517 46.529 45.100 -0.145 0.000 0.771 645 G HN 1.804 nan 8.290 nan 0.000 0.544 646 G N -0.742 107.977 108.800 -0.135 0.000 2.933 646 G HA2 0.523 4.483 3.960 -0.000 0.000 0.203 646 G HA3 0.523 4.483 3.960 -0.000 0.000 0.203 646 G C -1.780 172.965 174.900 -0.258 0.000 1.170 646 G CA -0.765 44.245 45.100 -0.149 0.000 0.880 646 G HN 0.023 nan 8.290 nan 0.000 0.573 647 Y N -1.215 119.230 120.300 0.242 0.000 2.462 647 Y HA 0.623 5.173 4.550 -0.000 0.000 0.346 647 Y C -0.137 175.978 175.900 0.360 0.000 0.976 647 Y CA -0.781 57.499 58.100 0.300 0.000 1.044 647 Y CB 2.618 41.223 38.460 0.243 0.000 1.230 647 Y HN 0.305 nan 8.280 nan 0.000 0.455 648 V N 4.124 124.373 119.914 0.558 0.000 2.439 648 V HA 0.259 4.379 4.120 -0.000 0.000 0.282 648 V C -1.313 175.087 176.094 0.509 0.000 1.039 648 V CA -0.589 61.994 62.300 0.472 0.000 0.913 648 V CB 0.968 32.931 31.823 0.234 0.000 0.983 648 V HN 0.654 nan 8.190 nan 0.000 0.460 649 Y N 6.800 127.199 120.300 0.165 0.000 2.352 649 Y HA 0.691 5.241 4.550 -0.000 0.000 0.339 649 Y C -1.144 174.810 175.900 0.090 0.000 0.992 649 Y CA -1.506 56.538 58.100 -0.094 0.000 1.100 649 Y CB 1.377 39.486 38.460 -0.585 0.000 1.192 649 Y HN 0.503 nan 8.280 nan 0.000 0.458 650 F N 3.449 122.906 119.950 -0.822 0.000 2.532 650 F HA 0.476 5.003 4.527 -0.000 0.000 0.321 650 F C -0.424 174.787 175.800 -0.982 0.000 1.089 650 F CA -1.260 56.345 58.000 -0.659 0.000 0.926 650 F CB 2.139 41.050 39.000 -0.148 0.000 1.168 650 F HN 0.463 nan 8.300 nan 0.000 0.459 651 E N 1.303 121.179 120.200 -0.540 0.000 2.235 651 E HA 0.489 4.839 4.350 -0.000 0.000 0.252 651 E C -0.452 176.061 176.600 -0.146 0.000 0.886 651 E CA 0.097 56.274 56.400 -0.371 0.000 0.767 651 E CB 1.095 30.603 29.700 -0.320 0.000 1.205 651 E HN 0.742 nan 8.360 nan 0.000 0.421 652 E N 2.985 123.134 120.200 -0.085 0.000 2.264 652 E HA -0.264 4.086 4.350 -0.000 0.000 0.223 652 E C -0.376 176.346 176.600 0.203 0.000 1.220 652 E CA 1.091 57.526 56.400 0.060 0.000 0.692 652 E CB -2.897 26.847 29.700 0.073 0.000 1.203 652 E HN 0.807 nan 8.360 nan 0.000 0.384 653 Y N -4.412 115.960 120.300 0.120 0.000 3.617 653 Y HA -0.135 4.415 4.550 -0.000 0.000 0.215 653 Y C 0.957 176.975 175.900 0.196 0.000 1.178 653 Y CA 1.924 60.144 58.100 0.200 0.000 1.517 653 Y CB -1.686 36.855 38.460 0.135 0.000 1.457 653 Y HN 1.861 nan 8.280 nan 0.000 0.615 654 A N -0.440 122.480 122.820 0.167 0.000 2.375 654 A HA 0.555 4.875 4.320 -0.000 0.000 0.295 654 A C -0.696 176.616 177.584 -0.453 0.000 1.066 654 A CA -0.851 51.159 52.037 -0.045 0.000 0.722 654 A CB 0.450 19.432 19.000 -0.031 0.000 1.206 654 A HN 0.262 nan 8.150 nan 0.000 0.435 655 Y N 2.533 122.234 120.300 -0.998 0.000 2.903 655 Y HA 0.167 4.717 4.550 -0.000 0.000 0.338 655 Y C 1.166 176.660 175.900 -0.675 0.000 1.265 655 Y CA 1.810 59.012 58.100 -1.498 0.000 1.532 655 Y CB 0.848 38.698 38.460 -1.017 0.000 1.293 655 Y HN 0.640 nan 8.280 nan 0.000 0.609 656 S N 2.502 117.382 115.700 -1.366 0.000 3.334 656 S HA 0.252 4.722 4.470 -0.000 0.000 0.224 656 S C -1.008 173.135 174.600 -0.763 0.000 0.959 656 S CA 0.550 58.283 58.200 -0.778 0.000 0.815 656 S CB -0.059 62.895 63.200 -0.409 0.000 0.861 656 S HN 0.966 nan 8.310 nan 0.000 0.596 657 H N -0.961 117.665 119.070 -0.741 0.000 2.887 657 H HA 0.638 5.194 4.556 -0.000 0.000 0.290 657 H C -1.551 173.821 175.328 0.073 0.000 1.429 657 H CA -1.076 54.788 56.048 -0.306 0.000 1.137 657 H CB 0.509 30.224 29.762 -0.079 0.000 1.824 657 H HN 0.169 nan 8.280 nan 0.000 0.520 658 Q N 0.344 120.297 119.800 0.254 0.000 2.399 658 Q HA 0.603 4.943 4.340 -0.000 0.000 0.276 658 Q C -1.331 174.850 176.000 0.302 0.000 1.098 658 Q CA -1.168 54.813 55.803 0.296 0.000 0.827 658 Q CB 2.909 31.885 28.738 0.396 0.000 1.386 658 Q HN 0.370 nan 8.270 nan 0.000 0.443 659 L N -0.032 121.373 121.223 0.303 0.000 2.250 659 L HA 0.596 4.936 4.340 -0.000 0.000 0.252 659 L C -0.334 176.695 176.870 0.264 0.000 1.054 659 L CA -0.626 54.382 54.840 0.280 0.000 0.856 659 L CB 1.897 44.123 42.059 0.279 0.000 1.443 659 L HN 0.769 nan 8.230 nan 0.000 0.427 660 S N -1.443 114.386 115.700 0.215 0.000 2.607 660 S HA 0.567 5.037 4.470 -0.000 0.000 0.303 660 S C 0.706 175.433 174.600 0.211 0.000 1.086 660 S CA -0.818 57.482 58.200 0.168 0.000 0.995 660 S CB 1.839 65.104 63.200 0.108 0.000 1.084 660 S HN 0.545 nan 8.310 nan 0.000 0.507 661 R N 0.785 121.390 120.500 0.174 0.000 2.133 661 R HA -0.173 4.167 4.340 -0.000 0.000 0.247 661 R C 2.454 178.840 176.300 0.145 0.000 1.151 661 R CA 1.557 57.796 56.100 0.231 0.000 0.971 661 R CB -1.194 29.186 30.300 0.133 0.000 0.866 661 R HN 0.832 nan 8.270 nan 0.000 0.447 662 A N 1.924 124.804 122.820 0.099 0.000 1.892 662 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 662 A C 1.575 179.194 177.584 0.058 0.000 1.188 662 A CA 2.140 54.217 52.037 0.067 0.000 0.631 662 A CB -0.601 18.433 19.000 0.057 0.000 0.822 662 A HN 0.213 nan 8.150 nan 0.000 0.447 663 D N -0.061 120.385 120.400 0.077 0.000 2.157 663 D HA -0.126 4.514 4.640 -0.000 0.000 0.191 663 D C 0.855 177.163 176.300 0.013 0.000 1.004 663 D CA 1.210 55.245 54.000 0.057 0.000 0.854 663 D CB -0.374 40.481 40.800 0.092 0.000 0.936 663 D HN 0.565 nan 8.370 nan 0.000 0.446 664 I N 0.727 121.296 120.570 -0.002 0.000 2.532 664 I HA 0.084 4.254 4.170 -0.000 0.000 0.292 664 I C 0.634 176.719 176.117 -0.053 0.000 1.014 664 I CA -0.663 60.589 61.300 -0.080 0.000 1.340 664 I CB 1.264 39.152 38.000 -0.187 0.000 1.422 664 I HN -0.090 nan 8.210 nan 0.000 0.528 665 T N 1.221 115.730 114.554 -0.076 0.000 