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 3nwd_1_C DATA FIRST_RESID 104 DATA SEQUENCE IKAENTDANF YVcPPPTGAT VVQFEQPRRc PTRPEGQNYT EGIAVVFKEN DATA SEQUENCE IAPYKFKATM YYKDVTVSQV WFGHRSSQFM GIFEDRAPVP FEEVIDKINA DATA SEQUENCE KGVcRSTAKY VRNNLETTAF HRDDHETDME LKPANAATRT SRGWHTTDLK DATA SEQUENCE YNPSRVXXXH RYGTTVNcIV EEVDARSVYP YDEFVLATGD FVYMSPFYGY DATA SEQUENCE REGSHTEHTS YAADRFKQVD GFYARDLTTK ARATAPTTRN LLTTPKFTVA DATA SEQUENCE WDWVPKRPSV cTMTKWQEVD EMLRSEYGGS FRFSSDAIST TFTTNLTEYP DATA SEQUENCE LSRVDLGDcI GKDARDAMDR IFARRYNATH IKVGQPQYYL ANGGFLIAYQ DATA SEQUENCE PLLSNTLAEL YVREHLREQS RKXXXXXXXX XXXXXXXXVE RIKTTSSIEF DATA SEQUENCE ARLQFTYNHI QRHVNDMLGR VAIAWcELQN HELTLWNEAR KLNPNAIASV DATA SEQUENCE TVGRRVSARM LGDVMAVSTc VPVAADNVIV QNSMRISSRP GAcYSRPLVS DATA SEQUENCE FRYEDQGPLV EGQLGENNEL RLTRDAIEPc TVGHRRYFTF GGGYVYFEEY DATA SEQUENCE AYSHQLSRAD ITTVSTFIDL NITMLEDHEF VPLEVYTRHE IKDSGLLDYT DATA SEQUENCE EVQRRNQLHD LRFADIDTVI 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 104 I HA 0.000 nan 4.170 nan 0.000 0.288 104 I C 0.000 176.052 176.117 -0.109 0.000 1.063 104 I CA 0.000 61.170 61.300 -0.217 0.000 1.566 104 I CB 0.000 37.700 38.000 -0.500 0.000 1.214 105 K N 2.926 123.315 120.400 -0.018 0.000 4.564 105 K HA 0.903 5.259 4.320 0.060 0.000 0.234 105 K C -0.402 176.352 176.600 0.256 0.000 1.062 105 K CA -0.143 56.195 56.287 0.085 0.000 1.948 105 K CB 1.441 33.986 32.500 0.075 0.000 2.935 105 K HN 0.724 nan 8.250 nan 0.000 0.681 106 A N 1.184 124.166 122.820 0.270 0.000 2.402 106 A HA 0.222 4.579 4.320 0.060 0.000 0.291 106 A C -0.087 177.633 177.584 0.227 0.000 1.051 106 A CA -0.500 51.762 52.037 0.374 0.000 0.716 106 A CB 1.545 20.708 19.000 0.271 0.000 1.223 106 A HN 0.708 nan 8.150 nan 0.000 0.425 107 E N 2.454 122.806 120.200 0.253 0.000 2.021 107 E HA -0.070 4.316 4.350 0.060 0.000 0.189 107 E C 0.012 176.679 176.600 0.112 0.000 0.980 107 E CA 0.797 57.300 56.400 0.172 0.000 0.803 107 E CB -0.051 29.768 29.700 0.197 0.000 0.766 107 E HN 0.829 nan 8.360 nan 0.000 0.449 108 N N 0.544 119.303 118.700 0.099 0.000 2.405 108 N HA 0.005 4.781 4.740 0.060 0.000 0.260 108 N C -0.256 175.236 175.510 -0.030 0.000 1.152 108 N CA 0.037 53.103 53.050 0.026 0.000 0.948 108 N CB 1.304 39.795 38.487 0.006 0.000 1.111 108 N HN -0.025 nan 8.380 nan 0.000 0.485 109 T N 0.185 114.725 114.554 -0.024 0.000 3.092 109 T HA 0.060 4.446 4.350 0.060 0.000 0.258 109 T C -0.106 174.551 174.700 -0.071 0.000 1.031 109 T CA -0.162 61.914 62.100 -0.040 0.000 0.925 109 T CB 0.000 68.867 68.868 -0.002 0.000 1.036 109 T HN 0.349 nan 8.240 nan 0.000 0.544 110 D N 2.352 122.704 120.400 -0.080 0.000 3.060 110 D HA 0.533 5.209 4.640 0.060 0.000 0.245 110 D C 0.296 176.519 176.300 -0.128 0.000 1.274 110 D CA 0.067 54.017 54.000 -0.082 0.000 0.864 110 D CB 0.439 41.206 40.800 -0.055 0.000 1.073 110 D HN 0.532 nan 8.370 nan 0.000 0.473 111 A N 0.391 123.094 122.820 -0.194 0.000 2.535 111 A HA 0.691 5.048 4.320 0.060 0.000 0.296 111 A C -0.972 176.402 177.584 -0.351 0.000 1.248 111 A CA -0.678 51.191 52.037 -0.281 0.000 0.686 111 A CB 1.895 20.654 19.000 -0.402 0.000 1.315 111 A HN 0.088 nan 8.150 nan 0.000 0.460 112 N N -1.123 117.302 118.700 -0.458 0.000 2.308 112 N HA 0.675 5.451 4.740 0.060 0.000 0.283 112 N C -2.011 173.106 175.510 -0.654 0.000 1.105 112 N CA -0.294 52.474 53.050 -0.470 0.000 0.840 112 N CB 1.298 39.652 38.487 -0.222 0.000 1.633 112 N HN 0.403 nan 8.380 nan 0.000 0.476 113 F N 1.483 121.197 119.950 -0.394 0.000 2.483 113 F HA 0.574 5.138 4.527 0.061 0.000 0.329 113 F C -0.439 174.998 175.800 -0.606 0.000 1.064 113 F CA -0.441 57.365 58.000 -0.323 0.000 0.986 113 F CB 1.301 40.133 39.000 -0.279 0.000 1.218 113 F HN 0.297 nan 8.300 nan 0.000 0.484 114 Y N -0.053 120.288 120.300 0.069 0.000 2.504 114 Y HA 0.582 5.168 4.550 0.060 0.000 0.344 114 Y C -0.977 174.899 175.900 -0.040 0.000 1.023 114 Y CA -1.257 56.844 58.100 0.002 0.000 1.020 114 Y CB 2.019 40.485 38.460 0.010 0.000 1.282 114 Y HN 0.168 nan 8.280 nan 0.000 0.454 115 V N 2.224 122.203 119.914 0.109 0.000 2.334 115 V HA 0.237 4.393 4.120 0.060 0.000 0.281 115 V C -0.642 175.537 176.094 0.142 0.000 1.016 115 V CA -0.776 61.566 62.300 0.070 0.000 0.832 115 V CB 0.946 32.814 31.823 0.076 0.000 0.999 115 V HN 0.900 nan 8.190 nan 0.000 0.439 116 c N 8.600 127.270 118.600 0.117 0.000 2.168 116 c HA 0.371 4.977 4.570 0.060 0.000 0.333 116 c C -1.565 172.585 174.090 0.099 0.000 1.106 116 c CA -1.270 55.120 56.329 0.102 0.000 1.574 116 c CB -0.352 42.206 42.510 0.079 0.000 2.055 116 c HN 0.647 nan 8.230 nan 0.000 0.473 117 P HA 0.199 nan 4.420 nan 0.000 0.272 117 P C -2.652 174.685 177.300 0.062 0.000 1.230 117 P CA -1.321 61.831 63.100 0.087 0.000 0.788 117 P CB 0.029 31.775 31.700 0.077 0.000 0.949 118 P HA 0.240 nan 4.420 nan 0.000 0.276 118 P C -2.431 174.887 177.300 0.029 0.000 1.243 118 P CA -1.433 61.690 63.100 0.039 0.000 0.768 118 P CB -0.761 30.961 31.700 0.036 0.000 0.856 119 P HA 0.171 nan 4.420 nan 0.000 0.272 119 P C 0.026 177.333 177.300 0.011 0.000 1.248 119 P CA 0.385 63.494 63.100 0.015 0.000 0.799 119 P CB 0.372 32.077 31.700 0.008 0.000 0.997 120 T N -2.148 112.409 114.554 0.006 0.000 2.802 120 T HA 0.474 4.860 4.350 0.060 0.000 0.311 120 T C 1.200 175.900 174.700 -0.001 0.000 1.405 120 T CA -0.046 62.056 62.100 0.003 0.000 1.016 120 T CB 0.462 69.333 68.868 0.005 0.000 1.352 120 T HN 0.386 nan 8.240 nan 0.000 0.498 121 G N 0.921 109.720 108.800 -0.002 0.000 2.537 121 G HA2 0.009 4.006 3.960 0.060 0.000 0.220 121 G HA3 0.009 4.006 3.960 0.060 0.000 0.220 121 G C 1.694 176.592 174.900 -0.004 0.000 1.111 121 G CA 1.319 46.416 45.100 -0.005 0.000 0.748 121 G HN 1.135 nan 8.290 nan 0.000 0.564 122 A N 0.043 122.862 122.820 -0.002 0.000 1.903 122 A HA 0.055 4.411 4.320 0.060 0.000 0.219 122 A C 1.709 179.292 177.584 -0.002 0.000 1.191 122 A CA 2.150 54.186 52.037 -0.001 0.000 0.638 122 A CB -0.673 18.328 19.000 0.002 0.000 0.823 122 A HN 0.879 nan 8.150 nan 0.000 0.451 123 T N -2.690 111.862 114.554 -0.003 0.000 2.928 123 T HA 0.582 4.968 4.350 0.060 0.000 0.296 123 T C -0.810 173.883 174.700 -0.011 0.000 1.000 123 T CA -0.130 61.967 62.100 -0.005 0.000 0.989 123 T CB 1.230 70.097 68.868 -0.002 0.000 1.005 123 T HN 1.207 nan 8.240 nan 0.000 0.442 124 V N 0.920 120.825 119.914 -0.015 0.000 2.925 124 V HA 0.979 5.135 4.120 0.060 0.000 0.311 124 V C -0.017 176.060 176.094 -0.028 0.000 1.104 124 V CA -0.798 61.487 62.300 -0.026 0.000 0.954 124 V CB 1.086 32.893 31.823 -0.028 0.000 1.022 124 V HN 1.249 nan 8.190 nan 0.000 0.427 125 V N 1.355 121.242 119.914 -0.045 0.000 3.184 125 V HA 0.928 5.084 4.120 0.060 0.000 0.308 125 V C -0.783 175.273 176.094 -0.064 0.000 1.243 125 V CA -0.411 61.865 62.300 -0.040 0.000 1.058 125 V CB 1.679 33.483 31.823 -0.031 0.000 1.183 125 V HN 1.491 nan 8.190 nan 0.000 0.471 126 Q N -0.441 119.337 119.800 -0.038 0.000 2.386 126 Q HA 0.500 4.876 4.340 0.060 0.000 0.274 126 Q C -1.876 174.188 176.000 0.106 0.000 1.011 126 Q CA -0.693 55.090 55.803 -0.033 0.000 0.867 126 Q CB 1.967 30.703 28.738 -0.003 0.000 1.409 126 Q HN 0.708 nan 8.270 nan 0.000 0.395 127 F N 1.618 121.551 119.950 -0.027 0.000 2.438 127 F HA 0.147 4.711 4.527 0.061 0.000 0.356 127 F C 1.069 176.846 175.800 -0.039 0.000 1.099 127 F CA -0.643 57.331 58.000 -0.043 0.000 1.185 127 F CB 1.067 40.048 39.000 -0.033 0.000 1.115 127 F HN 0.665 nan 8.300 nan 0.000 0.526 128 E N 4.050 124.324 120.200 0.122 0.000 2.413 128 E HA -0.042 4.344 4.350 0.060 0.000 0.263 128 E C -0.339 176.273 176.600 0.021 0.000 1.015 128 E CA -0.712 55.710 56.400 0.038 0.000 0.916 128 E CB 0.734 30.426 29.700 -0.013 0.000 0.947 128 E HN 0.490 nan 8.360 nan 0.000 0.440 129 Q N 3.133 122.943 119.800 0.018 0.000 2.396 129 Q HA 0.278 4.654 4.340 0.060 0.000 0.221 129 Q C -2.077 173.913 176.000 -0.018 0.000 1.025 129 Q CA -1.848 53.959 55.803 0.006 0.000 0.946 129 Q CB -0.442 28.300 28.738 0.008 0.000 1.224 129 Q HN 0.479 nan 8.270 nan 0.000 0.539 130 P HA -0.019 nan 4.420 nan 0.000 0.267 130 P C -0.507 176.779 177.300 -0.022 0.000 1.195 130 P CA 0.501 63.578 63.100 -0.038 0.000 0.773 130 P CB 0.488 32.156 31.700 -0.055 0.000 0.837 131 R N 1.622 122.112 120.500 -0.016 0.000 2.540 131 R HA 0.376 4.752 4.340 0.060 0.000 0.287 131 R C 0.232 176.537 176.300 0.007 0.000 0.980 131 R CA -0.856 55.242 56.100 -0.002 0.000 0.966 131 R CB 1.038 31.340 30.300 0.004 0.000 1.106 131 R HN 0.364 nan 8.270 nan 0.000 0.480 132 R N 1.520 122.026 120.500 0.010 0.000 2.488 132 R HA 0.057 4.433 4.340 0.060 0.000 0.306 132 R C -0.209 176.104 176.300 0.023 0.000 1.271 132 R CA -0.139 55.969 56.100 0.014 0.000 1.022 132 R CB -0.437 29.869 30.300 0.011 0.000 1.054 132 R HN 0.481 nan 8.270 nan 0.000 0.500 133 c N 4.531 123.149 118.600 0.029 0.000 2.665 133 c HA 0.073 4.679 4.570 0.060 0.000 0.416 133 c C -1.013 173.097 174.090 0.034 0.000 1.305 133 c CA -1.028 55.325 56.329 0.040 0.000 1.903 133 c CB -0.326 42.213 42.510 0.048 0.000 2.704 133 c HN 0.606 nan 8.230 nan 0.000 0.629 134 P HA 0.206 nan 4.420 nan 0.000 0.273 134 P C -0.307 177.006 177.300 0.022 0.000 1.258 134 P CA 0.178 63.294 63.100 0.028 0.000 0.802 134 P CB 0.250 31.968 31.700 0.030 0.000 1.040 135 T N -2.920 111.644 114.554 0.015 0.000 2.893 135 T HA 0.489 4.875 4.350 0.060 0.000 0.293 135 T C -0.227 174.477 174.700 0.008 0.000 1.027 135 T CA -1.160 60.947 62.100 0.012 0.000 0.988 135 T CB 1.192 70.065 68.868 0.008 0.000 1.043 135 T HN 0.148 nan 8.240 nan 0.000 0.461 136 R N 2.289 122.792 120.500 0.006 0.000 2.537 136 R HA 0.316 4.692 4.340 0.060 0.000 0.280 136 R C -2.168 174.133 176.300 0.001 0.000 1.058 136 R CA -1.130 54.971 56.100 0.002 0.000 1.057 136 R CB -0.090 30.210 30.300 0.001 0.000 0.973 136 R HN 0.521 nan 8.270 nan 0.000 0.438 137 P HA -0.031 nan 4.420 nan 0.000 0.267 137 P C 0.277 177.577 177.300 0.000 0.000 1.200 137 P CA -0.122 62.978 63.100 0.001 0.000 0.772 137 P CB 0.583 32.286 31.700 0.006 0.000 0.855 138 E N 1.336 121.533 120.200 -0.004 0.000 2.396 138 E HA -0.044 4.342 4.350 0.060 0.000 0.200 138 E C 0.832 177.430 176.600 -0.002 0.000 1.023 138 E CA 1.148 57.546 56.400 -0.005 0.000 0.857 138 E CB -0.655 29.039 29.700 -0.011 0.000 0.775 138 E HN 0.803 nan 8.360 nan 0.000 0.525 139 G N 2.380 111.181 108.800 0.001 0.000 3.396 139 G HA2 -0.253 3.743 3.960 0.060 0.000 0.682 139 G HA3 -0.253 3.743 3.960 0.060 0.000 0.682 139 G C -0.284 174.607 174.900 -0.015 0.000 0.924 139 G CA 0.064 45.169 45.100 0.008 0.000 0.770 139 G HN 0.198 nan 8.290 nan 0.000 0.484 140 Q N 0.990 120.767 119.800 -0.038 0.000 2.386 140 Q HA 0.278 4.654 4.340 0.060 0.000 0.282 140 Q C 0.581 176.432 176.000 -0.248 0.000 1.050 140 Q CA 0.421 56.126 55.803 -0.164 0.000 0.918 140 Q CB 0.392 28.977 28.738 -0.257 0.000 1.266 140 Q HN 0.663 nan 8.270 nan 0.000 0.423 141 N N 3.023 121.549 118.700 -0.290 0.000 2.400 141 N HA 0.271 5.047 4.740 0.060 0.000 0.288 141 N C -1.260 174.047 175.510 -0.339 0.000 1.024 141 N CA -0.211 52.720 53.050 -0.199 0.000 0.894 141 N CB 0.828 39.266 38.487 -0.082 0.000 1.173 141 N HN 0.451 nan 8.380 nan 0.000 0.487 142 Y N -0.110 120.187 120.300 -0.005 0.000 2.420 142 Y HA 0.375 4.961 4.550 0.060 0.000 0.334 142 Y C 0.702 176.594 175.900 -0.013 0.000 1.094 142 Y CA -0.588 57.503 58.100 -0.015 0.000 1.126 142 Y CB 1.709 40.161 38.460 -0.014 0.000 1.217 142 Y HN 0.259 nan 8.280 nan 0.000 0.462 143 T N 2.508 117.143 114.554 0.135 0.000 2.794 143 T HA 0.297 4.683 4.350 0.060 0.000 0.280 143 T C -0.416 174.365 174.700 0.136 0.000 0.987 143 T CA -1.022 61.134 62.100 0.094 0.000 0.993 143 T CB 0.773 69.680 68.868 0.066 0.000 0.939 143 T HN 0.504 nan 8.240 nan 0.000 0.449 144 E N 0.914 121.145 120.200 0.053 0.000 2.374 144 E HA 0.588 4.974 4.350 0.060 0.000 0.260 144 E C 0.367 176.973 176.600 0.010 0.000 1.101 144 E CA -0.539 55.865 56.400 0.006 0.000 0.907 144 E CB 0.933 30.521 29.700 -0.185 0.000 1.014 144 E HN 0.858 nan 8.360 nan 0.000 0.427 145 G N 0.633 109.401 108.800 -0.054 0.000 2.361 145 G HA2 0.258 4.254 3.960 0.060 0.000 0.299 145 G HA3 0.258 4.254 3.960 0.060 0.000 0.299 145 G C -1.393 173.348 174.900 -0.264 0.000 1.544 145 G CA -0.990 43.886 45.100 -0.372 0.000 0.860 145 G HN 0.357 nan 8.290 nan 0.000 0.610 146 I N 1.262 121.643 120.570 -0.314 0.000 2.336 146 I HA 0.591 4.797 4.170 0.060 0.000 0.292 146 I C 0.700 176.758 176.117 -0.099 0.000 0.991 146 I CA -0.607 60.622 61.300 -0.118 0.000 1.227 146 I CB 1.622 39.595 38.000 -0.045 0.000 1.366 146 I HN 0.740 nan 8.210 nan 0.000 0.466 147 A N 6.382 129.242 122.820 0.066 0.000 2.337 147 A HA 0.868 5.225 4.320 0.060 0.000 0.331 147 A C -0.859 176.766 177.584 0.068 0.000 1.137 147 A CA -0.515 51.619 52.037 0.162 0.000 0.807 147 A CB 1.685 20.865 19.000 0.300 0.000 1.250 147 A HN 0.440 nan 8.150 nan 0.000 0.468 148 V N 2.107 122.073 119.914 0.087 0.000 2.524 148 V HA 0.378 4.534 4.120 0.060 0.000 0.297 148 V C -0.503 175.592 176.094 0.002 0.000 1.035 148 V CA -0.522 61.782 62.300 0.006 0.000 0.867 148 V CB 1.462 33.325 31.823 0.066 0.000 1.004 148 V HN 0.693 nan 8.190 nan 0.000 0.426 149 V N 5.057 124.894 119.914 -0.127 0.000 2.481 149 V HA 0.560 4.717 4.120 0.060 0.000 0.286 149 V C -0.579 175.483 176.094 -0.054 0.000 1.042 149 V CA -0.399 61.896 62.300 -0.009 0.000 0.928 149 V CB 1.397 33.235 31.823 0.025 0.000 0.986 149 V HN 0.643 nan 8.190 nan 0.000 0.462 150 F N 3.384 123.445 119.950 0.185 0.000 2.482 150 F HA 0.626 5.189 4.527 0.060 0.000 0.331 150 F C 0.270 176.161 175.800 0.150 0.000 1.115 150 F CA -0.789 57.313 58.000 0.170 0.000 0.955 150 F CB 1.895 40.942 39.000 0.079 0.000 1.136 150 F HN 0.475 nan 8.300 nan 0.000 0.452 151 K N 1.350 121.894 120.400 0.240 0.000 2.208 151 K HA 0.453 4.809 4.320 0.060 0.000 0.247 151 K C -0.510 176.081 176.600 -0.014 0.000 0.953 151 K CA -0.968 55.325 56.287 0.011 0.000 0.837 151 K CB 2.121 34.520 32.500 -0.169 0.000 1.131 151 K HN 0.655 nan 8.250 nan 0.000 0.431 152 E N 1.646 121.778 120.200 -0.114 0.000 2.502 152 E HA -0.155 4.231 4.350 0.060 0.000 0.261 152 E C -0.727 175.845 176.600 -0.047 0.000 0.974 152 E CA -0.089 56.257 56.400 -0.090 0.000 0.936 152 E CB 0.466 30.084 29.700 -0.138 0.000 0.926 152 E HN 0.547 nan 8.360 nan 0.000 0.459 153 N N 4.195 122.888 118.700 -0.010 0.000 2.430 153 N HA 0.056 4.833 4.740 0.060 0.000 0.265 153 N C 0.464 175.984 175.510 0.017 0.000 1.100 153 N CA -0.042 53.026 53.050 0.030 0.000 0.961 153 N CB 0.545 39.080 38.487 0.080 0.000 1.075 153 N HN 0.601 nan 8.380 nan 0.000 0.478 154 I N 0.700 121.281 120.570 0.018 0.000 4.035 154 I HA 0.489 4.695 4.170 0.060 0.000 0.321 154 I C 0.479 176.624 176.117 0.047 0.000 1.289 154 I CA -0.472 60.837 61.300 0.015 0.000 1.236 154 I CB 0.208 38.201 38.000 -0.011 0.000 1.076 154 I HN 0.346 nan 8.210 nan 0.000 0.418 155 A N 3.763 126.622 122.820 0.065 0.000 2.476 155 A HA 0.441 4.797 4.320 0.060 0.000 0.275 155 A C -2.207 175.457 177.584 0.134 0.000 1.133 155 A CA -0.869 51.215 52.037 0.079 0.000 0.797 155 A CB -0.957 18.088 19.000 0.076 0.000 1.081 155 A HN 0.203 nan 8.150 nan 0.000 0.510 156 P HA -0.025 nan 4.420 nan 0.000 0.270 156 P C -0.496 176.968 177.300 0.274 0.000 1.227 156 P CA 0.131 63.352 63.100 0.200 0.000 0.788 156 P CB 0.218 31.985 31.700 0.113 0.000 0.926 157 Y N 1.884 122.359 120.300 0.292 0.000 2.584 157 Y HA 0.178 4.763 4.550 0.059 0.000 0.351 157 Y C 0.186 176.195 175.900 0.181 0.000 1.030 157 Y CA 0.135 58.381 58.100 0.243 0.000 1.332 157 Y CB -0.182 38.450 38.460 0.286 0.000 1.148 157 Y HN 0.138 nan 8.280 nan 0.000 0.528 158 K N 7.133 127.381 120.400 -0.252 0.000 2.138 158 K HA 0.549 4.905 4.320 0.060 0.000 0.263 158 K C -1.185 175.205 176.600 -0.351 0.000 0.965 158 K CA -0.505 55.610 56.287 -0.287 0.000 0.868 158 K CB 1.300 33.695 32.500 -0.175 0.000 1.083 158 K HN 0.618 nan 8.250 nan 0.000 0.443 159 F N -1.265 118.427 119.950 -0.430 0.000 2.985 159 F HA 0.530 5.095 4.527 0.063 0.000 0.322 159 F C -1.572 174.095 175.800 -0.223 0.000 1.187 159 F CA -1.386 56.400 58.000 -0.358 0.000 0.910 159 F CB 1.046 39.770 39.000 -0.460 0.000 1.411 159 F HN -0.017 nan 8.300 nan 0.000 0.492 160 K N 1.351 121.801 120.400 0.082 0.000 2.244 160 K HA 0.832 5.188 4.320 0.060 0.000 0.260 160 K C -0.986 175.731 176.600 0.195 0.000 0.951 160 K CA -0.637 55.655 56.287 0.008 0.000 0.826 160 K CB 1.871 34.407 32.500 0.059 0.000 1.108 160 K HN 0.983 nan 8.250 nan 0.000 0.433 161 A N 1.640 124.493 122.820 0.054 0.000 2.530 161 A HA 0.783 5.139 4.320 0.060 0.000 0.288 161 A C -0.951 176.716 177.584 0.138 0.000 1.172 161 A CA -0.582 51.588 52.037 0.222 0.000 0.733 161 A CB 1.697 20.807 19.000 0.184 0.000 1.320 161 A HN 0.494 nan 8.150 nan 0.000 0.419 162 T N 1.584 116.261 114.554 0.206 0.000 2.841 162 T HA 0.540 4.926 4.350 0.060 0.000 0.285 162 T C -0.283 174.329 174.700 -0.147 0.000 0.991 162 T CA -0.185 61.921 62.100 0.010 0.000 0.966 162 T CB 0.925 69.809 68.868 0.027 0.000 0.962 162 T HN 0.553 nan 8.240 nan 0.000 0.438 163 M N 2.890 122.327 119.600 -0.273 0.000 2.342 163 M HA 0.496 5.012 4.480 0.060 0.000 0.332 163 M C -1.314 174.744 176.300 -0.404 0.000 1.166 163 M CA -0.489 54.701 55.300 -0.183 0.000 1.086 163 M CB 0.943 33.466 32.600 -0.128 0.000 1.541 163 M HN 0.607 nan 8.290 nan 0.000 0.462 164 Y N 2.324 122.785 120.300 0.269 0.000 2.331 164 Y HA 0.518 5.105 4.550 0.062 0.000 0.326 164 Y C -0.815 175.269 175.900 0.306 0.000 1.020 164 Y CA -0.952 57.268 58.100 0.200 0.000 1.136 164 Y CB 0.924 39.464 38.460 0.133 0.000 1.157 164 Y HN 0.654 nan 8.280 nan 0.000 0.444 165 Y N -0.641 119.750 120.300 0.153 0.000 2.788 165 Y HA 0.809 5.400 4.550 0.068 0.000 0.335 165 Y C -1.839 174.082 175.900 0.035 0.000 1.287 165 Y CA -1.811 56.342 58.100 0.089 0.000 1.068 165 Y CB 1.567 40.089 38.460 0.104 0.000 1.340 165 Y HN 0.284 nan 8.280 nan 0.000 0.449 166 K N 0.275 120.736 120.400 0.101 0.000 2.482 166 K HA 0.351 4.707 4.320 0.060 0.000 0.257 166 K C -1.983 174.661 176.600 0.074 0.000 0.969 166 K CA -1.082 55.202 56.287 -0.006 0.000 0.842 166 K CB 2.017 34.507 32.500 -0.016 0.000 1.359 166 K HN 0.598 nan 8.250 nan 0.000 0.441 167 D N 2.079 122.502 120.400 0.038 0.000 2.485 167 D HA 0.131 4.807 4.640 0.060 0.000 0.221 167 D C -0.617 175.696 176.300 0.023 0.000 1.112 167 D CA -0.245 53.779 54.000 0.041 0.000 0.911 167 D CB 1.202 42.028 40.800 0.044 0.000 1.019 167 D HN 0.072 nan 8.370 nan 0.000 0.516 168 V N 2.922 122.832 119.914 -0.006 0.000 2.352 168 V HA 0.135 4.292 4.120 0.060 0.000 0.253 168 V C 0.600 176.663 176.094 -0.053 0.000 1.083 168 V CA 0.254 62.577 62.300 0.037 0.000 0.993 168 V CB 0.302 32.204 31.823 0.132 0.000 1.111 168 V HN 0.343 nan 8.190 nan 0.000 0.490 169 T N 4.686 119.252 114.554 0.020 0.000 2.809 169 T HA 0.507 4.893 4.350 0.060 0.000 0.284 169 T C -0.592 174.178 174.700 0.117 0.000 0.992 169 T CA -0.327 61.769 62.100 -0.006 0.000 0.957 169 T CB 1.734 70.599 68.868 -0.006 0.000 0.942 169 T HN 0.418 nan 8.240 nan 0.000 0.439 170 V N 4.088 124.103 119.914 0.168 0.000 2.540 170 V HA 0.855 5.011 4.120 0.060 0.000 0.302 170 V C -0.720 175.505 176.094 0.218 0.000 1.035 170 V CA -0.523 61.911 62.300 0.224 0.000 0.873 170 V CB 1.871 33.840 31.823 0.242 0.000 0.992 170 V HN 0.979 nan 8.190 nan 0.000 0.428 171 S N 4.383 120.232 115.700 0.249 0.000 2.519 171 S HA 0.812 5.318 4.470 0.060 0.000 0.309 171 S C -0.309 174.524 174.600 0.388 0.000 1.100 171 S CA -0.081 58.301 58.200 0.303 0.000 1.059 171 S CB 1.552 64.977 63.200 0.375 0.000 1.008 171 S HN 1.604 nan 8.310 nan 0.000 0.478 172 Q N 1.689 121.725 119.800 0.394 0.000 2.288 172 Q HA 0.702 5.078 4.340 0.060 0.000 0.254 172 Q C -0.462 175.666 176.000 0.213 0.000 0.932 172 Q CA -0.732 55.327 55.803 0.427 0.000 0.902 172 Q CB 0.887 29.899 28.738 0.457 0.000 1.203 172 Q HN 1.018 nan 8.270 nan 0.000 0.415 173 V N 0.863 120.789 119.914 0.020 0.000 2.876 173 V HA 0.716 4.872 4.120 0.060 0.000 0.312 173 V C -1.253 174.692 176.094 -0.249 0.000 1.085 173 V CA -1.027 61.114 62.300 -0.266 0.000 0.945 173 V CB 2.072 33.528 31.823 -0.612 0.000 1.017 173 V HN 1.020 nan 8.190 nan 0.000 0.428 174 W N 3.834 124.828 121.300 -0.510 0.000 2.532 174 W HA 0.764 5.460 4.660 0.060 0.000 0.321 174 W C -1.480 174.732 176.519 -0.512 0.000 1.037 174 W CA -0.925 56.209 57.345 -0.351 0.000 1.220 174 W CB 1.582 30.946 29.460 -0.160 0.000 1.361 174 W HN 0.408 nan 8.180 nan 0.000 0.468 175 F N 5.264 124.768 119.950 -0.744 0.000 2.388 175 F HA 0.594 5.158 4.527 0.062 0.000 0.358 175 F C 0.984 176.134 175.800 -1.083 0.000 1.122 175 F CA -0.636 56.966 58.000 -0.662 0.000 1.056 175 F CB 1.000 39.730 39.000 -0.449 0.000 1.155 175 F HN 0.398 nan 8.300 nan 0.000 0.461 176 G N -0.466 107.980 108.800 -0.589 0.000 2.491 176 G HA2 0.458 4.455 3.960 0.060 0.000 0.327 176 G HA3 0.458 4.455 3.960 0.060 0.000 0.327 176 G C -0.658 174.155 174.900 -0.145 0.000 1.189 176 G CA -0.661 44.176 45.100 -0.439 0.000 0.956 176 G HN 0.976 nan 8.290 nan 0.000 0.491 177 H N -1.616 117.414 119.070 -0.067 0.000 3.248 177 H HA 0.560 5.152 4.556 0.060 0.000 0.258 177 H C 1.611 176.935 175.328 -0.007 0.000 0.923 177 H CA 1.250 57.278 56.048 -0.032 0.000 1.416 177 H CB -0.896 28.865 29.762 -0.002 0.000 1.523 177 H HN 2.175 nan 8.280 nan 0.000 0.528 178 R N 0.830 121.320 120.500 -0.016 0.000 3.531 178 R HA -0.007 4.369 4.340 0.060 0.000 0.280 178 R C 0.632 176.940 176.300 0.013 0.000 1.130 178 R CA 1.976 58.075 56.100 -0.001 0.000 0.757 178 R CB -2.499 27.803 30.300 0.003 0.000 1.218 178 R HN 2.297 nan 8.270 nan 0.000 0.454 179 S N -2.264 113.445 115.700 0.014 0.000 2.636 179 S HA 0.883 5.389 4.470 0.060 0.000 0.266 179 S C -0.916 173.687 174.600 0.006 0.000 1.147 179 S CA 0.458 58.674 58.200 0.025 0.000 0.815 179 S CB 1.812 65.046 63.200 0.055 0.000 1.119 179 S HN 1.362 nan 8.310 nan 0.000 0.470 180 S N 0.388 116.077 115.700 -0.019 0.000 2.688 180 S HA 0.784 5.290 4.470 0.060 0.000 0.275 180 S C -1.795 172.743 174.600 -0.104 0.000 1.175 180 S CA -0.733 57.380 58.200 -0.145 0.000 0.818 180 S CB 1.897 64.933 63.200 -0.272 0.000 1.157 180 S HN 0.825 nan 8.310 nan 0.000 0.482 181 Q N -0.096 119.564 119.800 -0.234 0.000 2.736 181 Q HA 0.365 4.741 4.340 0.060 0.000 0.273 181 Q C -2.117 173.734 176.000 -0.248 0.000 0.948 181 Q CA -0.484 55.240 55.803 -0.132 0.000 0.854 181 Q CB 0.762 29.528 28.738 0.047 0.000 1.569 181 Q HN 0.557 nan 8.270 nan 0.000 0.405 182 F N 3.801 123.733 119.950 -0.030 0.000 2.421 182 F HA 0.245 4.813 4.527 0.068 0.000 0.358 182 F C 1.489 177.295 175.800 0.010 0.000 1.115 182 F CA -0.044 57.945 58.000 -0.018 0.000 1.160 182 F CB 0.788 39.785 39.000 -0.005 0.000 1.123 182 F HN 0.563 nan 8.300 nan 0.000 0.508 183 M N 2.023 121.733 119.600 0.183 0.000 2.288 183 M HA 0.190 4.706 4.480 0.060 0.000 0.266 183 M C 0.956 177.344 176.300 0.146 0.000 1.072 183 M CA 0.607 55.987 55.300 0.134 0.000 1.132 183 M CB -0.292 32.388 32.600 0.134 0.000 1.386 183 M HN 0.672 nan 8.290 nan 0.000 0.432 184 G N 0.239 109.159 108.800 0.201 0.000 2.601 184 G HA2 0.651 4.647 3.960 0.060 0.000 0.291 184 G HA3 0.651 4.647 3.960 0.060 0.000 0.291 184 G C -1.726 173.277 174.900 0.171 0.000 1.456 184 G CA -0.615 44.578 45.100 0.156 0.000 0.804 184 G HN 0.124 nan 8.290 nan 0.000 0.499 185 I N -0.006 120.633 120.570 0.115 0.000 2.752 185 I HA 0.506 4.712 4.170 0.060 0.000 0.295 185 I C -1.814 174.405 176.117 0.169 0.000 1.219 185 I CA -0.721 60.636 61.300 0.096 0.000 1.030 185 I CB 2.831 40.802 38.000 -0.049 0.000 1.259 185 I HN 0.511 nan 8.210 nan 0.000 0.423 186 F N 5.525 125.481 119.950 0.010 0.000 2.612 186 F HA 0.492 5.055 4.527 0.061 0.000 0.332 186 F C -1.054 174.765 175.800 0.031 0.000 1.167 186 F CA -0.241 57.769 58.000 0.016 0.000 0.970 186 F CB 1.259 40.268 39.000 0.015 0.000 1.234 186 F HN 0.353 nan 8.300 nan 0.000 0.453 187 E N 4.423 124.297 120.200 -0.543 0.000 2.158 187 E HA 0.333 4.720 