2.867 665 T HA 0.131 4.481 4.350 -0.000 0.000 0.297 665 T C 0.085 174.751 174.700 -0.057 0.000 0.989 665 T CA -0.579 61.488 62.100 -0.055 0.000 1.159 665 T CB -0.006 68.825 68.868 -0.062 0.000 0.928 665 T HN 0.605 nan 8.240 nan 0.000 0.538 666 T N 4.322 118.858 114.554 -0.029 0.000 2.770 666 T HA 0.513 4.862 4.350 -0.000 0.000 0.297 666 T C 0.732 175.414 174.700 -0.031 0.000 0.997 666 T CA -0.796 61.290 62.100 -0.023 0.000 0.949 666 T CB 0.666 69.540 68.868 0.010 0.000 0.941 666 T HN 0.873 nan 8.240 nan 0.000 0.457 667 V N 1.172 121.053 119.914 -0.055 0.000 3.262 667 V HA 0.893 5.013 4.120 -0.000 0.000 0.313 667 V C 0.168 176.207 176.094 -0.092 0.000 1.070 667 V CA -0.710 61.554 62.300 -0.061 0.000 1.049 667 V CB 1.749 33.530 31.823 -0.070 0.000 1.157 667 V HN 0.728 nan 8.190 nan 0.000 0.454 668 S N -0.584 115.054 115.700 -0.103 0.000 2.536 668 S HA 0.552 5.022 4.470 -0.000 0.000 0.287 668 S C 0.576 175.041 174.600 -0.226 0.000 1.101 668 S CA 0.066 58.150 58.200 -0.194 0.000 0.950 668 S CB 1.777 64.942 63.200 -0.058 0.000 1.056 668 S HN 1.382 nan 8.310 nan 0.000 0.481 669 T N 1.291 115.589 114.554 -0.427 0.000 3.060 669 T HA 0.343 4.693 4.350 -0.000 0.000 0.249 669 T C 0.153 174.762 174.700 -0.152 0.000 1.079 669 T CA 0.005 61.934 62.100 -0.285 0.000 1.013 669 T CB -0.463 68.219 68.868 -0.310 0.000 0.975 669 T HN 0.372 nan 8.240 nan 0.000 0.518 670 F N 1.713 121.667 119.950 0.008 0.000 2.484 670 F HA 0.493 5.020 4.527 -0.000 0.000 0.360 670 F C 0.406 176.215 175.800 0.014 0.000 1.101 670 F CA -2.492 55.517 58.000 0.015 0.000 1.251 670 F CB 0.002 39.014 39.000 0.019 0.000 1.132 670 F HN -0.021 nan 8.300 nan 0.000 0.570 671 I N 3.945 124.649 120.570 0.223 0.000 2.315 671 I HA 0.168 4.338 4.170 -0.000 0.000 0.291 671 I C 0.272 176.455 176.117 0.109 0.000 1.006 671 I CA -0.416 60.961 61.300 0.128 0.000 1.265 671 I CB 0.287 38.342 38.000 0.093 0.000 1.387 671 I HN 0.423 nan 8.210 nan 0.000 0.475 672 D N 5.397 125.848 120.400 0.084 0.000 2.371 672 D HA 0.430 5.070 4.640 -0.000 0.000 0.242 672 D C -0.505 175.820 176.300 0.040 0.000 1.218 672 D CA 0.019 54.052 54.000 0.056 0.000 0.945 672 D CB 1.328 42.157 40.800 0.047 0.000 1.137 672 D HN 0.256 nan 8.370 nan 0.000 0.464 673 L N 1.587 122.824 121.223 0.023 0.000 2.847 673 L HA 0.156 4.496 4.340 -0.000 0.000 0.243 673 L C -1.825 175.047 176.870 0.004 0.000 0.978 673 L CA -0.448 54.402 54.840 0.017 0.000 1.030 673 L CB 0.596 42.669 42.059 0.022 0.000 1.351 673 L HN 0.099 nan 8.230 nan 0.000 0.512 674 N N 5.856 124.559 118.700 0.004 0.000 2.469 674 N HA 0.490 5.230 4.740 -0.000 0.000 0.239 674 N C -0.575 174.932 175.510 -0.004 0.000 1.053 674 N CA 0.015 53.064 53.050 -0.001 0.000 0.937 674 N CB 1.184 39.672 38.487 0.002 0.000 1.163 674 N HN 0.535 