4.350 0.060 0.000 0.271 187 E C -1.539 174.652 176.600 -0.682 0.000 0.911 187 E CA -0.813 55.267 56.400 -0.533 0.000 0.767 187 E CB 1.971 31.536 29.700 -0.225 0.000 1.120 187 E HN 0.537 nan 8.360 nan 0.000 0.405 188 D N 1.405 121.445 120.400 -0.599 0.000 2.547 188 D HA 0.303 4.979 4.640 0.060 0.000 0.231 188 D C -1.297 174.911 176.300 -0.153 0.000 1.099 188 D CA -0.768 53.033 54.000 -0.331 0.000 0.901 188 D CB 1.442 42.115 40.800 -0.212 0.000 1.478 188 D HN 0.169 nan 8.370 nan 0.000 0.471 189 R N 1.268 121.706 120.500 -0.103 0.000 2.310 189 R HA 0.780 5.157 4.340 0.060 0.000 0.324 189 R C -1.244 174.929 176.300 -0.211 0.000 0.955 189 R CA -0.619 55.439 56.100 -0.070 0.000 0.830 189 R CB 1.251 31.521 30.300 -0.048 0.000 1.154 189 R HN 0.388 nan 8.270 nan 0.000 0.458 190 A N 5.871 128.521 122.820 -0.285 0.000 2.330 190 A HA 0.666 5.022 4.320 0.060 0.000 0.327 190 A C -2.548 174.928 177.584 -0.181 0.000 1.155 190 A CA -2.017 49.642 52.037 -0.632 0.000 0.803 190 A CB 1.215 19.607 19.000 -1.012 0.000 1.208 190 A HN 0.492 nan 8.150 nan 0.000 0.477 191 P HA 0.355 nan 4.420 nan 0.000 0.278 191 P C -0.695 176.600 177.300 -0.009 0.000 1.238 191 P CA -0.321 62.780 63.100 0.002 0.000 0.794 191 P CB 1.062 32.730 31.700 -0.054 0.000 0.955 192 V N 4.918 124.844 119.914 0.021 0.000 2.432 192 V HA 0.251 4.408 4.120 0.060 0.000 0.275 192 V C -1.996 174.001 176.094 -0.160 0.000 1.043 192 V CA -1.847 60.436 62.300 -0.028 0.000 0.925 192 V CB 0.712 32.549 31.823 0.023 0.000 0.985 192 V HN 0.544 nan 8.190 nan 0.000 0.466 193 P HA 0.104 nan 4.420 nan 0.000 0.267 193 P C 0.489 177.658 177.300 -0.218 0.000 1.200 193 P CA 0.037 63.008 63.100 -0.216 0.000 0.772 193 P CB 0.341 32.014 31.700 -0.045 0.000 0.855 194 F N 1.471 121.408 119.950 -0.022 0.000 2.091 194 F HA -0.282 4.282 4.527 0.062 0.000 0.299 194 F C 2.287 178.056 175.800 -0.051 0.000 1.103 194 F CA 1.942 59.908 58.000 -0.057 0.000 1.228 194 F CB -1.485 37.477 39.000 -0.062 0.000 0.984 194 F HN 0.374 nan 8.300 nan 0.000 0.477 195 E N 0.769 121.071 120.200 0.169 0.000 2.085 195 E HA -0.264 4.122 4.350 0.060 0.000 0.194 195 E C 1.832 178.456 176.600 0.040 0.000 0.994 195 E CA 1.772 58.226 56.400 0.089 0.000 0.801 195 E CB -0.955 28.793 29.700 0.080 0.000 0.743 195 E HN 0.620 nan 8.360 nan 0.000 0.453 196 E N 0.684 120.893 120.200 0.015 0.000 2.107 196 E HA -0.130 4.256 4.350 0.060 0.000 0.191 196 E C 1.972 178.554 176.600 -0.030 0.000 0.982 196 E CA 1.194 57.591 56.400 -0.006 0.000 0.809 196 E CB 0.122 29.815 29.700 -0.011 0.000 0.756 196 E HN 0.221 nan 8.360 nan 0.000 0.459 197 V N 1.677 121.550 119.914 -0.067 0.000 2.295 197 V HA -0.276 3.880 4.120 0.060 0.000 0.246 197 V C 2.404 178.466 176.094 -0.053 0.000 1.049 197 V CA 1.287 63.504 62.300 -0.138 0.000 1.024 197 V CB -0.424 31.236 31.823 -0.272 0.000 0.648 197 V HN 0.363 nan 8.190 nan 0.000 0.447 198 I N 0.316 120.890 120.570 0.007 0.000 2.133 198 I HA -0.151 4.055 4.170 0.060 0.000 0.238 198 I C 2.255 178.388 176.117 0.027 0.000 1.074 198 I CA 1.842 63.174 61.300 0.054 0.000 1.342 198 I CB -1.243 36.800 38.000 0.070 0.000 1.053 198 I HN 0.362 nan 8.210 nan 0.000 0.404 199 D N 0.697 121.106 120.400 0.016 0.000 2.146 199 D HA -0.071 4.605 4.640 0.060 0.000 0.209 199 D C 2.159 178.455 176.300 -0.006 0.000 0.973 199 D CA 0.854 54.857 54.000 0.004 0.000 0.860 199 D CB -0.126 40.679 40.800 0.009 0.000 1.015 199 D HN 0.172 nan 8.370 nan 0.000 0.465 200 K N 0.424 120.820 120.400 -0.006 0.000 2.155 200 K HA 0.058 4.415 4.320 0.060 0.000 0.203 200 K C 2.203 178.791 176.600 -0.020 0.000 1.052 200 K CA 0.494 56.775 56.287 -0.010 0.000 0.948 200 K CB 0.330 32.828 32.500 -0.004 0.000 0.728 200 K HN 0.279 nan 8.250 nan 0.000 0.448 201 I N -0.216 120.339 120.570 -0.024 0.000 3.341 201 I HA -0.088 4.118 4.170 0.060 0.000 0.243 201 I C 1.985 178.079 176.117 -0.039 0.000 1.094 201 I CA 0.309 61.591 61.300 -0.031 0.000 1.507 201 I CB -0.280 37.707 38.000 -0.022 0.000 1.441 201 I HN 0.012 nan 8.210 nan 0.000 0.465 202 N N 1.255 119.943 118.700 -0.019 0.000 2.364 202 N HA -0.108 4.668 4.740 0.060 0.000 0.183 202 N C 1.478 176.962 175.510 -0.043 0.000 1.022 202 N CA 1.396 54.441 53.050 -0.008 0.000 0.883 202 N CB 0.187 38.715 38.487 0.068 0.000 0.965 202 N HN 0.383 nan 8.380 nan 0.000 0.438 203 A N -0.268 122.529 122.820 -0.039 0.000 1.942 203 A HA 0.192 4.549 4.320 0.060 0.000 0.209 203 A C 1.750 179.303 177.584 -0.052 0.000 1.214 203 A CA 0.531 52.538 52.037 -0.049 0.000 0.686 203 A CB 0.210 19.188 19.000 -0.036 0.000 0.871 203 A HN 0.261 nan 8.150 nan 0.000 0.460 204 K N -1.321 119.052 120.400 -0.046 0.000 2.373 204 K HA 0.300 4.657 4.320 0.060 0.000 0.200 204 K C 0.737 177.303 176.600 -0.056 0.000 1.054 204 K CA 0.408 56.668 56.287 -0.045 0.000 1.065 204 K CB 0.628 33.108 32.500 -0.033 0.000 0.886 204 K HN 0.563 nan 8.250 nan 0.000 0.546 205 G N 2.338 111.094 108.800 -0.072 0.000 2.273 205 G HA2 -0.247 3.749 3.960 0.060 0.000 0.280 205 G HA3 -0.247 3.749 3.960 0.060 0.000 0.280 205 G C 0.136 174.987 174.900 -0.081 0.000 1.047 205 G CA 0.602 45.640 45.100 -0.104 0.000 0.869 205 G HN 0.252 nan 8.290 nan 0.000 0.502 206 V N -4.239 115.642 119.914 -0.055 0.000 3.119 206 V HA 0.936 5.092 4.120 0.060 0.000 0.311 206 V C 0.244 176.321 176.094 -0.028 0.000 1.259 206 V CA -0.867 61.409 62.300 -0.039 0.000 1.067 206 V CB 2.004 33.810 31.823 -0.028 0.000 1.123 206 V HN 1.451 nan 8.190 nan 0.000 0.463 207 c N 0.739 119.326 118.600 -0.021 0.000 3.199 207 c HA 0.573 5.179 4.570 0.060 0.000 0.392 207 c C 0.075 174.157 174.090 -0.013 0.000 1.050 207 c CA -0.566 55.755 56.329 -0.013 0.000 1.222 207 c CB 1.301 43.804 42.510 -0.011 0.000 1.595 207 c HN 1.172 nan 8.230 nan 0.000 0.560 208 R N 2.424 122.924 120.500 0.000 0.000 2.905 208 R HA 0.256 4.632 4.340 0.060 0.000 0.273 208 R C 1.061 177.360 176.300 -0.002 0.000 1.033 208 R CA 0.718 56.825 56.100 0.013 0.000 1.182 208 R CB 0.283 30.601 30.300 0.029 0.000 1.097 208 R HN 0.895 nan 8.270 nan 0.000 0.504 209 S N -1.559 114.154 115.700 0.022 0.000 2.573 209 S HA 0.062 4.568 4.470 0.060 0.000 0.244 209 S C 0.113 174.765 174.600 0.086 0.000 0.984 209 S CA -0.485 57.721 58.200 0.010 0.000 1.001 209 S CB -0.150 63.074 63.200 0.041 0.000 0.788 209 S HN 0.684 nan 8.310 nan 0.000 0.456 210 T N -2.025 112.559 114.554 0.050 0.000 2.906 210 T HA 0.845 5.231 4.350 0.060 0.000 0.295 210 T C -0.885 173.817 174.700 0.003 0.000 1.075 210 T CA -0.758 61.348 62.100 0.010 0.000 1.005 210 T CB 1.826 70.684 68.868 -0.017 0.000 1.136 210 T HN 0.686 nan 8.240 nan 0.000 0.498 211 A N 1.701 124.516 122.820 -0.008 0.000 2.476 211 A HA 0.698 5.055 4.320 0.060 0.000 0.280 211 A C -0.604 177.077 177.584 0.161 0.000 1.081 211 A CA -0.858 51.233 52.037 0.090 0.000 0.753 211 A CB 1.136 20.209 19.000 0.121 0.000 1.248 211 A HN 0.939 nan 8.150 nan 0.000 0.424 212 K N 2.372 122.863 120.400 0.151 0.000 2.221 212 K HA 0.798 5.155 4.320 0.060 0.000 0.258 212 K C -1.330 175.424 176.600 0.256 0.000 0.944 212 K CA -0.551 55.798 56.287 0.104 0.000 0.823 212 K CB 1.262 33.761 32.500 -0.001 0.000 1.113 212 K HN 0.910 nan 8.250 nan 0.000 0.431 213 Y N -1.180 119.118 120.300 -0.002 0.000 2.741 213 Y HA 0.362 4.948 4.550 0.061 0.000 0.339 213 Y C -1.762 174.151 175.900 0.020 0.000 1.226 213 Y CA -1.470 56.635 58.100 0.009 0.000 1.072 213 Y CB 0.835 39.304 38.460 0.015 0.000 1.331 213 Y HN 0.117 nan 8.280 nan 0.000 0.453 214 V N 2.968 122.954 119.914 0.120 0.000 2.368 214 V HA 0.711 4.868 4.120 0.060 0.000 0.266 214 V C -0.853 175.305 176.094 0.106 0.000 1.045 214 V CA -0.139 62.186 62.300 0.041 0.000 0.899 214 V CB 0.673 32.532 31.823 0.061 0.000 1.006 214 V HN 0.818 nan 8.190 nan 0.000 0.470 215 R N 5.484 125.995 120.500 0.019 0.000 2.513 215 R HA 0.505 4.882 4.340 0.060 0.000 0.301 215 R C 0.117 176.439 176.300 0.036 0.000 0.968 215 R CA -0.175 55.981 56.100 0.094 0.000 0.872 215 R CB 0.705 31.110 30.300 0.175 0.000 1.177 215 R HN 0.792 nan 8.270 nan 0.000 0.444 216 N N 3.957 122.686 118.700 0.049 0.000 2.727 216 N HA -0.232 4.544 4.740 0.060 0.000 0.249 216 N C -0.937 174.577 175.510 0.006 0.000 1.048 216 N CA 1.327 54.390 53.050 0.022 0.000 0.714 216 N CB -1.070 37.423 38.487 0.011 0.000 0.959 216 N HN 0.871 nan 8.380 nan 0.000 0.544 217 N N -3.110 115.597 118.700 0.011 0.000 2.800 217 N HA -0.231 4.545 4.740 0.060 0.000 0.250 217 N C -0.665 174.840 175.510 -0.008 0.000 1.078 217 N CA 1.112 54.165 53.050 0.005 0.000 0.804 217 N CB -0.994 37.494 38.487 0.003 0.000 1.135 217 N HN 0.535 nan 8.380 nan 0.000 0.565 218 L N 0.799 122.008 121.223 -0.023 0.000 2.408 218 L HA 0.412 4.788 4.340 0.060 0.000 0.268 218 L C 0.152 176.972 176.870 -0.084 0.000 0.986 218 L CA -0.685 54.128 54.840 -0.046 0.000 0.820 218 L CB 1.758 43.784 42.059 -0.054 0.000 1.303 218 L HN 0.100 nan 8.230 nan 0.000 0.411 219 E N 2.942 123.094 120.200 -0.080 0.000 1.856 219 E HA 0.122 4.508 4.350 0.060 0.000 0.263 219 E C -0.545 175.951 176.600 -0.173 0.000 1.137 219 E CA -0.153 56.178 56.400 -0.115 0.000 1.007 219 E CB 0.322 29.989 29.700 -0.056 0.000 1.117 219 E HN 0.731 nan 8.360 nan 0.000 0.438 220 T N 2.260 116.625 114.554 -0.314 0.000 2.898 220 T HA 0.200 4.587 4.350 0.060 0.000 0.301 220 T C -0.318 174.186 174.700 -0.328 0.000 1.049 220 T CA 0.045 61.955 62.100 -0.318 0.000 1.095 220 T CB 0.972 69.611 68.868 -0.382 0.000 0.976 220 T HN 0.304 nan 8.240 nan 0.000 0.539 221 T N 2.980 117.418 114.554 -0.194 0.000 2.991 221 T HA 0.678 5.064 4.350 0.060 0.000 0.303 221 T C -0.967 173.578 174.700 -0.259 0.000 1.015 221 T CA -0.607 61.359 62.100 -0.224 0.000 1.007 221 T CB 1.398 70.124 68.868 -0.236 0.000 1.034 221 T HN 0.862 nan 8.240 nan 0.000 0.446 222 A N 2.743 125.404 122.820 -0.265 0.000 2.355 222 A HA 0.923 5.279 4.320 0.060 0.000 0.324 222 A C -1.315 176.051 177.584 -0.363 0.000 1.117 222 A CA -0.712 51.228 52.037 -0.160 0.000 0.785 222 A CB 0.779 19.835 19.000 0.093 0.000 1.254 222 A HN 0.711 nan 8.150 nan 0.000 0.453 223 F N 0.776 120.799 119.950 0.122 0.000 2.449 223 F HA 0.343 4.907 4.527 0.062 0.000 0.342 223 F C 0.467 176.331 175.800 0.107 0.000 1.127 223 F CA -0.412 57.647 58.000 0.099 0.000 0.975 223 F CB 1.416 40.441 39.000 0.041 0.000 1.146 223 F HN 0.760 nan 8.300 nan 0.000 0.444 224 H N 4.613 123.782 119.070 0.165 0.000 3.046 224 H HA 0.158 4.749 4.556 0.059 0.000 0.303 224 H C 0.857 176.171 175.328 -0.025 0.000 1.002 224 H CA 0.448 56.543 56.048 0.080 0.000 1.460 224 H CB 0.374 30.171 29.762 0.057 0.000 1.493 224 H HN 0.638 nan 8.280 nan 0.000 0.559 225 R N 3.162 123.277 120.500 -0.641 0.000 4.000 225 R HA -0.285 4.091 4.340 0.060 0.000 0.362 225 R C -0.192 175.828 176.300 -0.467 0.000 1.183 225 R CA 1.174 56.635 56.100 -1.065 0.000 1.011 225 R CB -2.135 27.560 30.300 -1.008 0.000 1.501 225 R HN 1.044 nan 8.270 nan 0.000 0.553 226 D N -1.447 118.903 120.400 -0.082 0.000 3.077 226 D HA -0.170 4.506 4.640 0.060 0.000 0.217 226 D C 0.177 176.426 176.300 -0.085 0.000 1.162 226 D CA 1.986 56.014 54.000 0.046 0.000 0.943 226 D CB -0.389 40.480 40.800 0.116 0.000 1.122 226 D HN 0.473 nan 8.370 nan 0.000 0.413 227 D N -0.784 119.579 120.400 -0.062 0.000 2.315 227 D HA 0.278 4.954 4.640 0.060 0.000 0.275 227 D C 0.785 177.030 176.300 -0.091 0.000 1.218 227 D CA 0.157 54.139 54.000 -0.029 0.000 1.040 227 D CB 0.255 41.093 40.800 0.063 0.000 1.123 227 D HN 0.195 nan 8.370 nan 0.000 0.541 228 H N -0.764 118.320 119.070 0.022 0.000 2.517 228 H HA 0.248 4.840 4.556 0.061 0.000 0.346 228 H C -0.200 175.205 175.328 0.128 0.000 1.222 228 H CA -0.620 55.459 56.048 0.053 0.000 1.314 228 H CB 0.421 30.194 29.762 0.018 0.000 1.609 228 H HN 0.216 nan 8.280 nan 0.000 0.571 229 E N 0.698 121.064 120.200 0.276 0.000 2.493 229 E HA 0.032 4.419 4.350 0.060 0.000 0.255 229 E C -0.831 175.859 176.600 0.150 0.000 0.999 229 E CA 0.298 56.822 56.400 0.207 0.000 0.934 229 E CB 0.165 29.969 29.700 0.174 0.000 0.940 229 E HN 0.532 nan 