nan 8.380 nan 0.000 0.509 675 I N 0.876 121.440 120.570 -0.010 0.000 2.498 675 I HA 0.314 4.484 4.170 -0.000 0.000 0.301 675 I C 0.955 177.066 176.117 -0.010 0.000 0.984 675 I CA -0.623 60.670 61.300 -0.011 0.000 1.204 675 I CB 1.674 39.662 38.000 -0.019 0.000 1.362 675 I HN 0.332 nan 8.210 nan 0.000 0.471 676 T N 2.324 116.874 114.554 -0.007 0.000 2.926 676 T HA 0.651 5.001 4.350 -0.000 0.000 0.289 676 T C -0.394 174.303 174.700 -0.004 0.000 1.054 676 T CA -1.014 61.083 62.100 -0.005 0.000 1.015 676 T CB 1.759 70.626 68.868 -0.002 0.000 1.167 676 T HN 0.382 nan 8.240 nan 0.000 0.526 677 M N 1.423 121.022 119.600 -0.002 0.000 2.342 677 M HA 0.421 4.901 4.480 -0.000 0.000 0.332 677 M C -0.604 175.702 176.300 0.009 0.000 1.166 677 M CA -1.033 54.268 55.300 0.002 0.000 1.086 677 M CB 1.425 34.026 32.600 0.002 0.000 1.541 677 M HN 0.559 nan 8.290 nan 0.000 0.462 678 L N 3.712 124.944 121.223 0.014 0.000 2.385 678 L HA 0.148 4.488 4.340 -0.000 0.000 0.281 678 L C 0.304 177.195 176.870 0.035 0.000 1.106 678 L CA 0.127 54.981 54.840 0.023 0.000 0.856 678 L CB 0.016 42.090 42.059 0.026 0.000 1.186 678 L HN 0.628 nan 8.230 nan 0.000 0.453 679 E N 2.976 123.199 120.200 0.038 0.000 2.459 679 E HA -0.021 4.329 4.350 -0.000 0.000 0.264 679 E C -0.748 175.894 176.600 0.070 0.000 1.055 679 E CA -0.548 55.879 56.400 0.045 0.000 0.957 679 E CB 0.382 30.109 29.700 0.045 0.000 0.952 679 E HN 0.496 nan 8.360 nan 0.000 0.448 680 D N 0.849 121.283 120.400 0.057 0.000 2.400 680 D HA 0.113 4.753 4.640 -0.000 0.000 0.238 680 D C -0.568 175.791 176.300 0.099 0.000 1.157 680 D CA 0.703 54.745 54.000 0.071 0.000 0.889 680 D CB 0.504 41.324 40.800 0.033 0.000 1.199 680 D HN 0.509 nan 8.370 nan 0.000 0.436 681 H N -0.591 118.479 119.070 0.000 0.000 3.038 681 H HA 0.238 4.794 4.556 -0.000 0.000 0.362 681 H C -1.371 173.908 175.328 -0.081 0.000 1.167 681 H CA -0.594 55.404 56.048 -0.084 0.000 1.197 681 H CB 1.408 31.079 29.762 -0.151 0.000 1.840 681 H HN 0.222 nan 8.280 nan 0.000 0.540 682 E N 4.411 124.399 120.200 -0.355 0.000 2.145 682 E HA 0.220 4.570 4.350 -0.000 0.000 0.270 682 E C -1.136 175.372 176.600 -0.154 0.000 0.906 682 E CA -0.802 55.522 56.400 -0.127 0.000 0.761 682 E CB 0.761 30.378 29.700 -0.137 0.000 1.116 682 E HN 0.342 nan 8.360 nan 0.000 0.408 683 F N 3.984 123.999 119.950 0.109 0.000 2.404 683 F HA 0.157 4.684 4.527 -0.000 0.000 0.358 683 F C 0.385 176.212 175.800 0.046 0.000 1.120 683 F CA -0.740 57.321 58.000 0.101 0.000 1.144 683 F CB 1.014 40.067 39.000 0.089 0.000 1.133 683 F HN 0.157 nan 8.300 nan 0.000 0.495 684 V N 2.083 122.086 119.914 0.149 0.000 2.567 684 V HA 0.539 4.659 4.120 -0.000 0.000 0.289 684 V C -2.289 173.861 176.094 0.094 0.000 1.049 684 V CA -2.454 59.898 62.300 0.086 0.000 0.969 684 V CB 0.457 32.299 31.823 0.032 0.000 0.995 684 V HN 0.507 nan 8.190 nan 0.000 0.471 685 P HA 0.359 nan 4.420 nan 0.000 0.262 685 P C -0.936 176.390 177.300 0.043 0.000 1.199 685 P CA 0.186 63.318 63.100 0.054 0.000 0.763 685 P CB 0.323 32.047 31.700 0.039 0.000 0.790 686 L N 3.418 124.667 121.223 0.043 0.000 2.439 686 L HA 0.406 4.746 4.340 -0.000 0.000 0.270 686 L C -0.640 176.239 176.870 0.014 0.000 0.972 686 L CA -0.319 54.536 54.840 0.026 0.000 0.836 686 L CB 1.833 43.911 42.059 0.032 0.000 1.255 686 L HN 0.277 nan 8.230 nan 0.000 0.404 687 E N 3.132 123.331 120.200 -0.002 0.000 2.199 687 E HA 0.372 4.722 4.350 -0.000 0.000 0.269 687 E C 0.440 176.994 176.600 -0.076 0.000 0.899 687 E CA -0.731 55.663 56.400 -0.010 0.000 0.772 687 E CB 2.317 32.028 29.700 0.018 0.000 1.155 687 E HN 0.484 nan 8.360 nan 0.000 0.408 688 V N 2.158 122.003 119.914 -0.116 0.000 2.307 688 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 688 V C 0.097 175.836 176.094 -0.592 0.000 1.045 688 V CA 1.249 63.342 62.300 -0.346 0.000 1.024 688 V CB -0.459 31.187 31.823 -0.294 0.000 0.651 688 V HN 0.584 nan 8.190 nan 0.000 0.449 689 Y N -1.017 119.292 120.300 0.015 0.000 2.361 689 Y HA 0.449 4.999 4.550 -0.000 0.000 0.328 689 Y C 0.391 176.301 175.900 0.017 0.000 1.044 689 Y CA -0.818 57.288 58.100 0.010 0.000 1.085 689 Y CB 1.392 39.853 38.460 0.002 0.000 1.194 689 Y HN -0.170 nan 8.280 nan 0.000 0.438 690 T N 2.780 117.430 114.554 0.159 0.000 2.900 690 T HA 0.045 4.395 4.350 -0.000 0.000 0.307 690 T C 1.472 176.244 174.700 0.120 0.000 1.065 690 T CA -0.494 61.679 62.100 0.121 0.000 1.105 690 T CB 0.631 69.571 68.868 0.121 0.000 0.979 690 T HN 0.815 nan 8.240 nan 0.000 0.544 691 R N 1.333 121.896 120.500 0.105 0.000 2.127 691 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 691 R C 1.980 178.348 176.300 0.113 0.000 1.134 691 R CA 2.011 58.165 56.100 0.090 0.000 0.975 691 R CB -0.711 29.634 30.300 0.075 0.000 0.865 691 R HN 0.743 nan 8.270 nan 0.000 0.447 692 H N 1.152 120.243 119.070 0.035 0.000 2.353 692 H HA -0.032 4.524 4.556 -0.000 0.000 0.300 692 H C 1.509 176.856 175.328 0.031 0.000 1.090 692 H CA 2.164 58.229 56.048 0.028 0.000 1.327 692 H CB -0.067 29.711 29.762 0.027 0.000 1.383 692 H HN 0.474 nan 8.280 nan 0.000 0.508 693 E N 0.128 120.269 120.200 -0.099 0.000 2.058 693 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 693 E C 2.254 178.783 176.600 -0.118 0.000 0.997 693 E CA 1.230 57.550 56.400 -0.134 0.000 0.801 693 E CB 0.012 29.747 29.700 0.058 0.000 0.746 693 E HN 0.428 nan 8.360 nan 0.000 0.450 694 I N 1.458 121.998 120.570 -0.049 0.000 2.099 694 I HA -0.272 3.898 4.170 -0.000 0.000 0.239 694 I C 2.515 178.597 176.117 -0.058 0.000 1.066 694 I CA 1.431 62.695 61.300 -0.060 0.000 