8.360 nan 0.000 0.473 230 T N 5.056 119.684 114.554 0.123 0.000 2.937 230 T HA 0.160 4.546 4.350 0.060 0.000 0.297 230 T C -1.412 173.318 174.700 0.050 0.000 0.991 230 T CA -0.909 61.242 62.100 0.084 0.000 0.990 230 T CB 1.103 70.027 68.868 0.093 0.000 0.991 230 T HN 0.375 nan 8.240 nan 0.000 0.440 231 D N 3.477 123.896 120.400 0.033 0.000 2.343 231 D HA 0.362 5.038 4.640 0.060 0.000 0.255 231 D C -0.046 176.253 176.300 -0.001 0.000 1.187 231 D CA 0.266 54.274 54.000 0.012 0.000 0.875 231 D CB 0.533 41.339 40.800 0.009 0.000 1.136 231 D HN 0.391 nan 8.370 nan 0.000 0.469 232 M N 1.358 120.947 119.600 -0.018 0.000 2.383 232 M HA 0.275 4.791 4.480 0.060 0.000 0.325 232 M C 0.508 176.785 176.300 -0.038 0.000 1.092 232 M CA -0.835 54.446 55.300 -0.032 0.000 0.961 232 M CB 2.268 34.833 32.600 -0.058 0.000 1.672 232 M HN 0.130 nan 8.290 nan 0.000 0.438 233 E N 2.007 122.185 120.200 -0.036 0.000 2.447 233 E HA 0.205 4.591 4.350 0.060 0.000 0.259 233 E C -1.115 175.458 176.600 -0.045 0.000 1.196 233 E CA 0.161 56.538 56.400 -0.038 0.000 0.995 233 E CB 0.717 30.398 29.700 -0.031 0.000 0.974 233 E HN 0.502 nan 8.360 nan 0.000 0.465 234 L N 2.417 123.618 121.223 -0.037 0.000 2.294 234 L HA 0.300 4.676 4.340 0.060 0.000 0.283 234 L C -0.115 176.798 176.870 0.072 0.000 1.015 234 L CA -0.562 54.276 54.840 -0.003 0.000 0.831 234 L CB 0.855 42.885 42.059 -0.048 0.000 1.217 234 L HN 0.363 nan 8.230 nan 0.000 0.420 235 K N 2.849 123.283 120.400 0.057 0.000 2.164 235 K HA 0.646 5.003 4.320 0.060 0.000 0.258 235 K C -2.820 173.947 176.600 0.277 0.000 0.951 235 K CA -2.161 54.187 56.287 0.102 0.000 0.844 235 K CB 1.410 33.856 32.500 -0.090 0.000 1.099 235 K HN 0.070 nan 8.250 nan 0.000 0.435 236 P HA -0.074 nan 4.420 nan 0.000 0.263 236 P C -0.538 176.815 177.300 0.089 0.000 1.195 236 P CA 0.164 63.277 63.100 0.021 0.000 0.762 236 P CB 0.629 32.325 31.700 -0.008 0.000 0.799 237 A N 4.455 127.275 122.820 -0.000 0.000 2.555 237 A HA -0.024 4.333 4.320 0.060 0.000 0.233 237 A C 0.565 178.106 177.584 -0.072 0.000 1.060 237 A CA -0.041 51.944 52.037 -0.087 0.000 0.759 237 A CB -0.414 18.419 19.000 -0.278 0.000 0.995 237 A HN 0.539 nan 8.150 nan 0.000 0.506 238 N N 0.874 119.532 118.700 -0.069 0.000 2.223 238 N HA 0.127 4.904 4.740 0.060 0.000 0.271 238 N C 0.560 176.024 175.510 -0.077 0.000 1.315 238 N CA 1.151 54.174 53.050 -0.045 0.000 0.835 238 N CB 0.058 38.514 38.487 -0.052 0.000 1.066 238 N HN 0.864 nan 8.380 nan 0.000 0.486 239 A N 1.691 124.477 122.820 -0.058 0.000 2.603 239 A HA 0.376 4.732 4.320 0.060 0.000 0.235 239 A C 0.438 177.978 177.584 -0.075 0.000 1.035 239 A CA 0.527 52.522 52.037 -0.070 0.000 0.755 239 A CB -0.061 18.910 19.000 -0.047 0.000 0.954 239 A HN 0.793 nan 8.150 nan 0.000 0.511 240 A N 2.073 124.840 122.820 -0.087 0.000 2.549 240 A HA 0.765 5.121 4.320 0.060 0.000 0.297 240 A C 0.073 177.612 177.584 -0.076 0.000 1.061 240 A CA 0.049 52.037 52.037 -0.081 0.000 0.690 240 A CB 0.850 19.793 19.000 -0.096 0.000 1.287 240 A HN 1.814 nan 8.150 nan 0.000 0.402 241 T N -0.824 113.692 114.554 -0.064 0.000 2.897 241 T HA 0.538 4.924 4.350 0.060 0.000 0.294 241 T C 0.466 175.128 174.700 -0.064 0.000 1.004 241 T CA -0.260 61.805 62.100 -0.058 0.000 1.106 241 T CB 0.543 69.383 68.868 -0.046 0.000 0.949 241 T HN 0.880 nan 8.240 nan 0.000 0.520 242 R N -0.430 120.032 120.500 -0.062 0.000 3.516 242 R HA -0.147 4.229 4.340 0.060 0.000 0.271 242 R C -0.161 176.091 176.300 -0.080 0.000 1.098 242 R CA 1.037 57.098 56.100 -0.066 0.000 0.732 242 R CB -2.639 27.626 30.300 -0.059 0.000 1.152 242 R HN 1.050 nan 8.270 nan 0.000 0.455 243 T N -2.964 111.535 114.554 -0.091 0.000 2.848 243 T HA 0.512 4.899 4.350 0.060 0.000 0.285 243 T C 0.573 175.195 174.700 -0.130 0.000 0.995 243 T CA -0.302 61.731 62.100 -0.112 0.000 0.970 243 T CB 2.057 70.852 68.868 -0.121 0.000 0.976 243 T HN 0.212 nan 8.240 nan 0.000 0.441 244 S N 3.282 118.899 115.700 -0.138 0.000 2.612 244 S HA 0.270 4.776 4.470 0.060 0.000 0.253 244 S C 0.291 174.750 174.600 -0.235 0.000 1.346 244 S CA -0.892 57.216 58.200 -0.154 0.000 0.976 244 S CB -0.025 63.093 63.200 -0.136 0.000 0.949 244 S HN 0.825 nan 8.310 nan 0.000 0.584 245 R N 0.540 120.859 120.500 -0.302 0.000 2.316 245 R HA 0.457 4.834 4.340 0.060 0.000 0.314 245 R C 0.505 176.300 176.300 -0.843 0.000 1.069 245 R CA 0.159 55.896 56.100 -0.606 0.000 0.959 245 R CB 0.451 30.348 30.300 -0.673 0.000 0.987 245 R HN 0.774 nan 8.270 nan 0.000 0.446 246 G N 2.449 110.752 108.800 -0.828 0.000 2.453 246 G HA2 0.550 4.546 3.960 0.060 0.000 0.323 246 G HA3 0.550 4.546 3.960 0.060 0.000 0.323 246 G C -1.320 173.170 174.900 -0.683 0.000 1.198 246 G CA -0.518 44.224 45.100 -0.597 0.000 0.959 246 G HN 0.452 nan 8.290 nan 0.000 0.482 247 W N 0.279 121.582 121.300 0.004 0.000 3.032 247 W HA 0.473 5.169 4.660 0.060 0.000 0.335 247 W C -0.277 176.316 176.519 0.123 0.000 1.154 247 W CA -0.612 56.780 57.345 0.079 0.000 1.204 247 W CB 2.113 31.589 29.460 0.026 0.000 1.416 247 W HN 0.937 nan 8.180 nan 0.000 0.521 248 H N -2.559 116.597 119.070 0.144 0.000 3.008 248 H HA 0.522 5.116 4.556 0.063 0.000 0.354 248 H C 0.386 175.737 175.328 0.038 0.000 1.252 248 H CA -0.290 55.783 56.048 0.042 0.000 1.117 248 H CB 2.157 31.914 29.762 -0.008 0.000 1.857 248 H HN 0.192 nan 8.280 nan 0.000 0.547 249 T N -1.833 112.690 114.554 -0.052 0.000 3.071 249 T HA 0.166 4.553 4.350 0.060 0.000 0.239 249 T C 0.556 175.173 174.700 -0.139 0.000 0.997 249 T CA 0.669 62.691 62.100 -0.130 0.000 1.134 249 T CB -0.269 68.539 68.868 -0.100 0.000 0.928 249 T HN 0.551 nan 8.240 nan 0.000 0.453 250 T N 3.156 117.680 114.554 -0.051 0.000 2.934 250 T HA 0.524 4.910 4.350 0.060 0.000 0.283 250 T C -0.408 174.394 174.700 0.170 0.000 1.005 250 T CA -0.407 61.705 62.100 0.021 0.000 1.041 250 T CB 1.402 70.276 68.868 0.010 0.000 1.042 250 T HN 0.567 nan 8.240 nan 0.000 0.505 251 D N 0.497 120.995 120.400 0.164 0.000 2.740 251 D HA 0.208 4.884 4.640 0.060 0.000 0.305 251 D C -0.384 176.001 176.300 0.141 0.000 1.583 251 D CA -0.136 53.983 54.000 0.197 0.000 0.790 251 D CB -0.302 40.643 40.800 0.241 0.000 1.187 251 D HN 0.295 nan 8.370 nan 0.000 0.447 252 L N 0.114 121.428 121.223 0.153 0.000 2.513 252 L HA 0.381 4.757 4.340 0.060 0.000 0.261 252 L C -0.704 176.278 176.870 0.187 0.000 0.945 252 L CA -0.942 53.988 54.840 0.150 0.000 0.848 252 L CB 2.660 44.806 42.059 0.146 0.000 1.334 252 L HN -0.282 nan 8.230 nan 0.000 0.407 253 K N 2.205 122.703 120.400 0.163 0.000 2.258 253 K HA 0.252 4.609 4.320 0.060 0.000 0.284 253 K C -0.857 175.868 176.600 0.207 0.000 1.051 253 K CA -0.384 56.012 56.287 0.182 0.000 0.923 253 K CB 1.178 33.758 32.500 0.133 0.000 1.046 253 K HN 0.381 nan 8.250 nan 0.000 0.474 254 Y N 3.754 124.116 120.300 0.104 0.000 2.336 254 Y HA 0.199 4.784 4.550 0.059 0.000 0.335 254 Y C -0.475 175.486 175.900 0.102 0.000 1.046 254 Y CA -0.113 58.027 58.100 0.067 0.000 1.198 254 Y CB 0.657 39.097 38.460 -0.032 0.000 1.182 254 Y HN 0.483 nan 8.280 nan 0.000 0.502 255 N N 7.620 125.955 118.700 -0.608 0.000 2.240 255 N HA 0.348 5.124 4.740 0.060 0.000 0.302 255 N C -3.007 172.083 175.510 -0.700 0.000 1.106 255 N CA -1.552 51.190 53.050 -0.512 0.000 0.778 255 N CB 2.200 40.617 38.487 -0.117 0.000 1.431 255 N HN 0.453 nan 8.380 nan 0.000 0.479 256 P HA 0.111 nan 4.420 nan 0.000 0.281 256 P C 0.034 177.293 177.300 -0.069 0.000 1.252 256 P CA -0.074 62.893 63.100 -0.221 0.000 0.778 256 P CB 1.077 32.722 31.700 -0.093 0.000 0.895 257 S N 1.990 117.602 115.700 -0.146 0.000 2.626 257 S HA 0.278 4.784 4.470 0.060 0.000 0.257 257 S C 2.093 176.260 174.600 -0.721 0.000 1.288 257 S CA 0.303 58.323 58.200 -0.300 0.000 0.980 257 S CB 0.231 63.298 63.200 -0.221 0.000 0.975 257 S HN 0.542 nan 8.310 nan 0.000 0.577 258 R N 0.625 120.389 120.500 -1.227 0.000 2.185 258 R HA -0.015 4.362 4.340 0.060 0.000 0.247 258 R C 1.316 177.250 176.300 -0.610 0.000 1.159 258 R CA 2.095 57.373 56.100 -1.368 0.000 0.988 258 R CB -1.983 27.760 30.300 -0.927 0.000 0.871 258 R HN 0.523 nan 8.270 nan 0.000 0.458 264 R N 1.188 121.465 120.500 -0.373 0.000 2.362 264 R HA 0.366 4.742 4.340 0.060 0.000 0.227 264 R C -0.545 175.055 176.300 -1.167 0.000 0.905 264 R CA 1.090 56.707 56.100 -0.805 0.000 1.067 264 R CB -0.170 29.514 30.300 -1.027 0.000 1.078 264 R HN 0.377 nan 8.270 nan 0.000 0.516 265 Y N -3.203 116.793 120.300 -0.507 0.000 2.597 265 Y HA 0.600 5.187 4.550 0.061 0.000 0.340 265 Y C 1.084 176.880 175.900 -0.172 0.000 1.097 265 Y CA -1.077 56.851 58.100 -0.286 0.000 1.037 265 Y CB 2.160 40.492 38.460 -0.214 0.000 1.305 265 Y HN 0.051 nan 8.280 nan 0.000 0.463 266 G N 0.168 109.111 108.800 0.239 0.000 2.456 266 G HA2 -0.076 3.920 3.960 0.060 0.000 0.208 266 G HA3 -0.076 3.920 3.960 0.060 0.000 0.208 266 G C -0.535 174.539 174.900 0.291 0.000 1.004 266 G CA -0.442 44.789 45.100 0.219 0.000 0.791 266 G HN 0.602 nan 8.290 nan 0.000 0.537 267 T N 1.737 116.523 114.554 0.386 0.000 2.875 267 T HA 0.657 5.043 4.350 0.060 0.000 0.284 267 T C -0.197 174.717 174.700 0.357 0.000 0.995 267 T CA 0.272 62.573 62.100 0.335 0.000 1.060 267 T CB 1.795 70.846 68.868 0.305 0.000 0.967 267 T HN 0.168 nan 8.240 nan 0.000 0.476 268 T N 2.255 116.980 114.554 0.285 0.000 2.921 268 T HA 0.537 4.924 4.350 0.060 0.000 0.297 268 T C -0.827 174.058 174.700 0.308 0.000 1.013 268 T CA -0.546 61.736 62.100 0.303 0.000 0.990 268 T CB 1.438 70.474 68.868 0.279 0.000 1.023 268 T HN 0.331 nan 8.240 nan 0.000 0.447 269 V N 3.325 123.529 119.914 0.483 0.000 2.540 269 V HA 0.574 4.730 4.120 0.060 0.000 0.302 269 V C -0.373 175.764 176.094 0.072 0.000 1.035 269 V CA -0.904 61.539 62.300 0.239 0.000 0.873 269 V CB 1.798 33.736 31.823 0.192 0.000 0.992 269 V HN 0.921 nan 8.190 nan 0.000 0.428 270 N N 2.553 121.273 118.700 0.033 0.000 2.531 270 N HA 0.314 5.091 4.740 0.060 0.000 0.268 270 N C -0.844 174.641 175.510 -0.043 0.000 1.023 270 N CA -0.383 52.660 53.050 -0.012 0.000 0.896 270 N CB 1.102 39.608 38.487 0.032 0.000 1.233 270 N HN 0.756 nan 8.380 nan 0.000 0.512 271 c N 5.840 124.406 118.600 -0.056 0.000 2.619 271 c HA 0.448 5.054 4.570 0.060 0.000 0.389 271 c C 0.322 174.372 174.090 -0.066 0.000 1.314 271 c CA -0.522 55.772 56.329 -0.059 0.000 1.678 271 c CB -1.831 40.658 42.510 -0.035 0.000 2.398 271 c HN 0.682 nan 8.230 nan 0.000 0.582 272 I N 6.843 127.297 120.570 -0.194 0.000 2.509 272 I HA 0.708 4.914 4.170 0.060 0.000 0.293 272 I C -1.158 174.784 176.117 -0.293 0.000 1.020 272 I CA -0.351 60.797 61.300 -0.254 0.000 1.088 272 I CB 1.751 39.482 38.000 -0.448 0.000 1.267 272 I HN 0.403 nan 8.210 nan 0.000 0.430 273 V N 6.584 126.464 119.914 -0.056 0.000 2.638 273 V HA 0.527 4.683 4.120 0.060 0.000 0.306 273 V C -0.866 175.295 176.094 0.111 0.000 1.052 273 V CA -0.519 61.777 62.300 -0.007 0.000 0.885 273 V CB 2.049 33.947 31.823 0.125 0.000 0.999 273 V HN 0.749 nan 8.190 nan 0.000 0.424 274 E N 2.514 122.698 120.200 -0.028 0.000 2.292 274 E HA 0.431 4.817 4.350 0.060 0.000 0.272 274 E C -1.278 175.306 176.600 -0.027 0.000 0.881 274 E CA -0.744 55.644 56.400 -0.019 0.000 0.754 274 E CB 2.764 32.425 29.700 -0.066 0.000 1.201 274 E HN 0.676 nan 8.360 nan 0.000 0.425 275 E N 1.848 122.064 120.200 0.028 0.000 2.194 275 E HA 0.270 4.657 4.350 0.060 0.000 0.284 275 E C -0.490 176.075 176.600 -0.057 0.000 1.035 275 E CA -0.471 55.946 56.400 0.028 0.000 0.836 275 E CB 1.213 30.976 29.700 0.104 0.000 1.070 275 E HN 0.253 nan 8.360 nan 0.000 0.401 276 V N 0.055 119.920 119.914 -0.082 0.000 2.823 276 V HA 0.403 4.560 4.120 0.060 0.000 0.312 276 V C -0.425 175.553 176.094 -0.193 0.000 1.072 276 V CA -1.227 60.988 62.300 -0.141 0.000 0.937 276 V CB 2.149 33.870 31.823 -0.170 0.000 1.013 276 V HN 0.408 nan 8.190 nan 0.000 0.430 277 D N 2.880 123.148 120.400 -0.221 0.000 2.390 277 D HA 0.586 5.262 4.640 0.060 0.000 0.249 277 D C 0.141 176.190 176.300 -0.418 0.000 1.144 277 D CA 0.619 