1.324 694 I CB -0.994 36.998 38.000 -0.013 0.000 1.037 694 I HN 0.048 nan 8.210 nan 0.000 0.401 695 K N 1.198 121.585 120.400 -0.022 0.000 2.034 695 K HA -0.275 4.045 4.320 -0.000 0.000 0.214 695 K C 1.629 178.208 176.600 -0.035 0.000 1.051 695 K CA 2.255 58.544 56.287 0.003 0.000 0.931 695 K CB -0.333 32.216 32.500 0.081 0.000 0.715 695 K HN 0.163 nan 8.250 nan 0.000 0.446 696 D N -0.959 119.372 120.400 -0.116 0.000 2.349 696 D HA 0.004 4.644 4.640 -0.000 0.000 0.224 696 D C 1.303 177.541 176.300 -0.104 0.000 1.029 696 D CA 0.722 54.644 54.000 -0.130 0.000 0.879 696 D CB 0.112 40.739 40.800 -0.289 0.000 0.906 696 D HN 0.367 nan 8.370 nan 0.000 0.528 697 S N -1.212 114.426 115.700 -0.102 0.000 2.387 697 S HA 0.035 4.505 4.470 -0.000 0.000 0.226 697 S C 1.603 176.164 174.600 -0.066 0.000 1.026 697 S CA 0.259 58.402 58.200 -0.094 0.000 0.972 697 S CB -0.695 62.432 63.200 -0.121 0.000 0.814 697 S HN 0.187 nan 8.310 nan 0.000 0.477 698 G N 2.236 111.006 108.800 -0.051 0.000 2.254 698 G HA2 0.329 4.289 3.960 -0.000 0.000 0.253 698 G HA3 0.329 4.289 3.960 -0.000 0.000 0.253 698 G C 0.554 175.440 174.900 -0.024 0.000 1.246 698 G CA -0.266 44.814 45.100 -0.033 0.000 0.946 698 G HN 0.309 nan 8.290 nan 0.000 0.474 699 L N 3.347 124.556 121.223 -0.024 0.000 1.970 699 L HA 0.090 4.430 4.340 -0.000 0.000 0.212 699 L C 1.249 178.116 176.870 -0.005 0.000 1.071 699 L CA 1.561 56.390 54.840 -0.018 0.000 0.751 699 L CB -0.414 41.633 42.059 -0.021 0.000 0.889 699 L HN 0.472 nan 8.230 nan 0.000 0.432 700 L N 0.430 121.655 121.223 0.003 0.000 2.313 700 L HA 0.282 4.622 4.340 -0.000 0.000 0.283 700 L C -0.941 175.953 176.870 0.040 0.000 1.013 700 L CA -0.673 54.178 54.840 0.019 0.000 0.816 700 L CB 1.414 43.487 42.059 0.023 0.000 1.236 700 L HN 0.066 nan 8.230 nan 0.000 0.419 701 D N 1.535 121.961 120.400 0.042 0.000 2.359 701 D HA 0.014 4.654 4.640 -0.000 0.000 0.230 701 D C 0.541 176.889 176.300 0.080 0.000 1.118 701 D CA -0.186 53.850 54.000 0.060 0.000 0.844 701 D CB 0.801 41.624 40.800 0.039 0.000 1.059 701 D HN 0.375 nan 8.370 nan 0.000 0.493 702 Y N 3.106 123.404 120.300 -0.002 0.000 2.556 702 Y HA -0.188 4.362 4.550 -0.000 0.000 0.290 702 Y C 1.390 177.292 175.900 0.004 0.000 1.149 702 Y CA 1.580 59.679 58.100 -0.001 0.000 1.329 702 Y CB 0.120 38.580 38.460 -0.001 0.000 0.975 702 Y HN 0.344 nan 8.280 nan 0.000 0.561 703 T N -0.747 113.761 114.554 -0.077 0.000 2.904 703 T HA -0.014 4.336 4.350 -0.000 0.000 0.243 703 T C 2.160 176.793 174.700 -0.112 0.000 1.024 703 T CA 1.275 63.293 62.100 -0.136 0.000 1.158 703 T CB -0.640 68.210 68.868 -0.031 0.000 0.867 703 T HN 0.422 nan 8.240 nan 0.000 0.429 704 E N 1.236 121.407 120.200 -0.048 0.000 2.187 704 E HA -0.169 4.181 4.350 -0.000 0.000 0.199 704 E C 2.284 178.859 176.600 -0.042 0.000 1.004 704 E CA 1.772 58.154 56.400 -0.030 0.000 0.813 704 E CB -1.355 28.344 29.700 -0.002 0.000 0.736 704 E HN 0.404 nan 8.360 nan 0.000 0.468 705 V N 0.451 120.328 119.914 -0.062 0.000 2.273 705 V HA -0.205 3.915 4.120 -0.000 0.000 0.242 705 V C 2.655 178.690 176.094 -0.097 0.000 1.035 705 V CA 1.529 63.794 62.300 -0.058 0.000 1.013 705 V CB -0.493 31.306 31.823 -0.039 0.000 0.652 705 V HN 0.456 nan 8.190 nan 0.000 0.452 706 Q N 0.080 119.756 119.800 -0.206 0.000 2.152 706 Q HA -0.232 4.108 4.340 -0.000 0.000 0.206 706 Q C 2.348 178.268 176.000 -0.132 0.000 0.985 706 Q CA 1.621 57.287 55.803 -0.228 0.000 0.863 706 Q CB -0.577 27.886 28.738 -0.459 0.000 0.904 706 Q HN 0.467 nan 8.270 nan 0.000 0.422 707 R N 0.783 121.214 120.500 -0.116 0.000 2.075 707 R HA -0.102 4.238 4.340 -0.000 0.000 0.230 707 R C 2.220 178.503 176.300 -0.029 0.000 1.140 707 R CA 1.450 57.511 56.100 -0.064 0.000 0.928 707 R CB -0.377 29.890 30.300 -0.054 0.000 0.834 707 R HN 0.167 nan 8.270 nan 0.000 0.429 708 R N 0.276 120.766 120.500 -0.016 0.000 2.096 708 R HA -0.151 4.189 4.340 -0.000 0.000 0.240 708 R C 1.958 178.288 176.300 0.049 0.000 1.139 708 R CA 1.936 58.048 56.100 0.020 0.000 0.952 708 R CB -0.294 30.023 30.300 0.029 0.000 0.854 708 R HN 0.301 nan 8.270 nan 0.000 0.436 709 N N 1.133 119.848 118.700 0.025 0.000 2.036 709 N HA -0.199 4.541 4.740 -0.000 0.000 0.195 709 N C 0.995 176.537 175.510 0.054 0.000 1.037 709 N CA 1.437 54.510 53.050 0.037 0.000 0.855 709 N CB -0.325 38.156 38.487 -0.010 0.000 1.033 709 N HN 0.419 nan 8.380 nan 0.000 0.423 710 Q N 0.004 119.815 119.800 0.019 0.000 2.307 710 Q HA 0.170 4.510 4.340 -0.000 0.000 0.216 710 Q C 0.745 176.766 176.000 0.036 0.000 0.931 710 Q CA 0.073 55.889 55.803 0.021 0.000 0.953 710 Q CB 0.159 28.892 28.738 -0.009 0.000 1.006 710 Q HN 0.376 nan 8.270 nan 0.000 0.472 711 L N -2.303 118.960 121.223 0.067 0.000 3.174 711 L HA 0.095 4.435 4.340 -0.000 0.000 0.283 711 L C 1.570 178.499 176.870 0.099 0.000 1.187 711 L CA -0.002 54.869 54.840 0.050 0.000 1.018 711 L CB 0.249 42.316 42.059 0.014 0.000 1.433 711 L HN 0.294 nan 8.230 nan 0.000 0.593 712 H N 1.102 120.226 119.070 0.091 0.000 2.289 712 H HA -0.240 4.316 4.556 -0.000 0.000 0.294 712 H C 1.614 177.064 175.328 0.203 0.000 1.095 712 H CA 2.650 58.818 56.048 0.199 0.000 1.256 712 H CB 0.359 30.200 29.762 0.132 0.000 1.359 712 H HN 0.242 nan 8.280 nan 0.000 0.487 713 D N 0.292 120.837 120.400 0.240 0.000 2.095 713 D HA -0.186 4.454 4.640 -0.000 0.000 0.192 713 D C 2.549 178.873 176.300 0.040 0.000 0.990 713 D CA 1.483 55.571 54.000 0.146 0.000 0.836 713 D CB -0.786 40.077 40.800 0.104 0.000 0.979 713 D HN 0.361 nan 8.370 nan 0.000 0.447 714 L N 0.268 121.492 121.223 0.002 