54.437 54.000 -0.304 0.000 0.880 277 D CB 1.792 42.450 40.800 -0.237 0.000 1.182 277 D HN 1.111 nan 8.370 nan 0.000 0.451 278 A N 3.481 125.869 122.820 -0.719 0.000 2.342 278 A HA 0.664 5.021 4.320 0.060 0.000 0.323 278 A C -0.227 176.909 177.584 -0.747 0.000 1.125 278 A CA -0.791 50.756 52.037 -0.816 0.000 0.785 278 A CB 1.152 19.401 19.000 -1.252 0.000 1.221 278 A HN 0.490 nan 8.150 nan 0.000 0.463 279 R N 1.461 121.772 120.500 -0.315 0.000 2.435 279 R HA 0.511 4.888 4.340 0.060 0.000 0.308 279 R C -0.446 175.932 176.300 0.131 0.000 0.975 279 R CA -0.238 55.800 56.100 -0.102 0.000 0.867 279 R CB 1.966 32.202 30.300 -0.107 0.000 1.171 279 R HN 0.675 nan 8.270 nan 0.000 0.470 280 S N 1.790 117.716 115.700 0.375 0.000 2.654 280 S HA 0.652 5.158 4.470 0.060 0.000 0.283 280 S C -0.479 174.393 174.600 0.454 0.000 1.180 280 S CA -0.510 58.000 58.200 0.516 0.000 1.021 280 S CB 1.215 64.851 63.200 0.727 0.000 1.018 280 S HN 0.264 nan 8.310 nan 0.000 0.532 281 V N 3.406 123.447 119.914 0.211 0.000 2.760 281 V HA 0.333 4.490 4.120 0.060 0.000 0.309 281 V C -0.889 174.828 176.094 -0.629 0.000 1.077 281 V CA -0.927 61.304 62.300 -0.114 0.000 0.910 281 V CB 1.513 33.332 31.823 -0.005 0.000 1.008 281 V HN 0.966 nan 8.190 nan 0.000 0.424 282 Y N 7.160 126.654 120.300 -1.343 0.000 3.073 282 Y HA -0.033 4.553 4.550 0.059 0.000 0.343 282 Y C -1.411 174.242 175.900 -0.412 0.000 1.274 282 Y CA -0.166 57.286 58.100 -1.081 0.000 1.554 282 Y CB 0.805 38.954 38.460 -0.518 0.000 1.250 282 Y HN 0.534 nan 8.280 nan 0.000 0.622 283 P HA 0.041 nan 4.420 nan 0.000 0.256 283 P C -1.319 175.781 177.300 -0.334 0.000 1.335 283 P CA 0.530 62.952 63.100 -1.130 0.000 0.808 283 P CB -0.412 30.807 31.700 -0.801 0.000 1.305 284 Y N -0.728 119.533 120.300 -0.066 0.000 3.305 284 Y HA -0.203 4.383 4.550 0.060 0.000 0.209 284 Y C 0.410 176.389 175.900 0.131 0.000 1.354 284 Y CA 0.372 58.526 58.100 0.089 0.000 1.392 284 Y CB -2.913 35.626 38.460 0.131 0.000 1.446 284 Y HN 0.211 nan 8.280 nan 0.000 0.553 285 D N -0.272 120.220 120.400 0.153 0.000 2.368 285 D HA 0.208 4.884 4.640 0.060 0.000 0.218 285 D C 0.478 176.918 176.300 0.234 0.000 1.112 285 D CA 0.797 54.896 54.000 0.165 0.000 0.834 285 D CB 0.246 41.014 40.800 -0.053 0.000 0.953 285 D HN 0.738 nan 8.370 nan 0.000 0.505 286 E N -1.054 119.318 120.200 0.286 0.000 2.429 286 E HA 0.490 4.876 4.350 0.060 0.000 0.277 286 E C -1.280 175.551 176.600 0.385 0.000 1.130 286 E CA -1.256 55.310 56.400 0.277 0.000 0.875 286 E CB 0.911 30.695 29.700 0.139 0.000 1.443 286 E HN 0.035 nan 8.360 nan 0.000 0.444 287 F N -1.407 118.578 119.950 0.058 0.000 2.807 287 F HA 0.711 5.277 4.527 0.064 0.000 0.316 287 F C -1.199 174.478 175.800 -0.205 0.000 1.162 287 F CA -0.851 57.140 58.000 -0.016 0.000 0.910 287 F CB 0.598 39.639 39.000 0.068 0.000 1.314 287 F HN 0.510 nan 8.300 nan 0.000 0.454 288 V N -0.137 119.671 119.914 -0.176 0.000 3.302 288 V HA 0.854 5.011 4.120 0.060 0.000 0.304 288 V C -0.935 174.993 176.094 -0.276 0.000 1.209 288 V CA -1.105 60.913 62.300 -0.470 0.000 1.032 288 V CB 1.721 33.165 31.823 -0.631 0.000 1.219 288 V HN 0.960 nan 8.190 nan 0.000 0.469 289 L N -1.122 119.898 121.223 -0.338 0.000 2.397 289 L HA 0.698 5.074 4.340 0.060 0.000 0.251 289 L C 1.457 178.161 176.870 -0.277 0.000 1.064 289 L CA -0.430 54.238 54.840 -0.287 0.000 0.859 289 L CB 1.738 43.623 42.059 -0.290 0.000 1.468 289 L HN 0.771 nan 8.230 nan 0.000 0.411 290 A N -0.288 122.383 122.820 -0.248 0.000 1.933 290 A HA -0.151 4.205 4.320 0.060 0.000 0.218 290 A C 1.941 179.407 177.584 -0.196 0.000 1.175 290 A CA 2.308 54.219 52.037 -0.210 0.000 0.628 290 A CB -0.938 17.951 19.000 -0.185 0.000 0.814 290 A HN 0.886 nan 8.150 nan 0.000 0.444 291 T N -4.062 110.363 114.554 -0.215 0.000 3.113 291 T HA 0.336 4.722 4.350 0.060 0.000 0.263 291 T C 1.397 175.983 174.700 -0.190 0.000 1.143 291 T CA 1.211 63.194 62.100 -0.196 0.000 1.090 291 T CB -0.226 68.500 68.868 -0.236 0.000 0.922 291 T HN 1.771 nan 8.240 nan 0.000 0.521 292 G N 0.811 109.477 108.800 -0.223 0.000 2.157 292 G HA2 -0.178 3.819 3.960 0.060 0.000 0.239 292 G HA3 -0.178 3.819 3.960 0.060 0.000 0.239 292 G C -0.365 174.396 174.900 -0.232 0.000 0.982 292 G CA -0.062 44.901 45.100 -0.228 0.000 0.650 292 G HN 0.588 nan 8.290 nan 0.000 0.527 293 D N -0.242 120.021 120.400 -0.229 0.000 2.341 293 D HA 0.529 5.205 4.640 0.060 0.000 0.245 293 D C 0.304 176.467 176.300 -0.228 0.000 1.106 293 D CA 0.149 54.076 54.000 -0.120 0.000 0.905 293 D CB 0.706 41.447 40.800 -0.098 0.000 1.202 293 D HN 0.054 nan 8.370 nan 0.000 0.426 294 F N 0.289 120.138 119.950 -0.169 0.000 2.377 294 F HA 0.292 4.845 4.527 0.043 0.000 0.328 294 F C 0.497 176.018 175.800 -0.465 0.000 1.094 294 F CA -0.542 57.206 58.000 -0.419 0.000 1.093 294 F CB 1.352 39.948 39.000 -0.673 0.000 1.214 294 F HN -0.074 nan 8.300 nan 0.000 0.518 295 V N 3.614 123.215 119.914 -0.523 0.000 2.385 295 V HA 0.134 4.290 4.120 0.060 0.000 0.277 295 V C -1.027 174.828 176.094 -0.397 0.000 1.012 295 V CA -0.954 61.026 62.300 -0.533 0.000 0.832 295 V CB 0.484 31.625 31.823 -1.136 0.000 1.028 295 V HN 0.567 nan 8.190 nan 0.000 0.436 296 Y N 5.071 125.455 120.300 0.140 0.000 2.889 296 Y HA 0.500 5.083 4.550 0.054 0.000 0.367 296 Y C 0.401 176.512 175.900 0.352 0.000 1.197 296 Y CA 0.185 58.399 58.100 0.191 0.000 1.993 296 Y CB -0.068 38.443 38.460 0.084 0.000 2.112 296 Y HN 0.594 nan 8.280 nan 0.000 0.413 297 M N 0.515 120.342 119.600 0.379 0.000 2.365 297 M HA 0.276 4.792 4.480 0.060 0.000 0.288 297 M C -0.833 175.752 176.300 0.474 0.000 1.152 297 M CA -0.580 54.965 55.300 0.408 0.000 0.948 297 M CB 1.740 34.490 32.600 0.251 0.000 1.729 297 M HN 0.085 nan 8.290 nan 0.000 0.487 298 S N 4.041 120.017 115.700 0.461 0.000 2.546 298 S HA 0.191 4.697 4.470 0.060 0.000 0.290 298 S C -1.956 172.893 174.600 0.415 0.000 1.290 298 S CA -0.598 57.868 58.200 0.444 0.000 1.069 298 S CB 0.496 63.955 63.200 0.431 0.000 0.846 298 S HN 0.574 nan 8.310 nan 0.000 0.495 299 P HA 0.046 nan 4.420 nan 0.000 0.236 299 P C -0.034 177.072 177.300 -0.323 0.000 1.172 299 P CA 0.967 63.880 63.100 -0.312 0.000 0.759 299 P CB -0.019 31.148 31.700 -0.889 0.000 0.843 300 F N -4.452 115.630 119.950 0.219 0.000 2.682 300 F HA 0.224 4.788 4.527 0.062 0.000 0.308 300 F C 0.988 177.041 175.800 0.421 0.000 1.093 300 F CA -0.816 57.328 58.000 0.239 0.000 1.244 300 F CB -0.391 38.632 39.000 0.039 0.000 1.052 300 F HN -0.203 nan 8.300 nan 0.000 0.573 301 Y N 1.720 122.218 120.300 0.329 0.000 2.597 301 Y HA 0.412 5.000 4.550 0.062 0.000 0.336 301 Y C 0.610 176.475 175.900 -0.058 0.000 1.216 301 Y CA 0.789 58.953 58.100 0.107 0.000 1.463 301 Y CB 0.193 38.627 38.460 -0.044 0.000 1.303 301 Y HN 0.159 nan 8.280 nan 0.000 0.576 302 G N 3.386 111.723 108.800 -0.771 0.000 2.325 302 G HA2 0.011 4.007 3.960 0.060 0.000 0.295 302 G HA3 0.011 4.007 3.960 0.060 0.000 0.295 302 G C -0.988 173.635 174.900 -0.462 0.000 1.274 302 G CA -0.384 44.294 45.100 -0.703 0.000 0.857 302 G HN 0.584 nan 8.290 nan 0.000 0.499 303 Y N 0.048 120.193 120.300 -0.259 0.000 2.464 303 Y HA 0.316 4.902 4.550 0.061 0.000 0.288 303 Y C 1.953 177.696 175.900 -0.261 0.000 1.133 303 Y CA -0.531 57.457 58.100 -0.186 0.000 1.223 303 Y CB 0.254 38.632 38.460 -0.137 0.000 1.187 303 Y HN 0.070 nan 8.280 nan 0.000 0.539 304 R N 2.471 122.796 120.500 -0.293 0.000 2.619 304 R HA -0.097 4.280 4.340 0.060 0.000 0.268 304 R C 0.198 176.416 176.300 -0.137 0.000 0.990 304 R CA 0.524 56.432 56.100 -0.320 0.000 1.092 304 R CB 0.202 30.076 30.300 -0.711 0.000 0.935 304 R HN 0.317 nan 8.270 nan 0.000 0.415 305 E N 0.322 120.508 120.200 -0.022 0.000 3.464 305 E HA -0.275 4.111 4.350 0.060 0.000 0.362 305 E C 0.776 177.406 176.600 0.050 0.000 1.544 305 E CA 2.194 58.625 56.400 0.052 0.000 1.816 305 E CB -0.987 28.801 29.700 0.147 0.000 1.767 305 E HN 0.866 nan 8.360 nan 0.000 0.458 306 G N -0.962 107.893 108.800 0.092 0.000 3.949 306 G HA2 0.313 4.309 3.960 0.060 0.000 0.295 306 G HA3 0.313 4.309 3.960 0.060 0.000 0.295 306 G C 0.282 175.252 174.900 0.118 0.000 1.286 306 G CA 0.400 45.553 45.100 0.088 0.000 1.171 306 G HN 0.177 nan 8.290 nan 0.000 0.586 307 S N -0.318 115.453 115.700 0.119 0.000 2.561 307 S HA -0.044 4.463 4.470 0.060 0.000 0.225 307 S C 1.755 176.324 174.600 -0.051 0.000 0.977 307 S CA 0.252 58.524 58.200 0.119 0.000 0.926 307 S CB -0.109 63.146 63.200 0.092 0.000 0.769 307 S HN 0.634 nan 8.310 nan 0.000 0.533 308 H N 1.129 120.122 119.070 -0.128 0.000 2.470 308 H HA 0.059 4.652 4.556 0.061 0.000 0.289 308 H C 2.354 177.697 175.328 0.025 0.000 1.033 308 H CA 1.547 57.493 56.048 -0.171 0.000 1.331 308 H CB -0.171 29.562 29.762 -0.049 0.000 1.414 308 H HN 0.259 nan 8.280 nan 0.000 0.545 309 T N -0.091 114.538 114.554 0.126 0.000 3.007 309 T HA -0.071 4.315 4.350 0.060 0.000 0.270 309 T C 0.552 175.347 174.700 0.159 0.000 1.107 309 T CA 0.111 62.288 62.100 0.128 0.000 1.118 309 T CB -0.155 68.776 68.868 0.106 0.000 0.889 309 T HN 0.253 nan 8.240 nan 0.000 0.506 310 E N 1.371 121.698 120.200 0.213 0.000 2.416 310 E HA 0.070 4.456 4.350 0.060 0.000 0.254 310 E C 0.169 176.992 176.600 0.372 0.000 1.241 310 E CA -0.126 56.468 56.400 0.322 0.000 0.969 310 E CB 0.067 30.014 29.700 0.412 0.000 0.999 310 E HN 0.539 nan 8.360 nan 0.000 0.481 311 H N -0.233 118.957 119.070 0.199 0.000 2.505 311 H HA 0.313 4.905 4.556 0.059 0.000 0.351 311 H C -0.785 174.458 175.328 -0.143 0.000 1.151 311 H CA 0.299 56.380 56.048 0.055 0.000 1.339 311 H CB 1.394 31.189 29.762 0.056 0.000 1.483 311 H HN 0.358 nan 8.280 nan 0.000 0.558 312 T N 1.689 115.496 114.554 -1.247 0.000 2.957 312 T HA 0.235 4.621 4.350 0.060 0.000 0.336 312 T C -0.615 173.564 174.700 -0.870 0.000 1.462 312 T CA -0.514 60.967 62.100 -1.032 0.000 1.073 312 T CB 0.830 69.114 68.868 -0.973 0.000 1.319 312 T HN 0.556 nan 8.240 nan 0.000 0.485 313 S N 2.222 117.576 115.700 -0.577 0.000 2.663 313 S HA 0.377 4.883 4.470 0.060 0.000 0.243 313 S C -0.852 173.370 174.600 -0.629 0.000 1.009 313 S CA -0.270 57.603 58.200 -0.544 0.000 0.988 313 S CB -0.053 62.843 63.200 -0.508 0.000 0.896 313 S HN 0.622 nan 8.310 nan 0.000 0.502 314 Y N 0.853 121.069 120.300 -0.140 0.000 2.630 314 Y HA 0.780 5.364 4.550 0.057 0.000 0.337 314 Y C 0.589 176.475 175.900 -0.023 0.000 1.051 314 Y CA -1.505 56.566 58.100 -0.048 0.000 1.121 314 Y CB 0.378 38.838 38.460 0.000 0.000 1.299 314 Y HN 0.065 nan 8.280 nan 0.000 0.498 315 A N 0.516 123.460 122.820 0.206 0.000 2.262 315 A HA 0.544 4.900 4.320 0.060 0.000 0.273 315 A C 1.191 178.907 177.584 0.219 0.000 1.202 315 A CA 0.241 52.377 52.037 0.164 0.000 0.811 315 A CB -0.582 18.501 19.000 0.140 0.000 1.159 315 A HN 1.031 nan 8.150 nan 0.000 0.505 316 A N -1.608 121.341 122.820 0.216 0.000 2.178 316 A HA 0.100 4.456 4.320 0.060 0.000 0.211 316 A C 1.199 178.915 177.584 0.219 0.000 1.157 316 A CA 1.190 53.404 52.037 0.295 0.000 0.780 316 A CB -0.298 18.869 19.000 0.278 0.000 0.828 316 A HN 0.689 nan 8.150 nan 0.000 0.476 317 D N 0.005 120.502 120.400 0.161 0.000 2.249 317 D HA -0.031 4.645 4.640 0.060 0.000 0.205 317 D C 1.829 178.233 176.300 0.174 0.000 0.962 317 D CA 0.652 54.716 54.000 0.107 0.000 0.860 317 D CB -0.191 40.678 40.800 0.116 0.000 0.955 317 D HN 0.381 nan 8.370 nan 0.000 0.505 318 R N -0.516 120.143 120.500 0.265 0.000 2.276 318 R HA 0.039 4.415 4.340 0.060 0.000 0.203 318 R C 0.156 176.733 176.300 0.460 0.000 1.017 318 R CA 0.082 56.408 56.100 0.378 0.000 1.010 318 R CB 0.138 30.567 30.300 0.216 0.000 0.900 318 R HN 0.069 nan 8.270 nan 0.000 0.469 319 F N 1.300 121.311 119.950 0.102 0.000 2.493 319 F HA 0.384 4.947 4.527 0.060 0.000 0.329 319 F C -1.135 174.554 175.800 -0.184 0.000 1.126 319 F CA -1.108 56.905 58.000 0.022 0.000 0.937 319 F CB 1.160 40.198 39.000 0.064 0.000 1.146 319 F HN -0.387 nan 8.300 nan 0.000 0.442 320 K N 6.374 126.128 120.400 -1.077 0.000 2.640 320 K HA 0.187 4.543 4.320 