0.000 2.103 714 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 714 L C 2.592 179.374 176.870 -0.147 0.000 1.080 714 L CA 1.383 56.190 54.840 -0.055 0.000 0.764 714 L CB -0.249 41.780 42.059 -0.049 0.000 0.890 714 L HN 0.016 nan 8.230 nan 0.000 0.435 715 R N -1.378 118.978 120.500 -0.240 0.000 2.119 715 R HA -0.008 4.332 4.340 -0.000 0.000 0.222 715 R C 0.974 176.754 176.300 -0.867 0.000 1.088 715 R CA 0.999 56.738 56.100 -0.601 0.000 0.984 715 R CB 0.119 29.948 30.300 -0.786 0.000 0.884 715 R HN 0.274 nan 8.270 nan 0.000 0.447 716 F N -1.151 118.711 119.950 -0.147 0.000 2.825 716 F HA 0.464 4.991 4.527 -0.000 0.000 0.322 716 F C 0.090 175.850 175.800 -0.067 0.000 1.127 716 F CA -0.544 57.372 58.000 -0.139 0.000 1.164 716 F CB 1.262 40.103 39.000 -0.264 0.000 1.101 716 F HN -0.102 nan 8.300 nan 0.000 0.529 717 A N -0.551 122.310 122.820 0.068 0.000 2.581 717 A HA 0.582 4.902 4.320 -0.000 0.000 0.290 717 A C -2.010 175.590 177.584 0.026 0.000 1.119 717 A CA -0.602 51.474 52.037 0.065 0.000 0.670 717 A CB 1.370 20.429 19.000 0.099 0.000 1.280 717 A HN -0.080 nan 8.150 nan 0.000 0.425 718 D N 0.581 120.996 120.400 0.026 0.000 2.408 718 D HA 0.465 5.105 4.640 -0.000 0.000 0.243 718 D C 0.711 177.021 176.300 0.017 0.000 1.075 718 D CA -0.220 53.788 54.000 0.013 0.000 0.832 718 D CB 1.264 42.069 40.800 0.009 0.000 1.162 718 D HN 0.603 nan 8.370 nan 0.000 0.515 719 I N 0.285 120.862 120.570 0.012 0.000 3.783 719 I HA 0.193 4.363 4.170 -0.000 0.000 0.310 719 I C 0.185 176.306 176.117 0.007 0.000 1.274 719 I CA 0.020 61.328 61.300 0.013 0.000 1.294 719 I CB 0.527 38.534 38.000 0.013 0.000 1.051 719 I HN 0.004 nan 8.210 nan 0.000 0.435 720 D N 1.305 121.707 120.400 0.003 0.000 2.369 720 D HA 0.040 4.680 4.640 -0.000 0.000 0.231 720 D C 0.794 177.095 176.300 0.002 0.000 0.967 720 D CA 0.684 54.684 54.000 0.001 0.000 0.905 720 D CB -0.272 40.526 40.800 -0.003 0.000 1.044 720 D HN 0.153 nan 8.370 nan 0.000 0.487 721 T N 1.647 116.202 114.554 0.002 0.000 2.867 721 T HA 0.154 4.504 4.350 -0.000 0.000 0.290 721 T C 0.171 174.873 174.700 0.003 0.000 1.025 721 T CA 0.331 62.433 62.100 0.002 0.000 1.146 721 T CB 0.586 69.456 68.868 0.004 0.000 1.024 721 T HN -0.240 nan 8.240 nan 0.000 0.519 722 V N 5.107 125.022 119.914 0.002 0.000 2.914 722 V HA 0.542 4.662 4.120 -0.000 0.000 0.314 722 V C -0.054 176.041 176.094 0.001 0.000 1.084 722 V CA -1.050 61.251 62.300 0.002 0.000 0.963 722 V CB 2.095 33.919 31.823 0.001 0.000 1.025 722 V HN 0.659 nan 8.190 nan 0.000 0.432 723 I N 0.000 120.571 120.570 0.001 0.000 2.984 723 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 723 I CA 0.000 61.300 61.300 0.001 0.000 1.566 723 I CB 0.000 38.000 38.000 0.000 0.000 1.214 723 I HN 0.000 nan 8.210 nan 0.000 0.494