0.060 0.000 0.245 320 K C -1.224 174.780 176.600 -0.993 0.000 0.962 320 K CA -0.499 55.135 56.287 -1.087 0.000 0.896 320 K CB 1.887 33.736 32.500 -1.086 0.000 1.147 320 K HN 0.840 nan 8.250 nan 0.000 0.445 321 Q N 2.257 121.411 119.800 -1.076 0.000 2.274 321 Q HA 0.352 4.728 4.340 0.060 0.000 0.256 321 Q C -0.946 174.837 176.000 -0.363 0.000 0.927 321 Q CA -0.512 54.890 55.803 -0.667 0.000 0.939 321 Q CB 1.099 29.474 28.738 -0.605 0.000 1.201 321 Q HN 0.270 nan 8.270 nan 0.000 0.426 322 V N 4.713 124.450 119.914 -0.295 0.000 2.378 322 V HA 0.220 4.376 4.120 0.060 0.000 0.288 322 V C -0.225 175.827 176.094 -0.069 0.000 1.016 322 V CA -0.757 61.454 62.300 -0.149 0.000 0.840 322 V CB 1.555 33.327 31.823 -0.085 0.000 0.994 322 V HN 0.824 nan 8.190 nan 0.000 0.431 323 D N 3.146 123.532 120.400 -0.023 0.000 2.466 323 D HA 0.472 5.148 4.640 0.060 0.000 0.262 323 D C 1.217 177.570 176.300 0.089 0.000 1.177 323 D CA 0.850 54.862 54.000 0.020 0.000 1.035 323 D CB 1.750 42.543 40.800 -0.012 0.000 1.105 323 D HN 0.847 nan 8.370 nan 0.000 0.551 324 G N 0.819 109.664 108.800 0.077 0.000 2.321 324 G HA2 -0.286 3.710 3.960 0.060 0.000 0.287 324 G HA3 -0.286 3.710 3.960 0.060 0.000 0.287 324 G C 0.151 175.149 174.900 0.164 0.000 1.018 324 G CA 0.632 45.791 45.100 0.099 0.000 0.855 324 G HN 0.376 nan 8.290 nan 0.000 0.507 325 F N 1.294 121.224 119.950 -0.033 0.000 2.404 325 F HA 0.696 5.259 4.527 0.061 0.000 0.358 325 F C 0.378 176.144 175.800 -0.057 0.000 1.120 325 F CA -1.471 56.535 58.000 0.011 0.000 1.144 325 F CB 0.424 39.411 39.000 -0.023 0.000 1.133 325 F HN 0.128 nan 8.300 nan 0.000 0.495 326 Y N 3.869 123.753 120.300 -0.694 0.000 2.458 326 Y HA 0.677 5.263 4.550 0.060 0.000 0.322 326 Y C 0.056 175.366 175.900 -0.983 0.000 1.259 326 Y CA -0.946 56.794 58.100 -0.600 0.000 1.302 326 Y CB 1.480 39.755 38.460 -0.309 0.000 1.314 326 Y HN 0.663 nan 8.280 nan 0.000 0.509 327 A N 2.137 124.769 122.820 -0.314 0.000 2.311 327 A HA 0.498 4.854 4.320 0.060 0.000 0.306 327 A C -0.822 176.716 177.584 -0.076 0.000 1.189 327 A CA -0.843 51.069 52.037 -0.208 0.000 0.791 327 A CB 0.667 19.669 19.000 0.004 0.000 1.172 327 A HN 0.769 nan 8.150 nan 0.000 0.481 328 R N 3.636 124.085 120.500 -0.085 0.000 2.230 328 R HA 0.107 4.484 4.340 0.060 0.000 0.337 328 R C -0.769 175.489 176.300 -0.071 0.000 1.063 328 R CA -0.418 55.642 56.100 -0.066 0.000 0.935 328 R CB 0.282 30.533 30.300 -0.081 0.000 1.121 328 R HN 0.872 nan 8.270 nan 0.000 0.486 329 D N 3.949 124.324 120.400 -0.042 0.000 2.548 329 D HA -0.109 4.567 4.640 0.060 0.000 0.231 329 D C 0.680 176.900 176.300 -0.134 0.000 1.142 329 D CA 0.410 54.381 54.000 -0.048 0.000 0.866 329 D CB 0.920 41.736 40.800 0.026 0.000 1.190 329 D HN 0.615 nan 8.370 nan 0.000 0.469 330 L N 2.607 123.651 121.223 -0.298 0.000 2.640 330 L HA 0.047 4.423 4.340 0.060 0.000 0.230 330 L C 1.644 178.436 176.870 -0.130 0.000 1.123 330 L CA 0.128 54.696 54.840 -0.454 0.000 0.900 330 L CB 0.282 41.626 42.059 -1.191 0.000 1.146 330 L HN 0.364 nan 8.230 nan 0.000 0.484 331 T N -2.679 111.945 114.554 0.116 0.000 2.959 331 T HA 0.004 4.390 4.350 0.060 0.000 0.254 331 T C 1.677 176.448 174.700 0.119 0.000 1.003 331 T CA 0.964 63.208 62.100 0.239 0.000 0.950 331 T CB 0.494 69.586 68.868 0.373 0.000 1.090 331 T HN 0.376 nan 8.240 nan 0.000 0.503 332 T N -0.559 114.039 114.554 0.073 0.000 2.964 332 T HA 0.269 4.655 4.350 0.060 0.000 0.250 332 T C 0.787 175.495 174.700 0.014 0.000 0.982 332 T CA 0.015 62.142 62.100 0.045 0.000 0.959 332 T CB -0.034 68.864 68.868 0.049 0.000 1.141 332 T HN 0.239 nan 8.240 nan 0.000 0.494 333 K N 0.700 121.096 120.400 -0.007 0.000 3.391 333 K HA -0.108 4.248 4.320 0.060 0.000 0.307 333 K C 0.123 176.708 176.600 -0.024 0.000 1.304 333 K CA 0.368 56.638 56.287 -0.030 0.000 0.904 333 K CB -2.252 30.231 32.500 -0.027 0.000 1.293 333 K HN 0.677 nan 8.250 nan 0.000 0.470 334 A N 2.075 124.889 122.820 -0.009 0.000 2.276 334 A HA 0.374 4.730 4.320 0.060 0.000 0.300 334 A C 0.431 178.011 177.584 -0.006 0.000 1.235 334 A CA -0.478 51.556 52.037 -0.006 0.000 0.867 334 A CB 0.523 19.528 19.000 0.009 0.000 1.137 334 A HN 0.322 nan 8.150 nan 0.000 0.527 335 R N 2.597 123.086 120.500 -0.019 0.000 2.698 335 R HA 0.278 4.654 4.340 0.060 0.000 0.266 335 R C 0.438 176.768 176.300 0.049 0.000 1.026 335 R CA 0.396 56.489 56.100 -0.011 0.000 1.102 335 R CB 0.351 30.613 30.300 -0.063 0.000 0.978 335 R HN 0.840 nan 8.270 nan 0.000 0.436 336 A N 2.870 125.745 122.820 0.091 0.000 2.483 336 A HA 0.003 4.359 4.320 0.060 0.000 0.238 336 A C 1.232 178.937 177.584 0.202 0.000 1.070 336 A CA 0.408 52.510 52.037 0.108 0.000 0.770 336 A CB 0.664 19.688 19.000 0.039 0.000 1.008 336 A HN 0.945 nan 8.150 nan 0.000 0.497 337 T N 0.408 115.032 114.554 0.116 0.000 2.951 337 T HA 0.281 4.667 4.350 0.060 0.000 0.268 337 T C 0.647 175.423 174.700 0.126 0.000 1.073 337 T CA 1.613 63.789 62.100 0.127 0.000 1.134 337 T CB -0.380 68.529 68.868 0.069 0.000 0.884 337 T HN 1.290 nan 8.240 nan 0.000 0.479 338 A N 2.001 124.811 122.820 -0.017 0.000 2.414 338 A HA 0.761 5.118 4.320 0.060 0.000 0.306 338 A C -2.755 174.558 177.584 -0.453 0.000 1.054 338 A CA -1.746 50.187 52.037 -0.174 0.000 0.724 338 A CB 1.463 20.420 19.000 -0.071 0.000 1.267 338 A HN 0.261 nan 8.150 nan 0.000 0.418 339 P HA 0.536 nan 4.420 nan 0.000 0.275 339 P C -0.436 176.753 177.300 -0.184 0.000 1.266 339 P CA 0.056 62.749 63.100 -0.678 0.000 0.793 339 P CB 1.002 32.328 31.700 -0.623 0.000 1.074 340 T N -0.638 113.926 114.554 0.016 0.000 2.900 340 T HA 0.264 4.650 4.350 0.060 0.000 0.303 340 T C -0.434 174.332 174.700 0.111 0.000 1.142 340 T CA -0.365 61.800 62.100 0.109 0.000 1.007 340 T CB 0.908 69.884 68.868 0.180 0.000 1.156 340 T HN 0.195 nan 8.240 nan 0.000 0.490 341 T N 2.775 117.385 114.554 0.092 0.000 4.280 341 T HA 0.149 4.536 4.350 0.060 0.000 0.245 341 T C 0.543 175.193 174.700 -0.082 0.000 1.100 341 T CA -0.265 61.855 62.100 0.033 0.000 1.137 341 T CB -0.616 68.338 68.868 0.144 0.000 1.296 341 T HN 0.247 nan 8.240 nan 0.000 0.998 342 R N 2.749 123.117 120.500 -0.219 0.000 2.643 342 R HA 0.233 4.609 4.340 0.060 0.000 0.270 342 R C -0.303 175.695 176.300 -0.503 0.000 1.061 342 R CA 0.014 55.808 56.100 -0.510 0.000 1.107 342 R CB 0.193 29.751 30.300 -1.236 0.000 0.999 342 R HN 0.282 nan 8.270 nan 0.000 0.460 343 N N 2.698 121.027 118.700 -0.618 0.000 2.272 343 N HA 0.504 5.280 4.740 0.060 0.000 0.305 343 N C -1.533 173.740 175.510 -0.394 0.000 1.103 343 N CA -0.536 52.170 53.050 -0.574 0.000 0.791 343 N CB 1.631 39.534 38.487 -0.973 0.000 1.356 343 N HN 0.284 nan 8.380 nan 0.000 0.486 344 L N 1.327 122.492 121.223 -0.097 0.000 2.491 344 L HA 0.423 4.799 4.340 0.060 0.000 0.267 344 L C -1.341 175.795 176.870 0.444 0.000 0.971 344 L CA -0.424 54.526 54.840 0.184 0.000 0.857 344 L CB 1.593 43.767 42.059 0.191 0.000 1.226 344 L HN 0.368 nan 8.230 nan 0.000 0.408 345 L N 2.507 124.026 121.223 0.493 0.000 2.287 345 L HA 0.704 5.080 4.340 0.060 0.000 0.287 345 L C -0.095 176.901 176.870 0.209 0.000 1.022 345 L CA 0.373 55.447 54.840 0.389 0.000 0.814 345 L CB 1.780 44.020 42.059 0.301 0.000 1.217 345 L HN 0.553 nan 8.230 nan 0.000 0.420 346 T N 3.857 118.480 114.554 0.115 0.000 2.832 346 T HA 0.338 4.724 4.350 0.060 0.000 0.313 346 T C 0.312 174.934 174.700 -0.131 0.000 1.035 346 T CA -0.224 61.825 62.100 -0.085 0.000 0.950 346 T CB 0.024 68.710 68.868 -0.304 0.000 0.984 346 T HN 0.829 nan 8.240 nan 0.000 0.486 347 T N 1.676 116.071 114.554 -0.266 0.000 2.788 347 T HA 0.262 4.649 4.350 0.060 0.000 0.287 347 T C -1.696 172.860 174.700 -0.239 0.000 1.007 347 T CA -1.791 60.109 62.100 -0.334 0.000 1.005 347 T CB 0.644 69.050 68.868 -0.769 0.000 1.012 347 T HN 0.047 nan 8.240 nan 0.000 0.530 348 P HA 0.002 nan 4.420 nan 0.000 0.221 348 P C 0.928 178.183 177.300 -0.075 0.000 1.145 348 P CA 1.159 64.238 63.100 -0.035 0.000 0.795 348 P CB 0.100 31.809 31.700 0.015 0.000 0.775 349 K N -2.472 117.797 120.400 -0.218 0.000 2.412 349 K HA 0.219 4.575 4.320 0.060 0.000 0.202 349 K C 0.177 176.758 176.600 -0.032 0.000 1.102 349 K CA 0.132 56.333 56.287 -0.142 0.000 1.027 349 K CB 0.714 33.178 32.500 -0.060 0.000 0.931 349 K HN 0.197 nan 8.250 nan 0.000 0.557 350 F N -2.438 117.491 119.950 -0.036 0.000 2.926 350 F HA 0.429 4.987 4.527 0.051 0.000 0.321 350 F C -1.450 174.381 175.800 0.052 0.000 1.168 350 F CA -1.115 56.901 58.000 0.026 0.000 0.890 350 F CB 1.008 39.992 39.000 -0.028 0.000 1.357 350 F HN -0.401 nan 8.300 nan 0.000 0.468 351 T N 1.635 116.506 114.554 0.528 0.000 2.881 351 T HA 0.617 5.003 4.350 0.060 0.000 0.290 351 T C -1.618 173.454 174.700 0.619 0.000 1.000 351 T CA -0.675 61.666 62.100 0.403 0.000 0.978 351 T CB 1.727 70.678 68.868 0.137 0.000 0.997 351 T HN 0.865 nan 8.240 nan 0.000 0.443 352 V N 2.551 122.823 119.914 0.596 0.000 2.513 352 V HA 0.940 5.096 4.120 0.060 0.000 0.299 352 V C -0.812 175.736 176.094 0.757 0.000 1.035 352 V CA -0.499 62.178 62.300 0.629 0.000 0.889 352 V CB 1.184 33.335 31.823 0.547 0.000 0.988 352 V HN 1.128 nan 8.190 nan 0.000 0.440 353 A N 6.070 129.359 122.820 0.781 0.000 2.454 353 A HA 1.055 5.411 4.320 0.060 0.000 0.302 353 A C -1.199 176.843 177.584 0.763 0.000 1.079 353 A CA -0.261 52.159 52.037 0.639 0.000 0.731 353 A CB 1.429 20.656 19.000 0.379 0.000 1.299 353 A HN 1.911 nan 8.150 nan 0.000 0.413 354 W N 0.173 121.562 121.300 0.149 0.000 2.799 354 W HA 0.602 5.301 4.660 0.064 0.000 0.416 354 W C -1.993 174.560 176.519 0.056 0.000 1.108 354 W CA -0.675 56.748 57.345 0.129 0.000 1.169 354 W CB 0.387 29.954 29.460 0.178 0.000 1.471 354 W HN 0.471 nan 8.180 nan 0.000 0.586 355 D N 0.960 121.443 120.400 0.139 0.000 2.225 355 D HA 0.161 4.838 4.640 0.060 0.000 0.248 355 D C -1.282 175.019 176.300 0.001 0.000 1.096 355 D CA 0.194 54.205 54.000 0.017 0.000 0.863 355 D CB 1.174 42.039 40.800 0.108 0.000 1.156 355 D HN 0.509 nan 8.370 nan 0.000 0.450 356 W N 3.853 125.025 121.300 -0.213 0.000 2.338 356 W HA 0.422 5.117 4.660 0.059 0.000 0.307 356 W C -0.810 175.701 176.519 -0.014 0.000 1.167 356 W CA -0.544 56.722 57.345 -0.133 0.000 1.208 356 W CB 0.655 30.014 29.460 -0.169 0.000 1.228 356 W HN 0.186 nan 8.180 nan 0.000 0.499 357 V N 4.330 123.732 119.914 -0.853 0.000 2.962 357 V HA 0.683 4.840 4.120 0.060 0.000 0.313 357 V C -2.542 172.919 176.094 -1.055 0.000 1.099 357 V CA -3.197 58.609 62.300 -0.824 0.000 0.971 357 V CB 1.344 32.995 31.823 -0.286 0.000 1.028 357 V HN 0.504 nan 8.190 nan 0.000 0.430 358 P HA 0.093 nan 4.420 nan 0.000 0.267 358 P C 0.361 177.409 177.300 -0.420 0.000 1.195 358 P CA 0.189 62.981 63.100 -0.514 0.000 0.773 358 P CB 0.667 32.200 31.700 -0.279 0.000 0.837 359 K N 2.654 122.729 120.400 -0.542 0.000 1.974 359 K HA -0.093 4.263 4.320 0.060 0.000 0.211 359 K C 1.947 178.120 176.600 -0.712 0.000 1.039 359 K CA 1.023 56.633 56.287 -1.127 0.000 0.947 359 K CB -0.165 31.770 32.500 -0.942 0.000 0.735 359 K HN 0.192 nan 8.250 nan 0.000 0.441 360 R N 0.186 120.437 120.500 -0.415 0.000 2.113 360 R HA -0.144 4.232 4.340 0.060 0.000 0.244 360 R C -0.767 175.411 176.300 -0.204 0.000 1.142 360 R CA 1.967 57.909 56.100 -0.264 0.000 0.953 360 R CB -1.326 28.874 30.300 -0.165 0.000 0.860 360 R HN 0.326 nan 8.270 nan 0.000 0.438 361 P HA 0.011 nan 4.420 nan 0.000 0.230 361 P C 0.523 177.774 177.300 -0.081 0.000 1.158 361 P CA 1.203 64.239 63.100 -0.106 0.000 0.769 361 P CB 0.298 31.942 31.700 -0.094 0.000 0.807 362 S N -1.465 114.161 115.700 -0.124 0.000 2.497 362 S HA 0.126 4.633 4.470 0.060 0.000 0.221 362 S C 0.917 175.527 174.600 0.016 0.000 1.037 362 S CA 0.040 58.238 58.200 -0.002 0.000 0.920 362 S CB -0.048 63.218 63.200 0.109 0.000 0.800 362 S HN 0.033 nan 8.310 nan 0.000 0.505 363 V N -1.885 117.927 119.914 -0.170 0.000 3.155 363 V HA 0.908 5.064 4.120 0.060 0.000 0.313 363 V C -0.700 175.342 176.094 -0.088 0.000 1.162 363 V CA -1.082 61.111 62.300 -0.178 0.000 1.048 363 V CB 1.457 32.944 31.823 -0.558 0.000 1.092 363 V HN 0.179 nan 8.190 nan 0.000 0.447 364 c N 0.798 119.400 118.600 0.003 0.000 3.302 364 c HA 0.623 5.229 4.570 0.060 0.000 0.347 364 c C 1.112 175.260 174.090 0.097 0.000 1.218 364 c CA 0.523 56.876 56.329 0.040 0.000 1.234 364 c CB 1.277 43.808 42.510 0.034 0.000 1.551 364 c HN 1.448 nan 8.230 nan 0.000 0.501 365 T N 0.714 115.301 114.554 0.055 0.000 3.107 365 T HA 0.348 4.734 4.350 0.060 0.000 0.249 365 T C 0.402 175.099 174.700 -0.005 0.000 1.096 365 T CA 0.158 62.263 62.100 0.008 0.000 1.012 365 T CB -0.102 68.713 68.868 -0.090 0.000 0.977 365 T HN 0.558 nan 8.240 nan 0.000 0.527 366 M N 1.104 120.726 119.600 0.037 0.000 2.631 366 M HA 0.487 5.003 4.480 0.060 0.000 0.288 366 M C -1.196 175.212 176.300 0.180 0.000 1.260 366 M CA -0.389 54.960 55.300 0.081 0.000 0.842 366 M CB 2.175 34.807 32.600 0.053 0.000 1.743 366 M HN -0.076 nan 8.290 nan 0.000 0.461 367 T N 1.118 115.820 114.554 0.247 0.000 2.937 367 T HA 0.265 4.651 4.350 0.060 0.000 0.297 367 T C -0.405 174.438 174.700 0.238 0.000 0.991 367 T CA -0.777 61.467 62.100 0.240 0.000 0.990 367 T CB 1.807 70.760 68.868 0.141 0.000 0.991 367 T HN 0.594 nan 8.240 nan 0.000 0.440 368 K N 2.389 122.859 120.400 0.117 0.000 2.466 368 K HA -0.048 4.309 4.320 0.060 0.000 0.278 368 K C 0.012 176.567 176.600 -0.075 0.000 1.048 368 K CA 0.173 56.226 56.287 -0.391 0.000 1.088 368 K CB 0.319 32.653 32.500 -0.277 0.000 0.884 368 K HN 0.729 nan 8.250 nan 0.000 0.478 369 W N 3.897 125.014 121.300 -0.304 0.000 2.922 369 W HA 0.147 4.843 4.660 0.061 0.000 0.260 369 W C -0.276 176.173 176.519 -0.117 0.000 1.088 369 W CA 0.562 57.834 57.345 -0.123 0.000 1.694 369 W CB 0.697 30.145 29.460 -0.019 0.000 1.064 369 W HN 0.468 nan 8.180 nan 0.000 0.611 370 Q N 1.282 120.883 119.800 -0.332 0.000 2.372 370 Q HA 0.256 4.632 4.340 0.060 0.000 0.273 370 Q C -1.394 174.437 176.000 -0.282 0.000 1.078 370 Q CA -0.459 55.053 55.803 -0.486 0.000 0.806 370 Q CB 2.062 30.361 28.738 -0.731 0.000 1.332 370 Q HN 0.181 nan 8.270 nan 0.000 0.435 371 E N 1.429 121.492 120.200 -0.228 0.000 2.081 371 E HA 0.380 4.767 4.350 0.060 0.000 0.276 371 E C -0.781 175.750 176.600 -0.116 0.000 0.950 371 E CA -0.442 55.873 56.400 -0.141 0.000 0.776 371 E CB 1.628 31.264 29.700 -0.106 0.000 1.094 371 E HN 0.148 nan 8.360 nan 0.000 0.402 372 V N 4.321 124.191 119.914 -0.072 0.000 2.347 372 V HA 0.026 4.183 4.120 0.060 0.000 0.280 372 V C 0.290 176.381 176.094 -0.004 0.000 1.021 372 V CA -0.431 61.847 62.300 -0.038 0.000 0.847 372 V CB 1.287 33.112 31.823 0.004 0.000 0.990 372 V HN 0.630 nan 8.190 nan 0.000 0.444 373 D N 2.617 123.010 120.400 -0.011 0.000 2.084 373 D HA -0.066 4.610 4.640 0.060 0.000 0.196 373 D C 0.710 177.026 176.300 0.027 0.000 0.985 373 D CA 1.430 55.432 54.000 0.004 0.000 0.826 373 D CB 0.286 41.081 40.800 -0.007 0.000 0.978 373 D HN 0.665 nan 8.370 nan 0.000 0.456 374 E N 0.029 120.249 120.200 0.034 0.000 2.121 374 E HA 0.284 4.670 4.350 0.060 0.000 0.255 374 E C -0.793 175.867 176.600 0.100 0.000 0.906 374 E CA -0.460 55.975 56.400 0.059 0.000 0.745 374 E CB 1.311 31.036 29.700 0.041 0.000 1.155 374 E HN -0.005 nan 8.360 nan 0.000 0.424 375 M N 4.352 124.060 119.600 0.180 0.000 2.167 375 M HA 0.325 4.841 4.480 0.060 0.000 0.333 375 M C -1.732 174.758 176.300 0.317 0.000 1.030 375 M CA -0.436 55.029 55.300 0.274 0.000 0.963 375 M CB 0.568 33.402 32.600 0.390 0.000 1.589 375 M HN 0.354 nan 8.290 nan 0.000 0.431 376 L N 4.211 125.552 121.223 0.196 0.000 2.379 376 L HA 0.669 5.045 4.340 0.060 0.000 0.269 376 L C -0.035 176.840 176.870 0.009 0.000 1.084 376 L CA -0.791 54.136 54.840 0.145 0.000 0.802 376 L CB 1.403 43.515 42.059 0.089 0.000 1.175 376 L HN 0.713 nan 8.230 nan 0.000 0.448 377 R N 1.214 121.673 120.500 -0.068 0.000 2.564 377 R HA 0.578 4.954 4.340 0.060 0.000 0.284 377 R C -1.605 174.572 176.300 -0.205 0.000 1.031 377 R CA -0.314 55.536 56.100 -0.417 0.000 0.904 377 R CB 2.087 31.838 30.300 -0.914 0.000 1.199 377 R HN 0.817 nan 8.270 nan 0.000 0.443 378 S N 1.858 117.456 115.700 -0.170 0.000 2.572 378 S HA 0.187 4.693 4.470 0.060 0.000 0.274 378 S C -0.871 173.782 174.600 0.087 0.000 1.150 378 S CA -1.020 57.118 58.200 -0.103 0.000 0.944 378 S CB 1.712 64.716 63.200 -0.326 0.000 1.071 378 S HN 0.724 nan 8.310 nan 0.000 0.479 379 E N 1.794 122.075 120.200 0.135 0.000 2.376 379 E HA 0.200 4.586 4.350 0.060 0.000 0.266 379 E C -1.567 175.098 176.600 0.108 0.000 1.009 379 E CA -0.134 56.339 56.400 0.121 0.000 0.902 379 E CB 0.451 30.180 29.700 0.049 0.000 0.972 379 E HN 0.733 nan 8.360 nan 0.000 0.439 380 Y N 3.158 123.427 120.300 -0.052 0.000 2.283 380 Y HA 0.310 4.896 4.550 0.061 0.000 0.329 380 Y C 0.045 175.923 175.900 -0.037 0.000 1.181 380 Y CA 0.316 58.392 58.100 -0.038 0.000 1.283 380 Y CB 1.042 39.493 38.460 -0.014 0.000 1.186 380 Y HN 0.754 nan 8.280 nan 0.000 0.436 381 G N 2.825 111.563 108.800 -0.102 0.000 2.248 381 G HA2 0.050 4.047 3.960 0.060 0.000 0.263 381 G HA3 0.050 4.047 3.960 0.060 0.000 0.263 381 G C 0.967 175.851 174.900 -0.027 0.000 1.082 381 G CA 0.571 45.644 45.100 -0.045 0.000 0.863 381 G HN 2.035 nan 8.290 nan 0.000 0.495 382 G N -2.190 106.561 108.800 -0.082 0.000 2.166 382 G HA2 -0.004 3.992 3.960 0.060 0.000 0.260 382 G HA3 -0.004 3.992 3.960 0.060 0.000 0.260 382 G C 0.505 175.320 174.900 -0.142 0.000 0.986 382 G CA 1.136 46.171 45.100 -0.108 0.000 0.683 382 G HN 1.828 nan 8.290 nan 0.000 0.527 383 S N -1.429 114.192 115.700 -0.131 0.000 2.740 383 S HA 0.889 5.396 4.470 0.060 0.000 0.300 383 S C -1.128 173.368 174.600 -0.174 0.000 1.147 383 S CA -0.714 57.416 58.200 -0.118 0.000 0.871 383 S CB 1.578 64.810 63.200 0.053 0.000 1.173 383 S HN 0.265 nan 8.310 nan 0.000 0.510 384 F N 1.280 121.244 119.950 0.025 0.000 2.522 384 F HA 0.562 5.125 4.527 0.060 0.000 0.324 384 F C 0.343 176.074 175.800 -0.115 0.000 1.077 384 F CA -1.086 56.822 58.000 -0.153 0.000 0.944 384 F CB 1.493 40.294 39.000 -0.332 0.000 1.175 384 F HN 0.279 nan 8.300 nan 0.000 0.468 385 R N 2.888 123.381 120.500 -0.012 0.000 2.312 385 R HA 0.338 4.714 4.340 0.060 0.000 0.310 385 R C -1.579 174.642 176.300 -0.132 0.000 1.064 385 R CA -0.432 55.678 56.100 0.017 0.000 0.983 385 R CB 0.587 30.925 30.300 0.062 0.000 1.139 385 R HN 0.371 nan 8.270 nan 0.000 0.536 386 F N 2.089 122.126 119.950 0.145 0.000 2.406 386 F HA 0.143 4.707 4.527 0.061 0.000 0.358 386 F C 0.727 176.661 175.800 0.223 0.000 1.161 386 F CA -0.384 57.690 58.000 0.123 0.000 1.185 386 F CB 0.679 39.755 39.000 0.126 0.000 1.421 386 F HN 0.292 nan 8.300 nan 0.000 0.576 387 S N 0.716 116.581 115.700 0.274 0.000 2.525 387 S HA 0.635 5.142 4.470 0.060 0.000 0.290 387 S C -0.177 174.553 174.600 0.218 0.000 1.152 387 S CA -0.836 57.526 58.200 0.271 0.000 1.072 387 S CB 1.856 65.242 63.200 0.311 0.000 1.027 387 S HN 0.388 nan 8.310 nan 0.000 0.500 388 S N 0.721 116.490 115.700 0.114 0.000 2.707 388 S HA 0.274 4.780 4.470 0.060 0.000 0.312 388 S C 0.303 174.819 174.600 -0.139 0.000 1.116 388 S CA -0.667 57.539 58.200 0.011 0.000 1.078 388 S CB 1.226 64.413 63.200 -0.021 0.000 0.997 388 S HN 0.840 nan 8.310 nan 0.000 0.477 389 D N 5.079 125.480 120.400 0.001 0.000 2.144 389 D HA -0.048 4.629 4.640 0.060 0.000 0.199 389 D C 1.830 178.038 176.300 -0.154 0.000 0.984 389 D CA 1.789 55.790 54.000 0.002 0.000 0.834 389 D CB 0.036 40.889 40.800 0.088 0.000 0.955 389 D HN 0.642 nan 8.370 nan 0.000 0.465 390 A N 1.015 123.753 122.820 -0.137 0.000 1.821 390 A HA -0.110 4.246 4.320 0.060 0.000 0.215 390 A C 2.294 179.740 177.584 -0.231 0.000 1.216 390 A CA 1.814 53.761 52.037 -0.150 0.000 0.615 390 A CB -1.234 17.695 19.000 -0.119 0.000 0.862 390 A HN 0.490 nan 8.150 nan 0.000 0.450 391 I N -1.395 119.018 120.570 -0.262 0.000 3.334 391 I HA 0.057 4.264 4.170 0.060 0.000 0.282 391 I C 0.609 176.453 176.117 -0.455 0.000 1.313 391 I CA 0.821 61.939 61.300 -0.304 0.000 1.396 391 I CB -0.997 36.833 38.000 -0.284 0.000 1.054 391 I HN 0.449 nan 8.210 nan 0.000 0.495 392 S N 1.201 116.485 115.700 -0.693 0.000 3.484 392 S HA -0.186 4.320 4.470 0.060 0.000 0.384 392 S C 0.298 174.172 174.600 -1.210 0.000 0.932 392 S CA 0.719 58.049 58.200 -1.449 0.000 1.293 392 S CB -2.965 59.631 63.200 -1.006 0.000 0.919 392 S HN 0.956 nan 8.310 nan 0.000 0.540 393 T N -1.950 112.085 114.554 -0.866 0.000 2.912 393 T HA 0.730 5.116 4.350 0.060 0.000 0.299 393 T C -0.652 173.845 174.700 -0.338 0.000 1.052 393 T CA -0.505 61.253 62.100 -0.569 0.000 0.996 393 T CB 2.311 70.811 68.868 -0.612 0.000 1.070 393 T HN 0.398 nan 8.240 nan 0.000 0.465 394 T N 3.129 117.502 114.554 -0.302 0.000 2.840 394 T HA 0.601 4.988 4.350 0.060 0.000 0.287 394 T C -0.913 173.653 174.700 -0.223 0.000 0.991 394 T CA -0.395 61.660 62.100 -0.075 0.000 0.964 394 T CB 0.282 69.223 68.868 0.121 0.000 0.954 394 T HN 0.522 nan 8.240 nan 0.000 0.438 395 F N 1.495 121.544 119.950 0.166 0.000 2.408 395 F HA 0.658 5.221 4.527 0.060 0.000 0.325 395 F C 1.106 177.102 175.800 0.328 0.000 1.082 395 F CA -0.647 57.483 58.000 0.216 0.000 1.032 395 F CB 1.469 40.589 39.000 0.201 0.000 1.259 395 F HN 0.331 nan 8.300 nan 0.000 0.503 396 T N -0.082 114.790 114.554 0.530 0.000 2.886 396 T HA 0.642 5.029 4.350 0.060 0.000 0.292 396 T C -0.340 174.615 174.700 0.426 0.000 1.012 396 T CA -0.846 61.508 62.100 0.423 0.000 0.982 396 T CB 1.811 70.858 68.868 0.298 0.000 1.018 396 T HN 0.837 nan 8.240 nan 0.000 0.451 397 T N 0.032 114.833 114.554 0.411 0.000 2.618 397 T HA 0.558 4.945 4.350 0.060 0.000 0.293 397 T C -1.116 173.742 174.700 0.264 0.000 1.093 397 T CA -0.920 61.402 62.100 0.371 0.000 1.061 397 T CB 1.082 70.249 68.868 0.498 0.000 1.498 397 T HN 0.332 nan 8.240 nan 0.000 0.494 398 N N 0.217 119.077 118.700 0.267 0.000 2.476 398 N HA 0.435 5.211 4.740 0.060 0.000 0.275 398 N C 1.092 176.688 175.510 0.143 0.000 1.190 398 N CA -0.743 52.405 53.050 0.162 0.000 0.977 398 N CB 1.022 39.613 38.487 0.174 0.000 1.200 398 N HN 0.575 nan 8.380 nan 0.000 0.515 399 L N -0.304 120.888 121.223 -0.052 0.000 2.456 399 L HA -0.046 4.330 4.340 0.060 0.000 0.224 399 L C 1.223 178.269 176.870 0.294 0.000 1.148 399 L CA 0.845 55.587 54.840 -0.165 0.000 0.825 399 L CB -0.168 41.749 42.059 -0.237 0.000 0.937 399 L HN 0.472 nan 8.230 nan 0.000 0.450 400 T N -0.549 114.202 114.554 0.327 0.000 2.902 400 T HA 0.163 4.549 4.350 0.060 0.000 0.283 400 T C -0.016 174.887 174.700 0.338 0.000 1.009 400 T CA -0.610 61.682 62.100 0.320 0.000 1.051 400 T CB 1.486 70.457 68.868 0.171 0.000 0.999 400 T HN 0.131 nan 8.240 nan 0.000 0.474 401 E N 2.172 122.408 120.200 0.060 0.000 2.409 401 E HA 0.121 4.507 4.350 0.060 0.000 0.257 401 E C -1.296 175.292 176.600 -0.019 0.000 1.150 401 E CA -0.394 55.805 56.400 -0.335 0.000 0.942 401 E CB 0.418 29.911 29.700 -0.345 0.000 0.979 401 E HN 0.642 nan 8.360 nan 0.000 0.447 402 Y N 2.706 122.934 120.300 -0.121 0.000 2.331 402 Y HA 0.344 4.930 4.550 0.060 0.000 0.338 402 Y C -2.229 173.657 175.900 -0.024 0.000 0.992 402 Y CA -2.743 55.346 58.100 -0.019 0.000 1.121 402 Y CB 1.297 39.769 38.460 0.020 0.000 1.184 402 Y HN 0.374 nan 8.280 nan 0.000 0.469 403 P HA 0.098 nan 4.420 nan 0.000 0.269 403 P C 0.498 177.561 177.300 -0.396 0.000 1.252 403 P CA 0.361 63.219 63.100 -0.404 0.000 0.780 403 P CB 0.624 32.085 31.700 -0.398 0.000 0.829 404 L N 2.046 123.156 121.223 -0.188 0.000 2.131 404 L HA -0.200 4.177 4.340 0.060 0.000 0.210 404 L C 2.285 179.074 176.870 -0.136 0.000 1.092 404 L CA 1.819 56.565 54.840 -0.157 0.000 0.759 404 L CB -0.882 41.039 42.059 -0.229 0.000 0.903 404 L HN 0.392 nan 8.230 nan 0.000 0.435 405 S N -0.071 115.546 115.700 -0.138 0.000 2.419 405 S HA -0.270 4.237 4.470 0.060 0.000 0.235 405 S C 1.991 176.531 174.600 -0.099 0.000 1.019 405 S CA 0.956 59.094 58.200 -0.103 0.000 0.982 405 S CB -0.515 62.630 63.200 -0.091 0.000 0.789 405 S HN 0.432 nan 8.310 nan 0.000 0.490 406 R N 1.005 121.413 120.500 -0.153 0.000 2.328 406 R HA 0.185 4.561 4.340 0.060 0.000 0.200 406 R C -0.724 175.561 176.300 -0.024 0.000 0.983 406 R CA 0.088 56.117 56.100 -0.119 0.000 1.062 406 R CB -0.099 30.056 30.300 -0.242 0.000 0.956 406 R HN 0.316 nan 8.270 nan 0.000 0.479 407 V N 1.428 121.332 119.914 -0.018 0.000 2.398 407 V HA 0.085 4.241 4.120 0.060 0.000 0.286 407 V C -0.511 175.584 176.094 0.001 0.000 1.026 407 V CA -0.917 61.392 62.300 0.015 0.000 0.868 407 V CB 1.567 33.394 31.823 0.008 0.000 0.982 407 V HN 0.047 nan 8.190 nan 0.000 0.443 408 D N 4.900 125.315 120.400 0.025 0.000 2.339 408 D HA 0.377 5.053 4.640 0.060 0.000 0.256 408 D C 0.424 176.762 176.300 0.062 0.000 1.214 408 D CA 0.173 54.208 54.000 0.059 0.000 0.877 408 D CB 0.179 41.056 40.800 0.129 0.000 1.111 408 D HN 0.537 nan 8.370 nan 0.000 0.478 409 L N 3.128 124.369 121.223 0.030 0.000 3.671 409 L HA -0.165 4.211 4.340 0.060 0.000 0.609 409 L C 0.475 177.331 176.870 -0.023 0.000 1.251 409 L CA 0.480 55.321 54.840 0.003 0.000 0.934 409 L CB -1.317 40.778 42.059 0.059 0.000 1.496 409 L HN 0.642 nan 8.230 nan 0.000 0.854 410 G N -0.416 108.351 108.800 -0.056 0.000 4.766 410 G HA2 0.508 4.504 3.960 0.060 0.000 0.331 410 G HA3 0.508 4.504 3.960 0.060 0.000 0.331 410 G C 0.187 175.019 174.900 -0.114 0.000 1.473 410 G CA -0.264 44.781 45.100 -0.091 0.000 1.076 410 G HN 0.349 nan 8.290 nan 0.000 0.544 411 D N 0.184 120.531 120.400 -0.089 0.000 2.394 411 D HA -0.035 4.641 4.640 0.060 0.000 0.226 411 D C 2.715 178.978 176.300 -0.061 0.000 0.990 411 D CA 0.859 54.810 54.000 -0.081 0.000 0.902 411 D CB 0.031 40.788 40.800 -0.073 0.000 1.038 411 D HN 0.445 nan 8.370 nan 0.000 0.499 412 c N 0.605 119.183 118.600 -0.036 0.000 2.409 412 c HA 0.007 4.614 4.570 0.060 0.000 0.284 412 c C 2.476 176.584 174.090 0.031 0.000 1.354 412 c CA -0.219 56.121 56.329 0.018 0.000 1.787 412 c CB -1.495 41.050 42.510 0.058 0.000 1.900 412 c HN 0.174 nan 8.230 nan 0.000 0.520 413 I N 2.374 122.886 120.570 -0.096 0.000 2.054 413 I HA -0.032 4.175 4.170 0.060 0.000 0.231 413 I C 3.110 179.164 176.117 -0.104 0.000 1.052 413 I CA 1.966 63.100 61.300 -0.276 0.000 1.320 413 I CB -1.427 36.230 38.000 -0.572 0.000 1.063 413 I HN 0.414 nan 8.210 nan 0.000 0.393 414 G N 0.825 109.541 108.800 -0.140 0.000 2.505 414 G HA2 -0.343 3.653 3.960 0.060 0.000 0.220 414 G HA3 -0.343 3.653 3.960 0.060 0.000 0.220 414 G C 1.691 176.630 174.900 0.065 0.000 1.145 414 G CA 1.305 46.400 45.100 -0.009 0.000 0.761 414 G HN 0.369 nan 8.290 nan 0.000 0.571 415 K N 0.290 120.714 120.400 0.041 0.000 1.978 415 K HA -0.154 4.202 4.320 0.060 0.000 0.214 415 K C 2.098 178.757 176.600 0.098 0.000 1.049 415 K CA 1.805 58.127 56.287 0.059 0.000 0.939 415 K CB -0.258 32.266 32.500 0.040 0.000 0.721 415 K HN 0.148 nan 8.250 nan 0.000 0.441 416 D N 0.378 120.863 120.400 0.141 0.000 2.178 416 D HA -0.140 4.537 4.640 0.060 0.000 0.201 416 D C 1.773 178.198 176.300 0.207 0.000 0.980 416 D CA 1.232 55.338 54.000 0.176 0.000 0.842 416 D CB -0.229 40.718 40.800 0.245 0.000 0.948 416 D HN 0.411 nan 8.370 nan 0.000 0.472 417 A N 1.583 124.573 122.820 0.283 0.000 1.835 417 A HA -0.199 4.157 4.320 0.060 0.000 0.215 417 A C 2.216 179.902 177.584 0.169 0.000 1.199 417 A CA 1.403 53.617 52.037 0.296 0.000 0.615 417 A CB -0.551 18.674 19.000 0.375 0.000 0.838 417 A HN 0.104 nan 8.150 nan 0.000 0.444 418 R N -0.567 120.016 120.500 0.138 0.000 2.094 418 R HA -0.205 4.171 4.340 0.060 0.000 0.239 418 R C 2.079 178.418 176.300 0.065 0.000 1.137 418 R CA 1.700 57.850 56.100 0.085 0.000 0.943 418 R CB -0.686 29.657 30.300 0.071 0.000 0.850 418 R HN 0.672 nan 8.270 nan 0.000 0.433 419 D N 0.395 120.836 120.400 0.069 0.000 2.133 419 D HA -0.201 4.476 4.640 0.060 0.000 0.192 419 D C 1.753 178.084 176.300 0.051 0.000 1.001 419 D CA 1.995 56.027 54.000 0.055 0.000 0.844 419 D CB -0.087 40.746 40.800 0.055 0.000 0.944 419 D HN 0.273 nan 8.370 nan 0.000 0.447 420 A N 0.013 122.869 122.820 0.060 0.000 1.841 420 A HA -0.102 4.254 4.320 0.060 0.000 0.214 420 A C 2.499 180.110 177.584 0.046 0.000 1.195 420 A CA 1.821 53.885 52.037 0.045 0.000 0.611 420 A CB -0.742 18.282 19.000 0.039 0.000 0.835 420 A HN 0.320 nan 8.150 nan 0.000 0.443 421 M N -0.152 119.479 119.600 0.051 0.000 2.073 421 M HA -0.214 4.302 4.480 0.060 0.000 0.258 421 M C 1.496 177.827 176.300 0.052 0.000 1.070 421 M CA 1.994 57.317 55.300 0.039 0.000 1.103 421 M CB -0.794 31.815 32.600 0.016 0.000 1.321 421 M HN 0.405 nan 8.290 nan 0.000 0.405 422 D N -0.530 119.891 120.400 0.036 0.000 2.309 422 D HA -0.151 4.525 4.640 0.060 0.000 0.212 422 D C 1.954 178.308 176.300 0.090 0.000 0.968 422 D CA 0.978 55.002 54.000 0.040 0.000 0.882 422 D CB -0.231 40.579 40.800 0.017 0.000 0.918 422 D HN 0.447 nan 8.370 nan 0.000 0.503 423 R N 0.729 121.273 120.500 0.074 0.000 2.066 423 R HA 0.006 4.382 4.340 0.060 0.000 0.224 423 R C 2.413 178.756 176.300 0.072 0.000 1.122 423 R CA 0.401 56.540 56.100 0.065 0.000 0.974 423 R CB -0.100 30.224 30.300 0.040 0.000 0.871 423 R HN 0.030 nan 8.270 nan 0.000 0.435 424 I N 0.685 121.298 120.570 0.072 0.000 2.163 424 I HA -0.245 3.961 4.170 0.060 0.000 0.240 424 I C 2.246 178.409 176.117 0.077 0.000 1.081 424 I CA 1.293 62.626 61.300 0.054 0.000 1.353 424 I CB -0.490 37.535 38.000 0.041 0.000 1.054 424 I HN 0.176 nan 8.210 nan 0.000 0.407 425 F N 2.240 122.179 119.950 -0.019 0.000 2.045 425 F HA -0.396 4.168 4.527 0.060 0.000 0.297 425 F C 2.536 178.323 175.800 -0.021 0.000 1.114 425 F CA 2.075 60.064 58.000 -0.018 0.000 1.207 425 F CB -0.455 38.533 39.000 -0.021 0.000 0.964 425 F HN 0.045 nan 8.300 nan 0.000 0.486 426 A N 0.557 123.476 122.820 0.165 0.000 1.917 426 A HA -0.261 4.096 4.320 0.060 0.000 0.219 426 A C 2.398 179.920 177.584 -0.102 0.000 1.182 426 A CA 1.980 54.036 52.037 0.032 0.000 0.633 426 A CB -1.000 18.079 19.000 0.132 0.000 0.819 426 A HN 0.593 nan 8.150 nan 0.000 0.448 427 R N -0.670 119.790 120.500 -0.066 0.000 2.061 427 R HA -0.108 4.268 4.340 0.060 0.000 0.230 427 R C 2.320 178.546 176.300 -0.124 0.000 1.140 427 R CA 1.849 57.905 56.100 -0.074 0.000 0.940 427 R CB -0.297 29.977 30.300 -0.042 0.000 0.839 427 R HN 0.546 nan 8.270 nan 0.000 0.429 428 R N -0.696 119.716 120.500 -0.148 0.000 1.357 428 R HA 0.107 4.483 4.340 0.060 0.000 0.099 428 R C 1.100 177.229 176.300 -0.285 0.000 1.519 428 R CA 0.745 56.745 56.100 -0.167 0.000 1.981 428 R CB -1.721 28.515 30.300 -0.108 0.000 1.068 428 R HN 0.417 nan 8.270 nan 0.000 0.638 429 Y N 2.582 122.710 120.300 -0.288 0.000 2.691 429 Y HA 0.238 4.824 4.550 0.060 0.000 0.359 429 Y C 0.936 176.332 175.900 -0.840 0.000 1.292 429 Y CA 0.140 57.989 58.100 -0.417 0.000 1.822 429 Y CB -1.291 37.055 38.460 -0.190 0.000 1.481 429 Y HN 0.773 nan 8.280 nan 0.000 0.461 430 N N 1.147 119.336 118.700 -0.852 0.000 2.193 430 N HA 0.361 5.137 4.740 0.060 0.000 0.210 430 N C 0.846 176.076 175.510 -0.467 0.000 1.215 430 N CA 0.905 53.192 53.050 -1.271 0.000 0.901 430 N CB 0.353 38.381 38.487 -0.766 0.000 1.060 430 N HN 0.645 nan 8.380 nan 0.000 0.508 431 A N 0.097 122.731 122.820 -0.311 0.000 2.140 431 A HA 0.161 4.517 4.320 0.060 0.000 0.199 431 A C 1.912 179.413 177.584 -0.138 0.000 1.416 431 A CA 0.942 52.895 52.037 -0.139 0.000 1.018 431 A CB -0.622 18.308 19.000 -0.117 0.000 1.117 431 A HN 0.338 nan 8.150 nan 0.000 0.480 432 T N -1.692 112.701 114.554 -0.268 0.000 2.904 432 T HA 0.058 4.444 4.350 0.060 0.000 0.267 432 T C 0.762 175.338 174.700 -0.207 0.000 1.059 432 T CA 1.193 63.102 62.100 -0.320 0.000 1.137 432 T CB -0.469 68.051 68.868 -0.580 0.000 0.879 432 T HN 0.593 nan 8.240 nan 0.000 0.467 433 H N 0.309 119.367 119.070 -0.021 0.000 2.771 433 H HA 0.674 5.266 4.556 0.060 0.000 0.367 433 H C -0.976 174.442 175.328 0.150 0.000 1.172 433 H CA -1.554 54.517 56.048 0.037 0.000 1.186 433 H CB 1.773 31.562 29.762 0.045 0.000 1.790 433 H HN 0.309 nan 8.280 nan 0.000 0.556 434 I N -1.991 118.688 120.570 0.182 0.000 2.686 434 I HA 0.376 4.582 4.170 0.060 0.000 0.295 434 I C -0.859 175.174 176.117 -0.141 0.000 1.114 434 I CA -1.113 60.206 61.300 0.032 0.000 1.038 434 I CB 1.831 39.758 38.000 -0.120 0.000 1.238 434 I HN 0.321 nan 8.210 nan 0.000 0.420 435 K N 3.538 123.796 120.400 -0.237 0.000 2.412 435 K HA 0.379 4.735 4.320 0.060 0.000 0.281 435 K C -0.835 175.602 176.600 -0.272 0.000 1.027 435 K CA -0.405 55.728 56.287 -0.257 0.000 0.989 435 K CB 1.078 33.392 32.500 -0.310 0.000 0.935 435 K HN 0.513 nan 8.250 nan 0.000 0.475 436 V N 3.236 123.026 119.914 -0.207 0.000 2.259 436 V HA 0.287 4.443 4.120 0.060 0.000 0.267 436 V C 0.565 176.621 176.094 -0.064 0.000 1.051 436 V CA -0.227 61.975 62.300 -0.163 0.000 0.830 436 V CB -0.024 31.747 31.823 -0.087 0.000 1.080 436 V HN 1.094 nan 8.190 nan 0.000 0.467 437 G N 4.452 113.218 108.800 -0.057 0.000 2.888 437 G HA2 -0.149 3.847 3.960 0.060 0.000 0.441 437 G HA3 -0.149 3.847 3.960 0.060 0.000 0.441 437 G C -0.489 174.434 174.900 0.038 0.000 1.461 437 G CA -0.770 44.391 45.100 0.103 0.000 0.897 437 G HN 0.566 nan 8.290 nan 0.000 0.547 438 Q N 0.243 120.077 119.800 0.056 0.000 2.354 438 Q HA 0.421 4.797 4.340 0.060 0.000 0.244 438 Q C -1.797 174.186 176.000 -0.028 0.000 0.969 438 Q CA -1.364 54.446 55.803 0.012 0.000 0.885 438 Q CB -0.100 28.658 28.738 0.034 0.000 1.241 438 Q HN 0.444 nan 8.270 nan 0.000 0.461 439 P HA -0.069 nan 4.420 nan 0.000 0.270 439 P C -0.624 176.473 177.300 -0.339 0.000 1.216 439 P CA 0.477 63.465 63.100 -0.186 0.000 0.788 439 P CB 0.488 32.072 31.700 -0.195 0.000 0.883 440 Q N -0.240 119.295 119.800 -0.442 0.000 2.587 440 Q HA 0.606 4.982 4.340 0.060 0.000 0.293 440 Q C -1.308 174.235 176.000 -0.760 0.000 1.083 440 Q CA -0.589 54.928 55.803 -0.475 0.000 0.792 440 Q CB 1.857 30.584 28.738 -0.018 0.000 1.484 440 Q HN 0.374 nan 8.270 nan 0.000 0.446 441 Y N 0.099 120.334 120.300 -0.108 0.000 2.315 441 Y HA 0.436 5.022 4.550 0.061 0.000 0.324 441 Y C -1.407 174.386 175.900 -0.178 0.000 1.062 441 Y CA -0.775 57.292 58.100 -0.055 0.000 1.159 441 Y CB 1.028 39.476 38.460 -0.020 0.000 1.145 441 Y HN 0.476 nan 8.280 nan 0.000 0.442 442 Y N 2.263 122.665 120.300 0.169 0.000 2.528 442 Y HA 0.600 5.186 4.550 0.060 0.000 0.335 442 Y C -0.683 175.238 175.900 0.036 0.000 1.093 442 Y CA -1.404 56.788 58.100 0.153 0.000 1.134 442 Y CB 1.561 40.114 38.460 0.154 0.000 1.253 442 Y HN 0.468 nan 8.280 nan 0.000 0.478 443 L N 2.562 123.906 121.223 0.202 0.000 2.264 443 L HA 0.728 5.104 4.340 0.060 0.000 0.287 443 L C -0.260 176.685 176.870 0.126 0.000 1.039 443 L CA -0.588 54.251 54.840 -0.001 0.000 0.829 443 L CB -0.051 41.884 42.059 -0.206 0.000 1.211 443 L HN 0.700 nan 8.230 nan 0.000 0.427 444 A N 4.263 127.161 122.820 0.131 0.000 2.331 444 A HA 0.423 4.779 4.320 0.060 0.000 0.283 444 A C 0.118 177.915 177.584 0.354 0.000 1.142 444 A CA -0.554 51.652 52.037 0.281 0.000 0.812 444 A CB -0.194 18.978 19.000 0.287 0.000 1.074 444 A HN 0.852 nan 8.150 nan 0.000 0.497 445 N N 0.843 119.764 118.700 0.369 0.000 2.292 445 N HA 0.310 5.086 4.740 0.060 0.000 0.258 445 N C 1.176 176.954 175.510 0.446 0.000 1.261 445 N CA 1.747 54.984 53.050 0.311 0.000 0.845 445 N CB 0.338 38.990 38.487 0.274 0.000 1.064 445 N HN 1.177 nan 8.380 nan 0.000 0.471 446 G N 0.486 109.408 108.800 0.203 0.000 2.218 446 G HA2 -0.076 3.921 3.960 0.060 0.000 0.216 446 G HA3 -0.076 3.921 3.960 0.060 0.000 0.216 446 G C 0.660 175.455 174.900 -0.175 0.000 0.994 446 G CA 0.002 45.196 45.100 0.156 0.000 0.637 446 G HN 1.410 nan 8.290 nan 0.000 0.505 447 G N -0.962 107.764 108.800 -0.123 0.000 2.164 447 G HA2 -0.027 3.969 3.960 0.060 0.000 0.212 447 G HA3 -0.027 3.969 3.960 0.060 0.000 0.212 447 G C -0.034 174.621 174.900 -0.408 0.000 1.031 447 G CA 0.156 45.087 45.100 -0.282 0.000 0.730 447 G HN 1.208 nan 8.290 nan 0.000 0.501 448 F N -0.249 119.731 119.950 0.050 0.000 2.388 448 F HA 0.639 5.203 4.527 0.061 0.000 0.358 448 F C 0.530 176.294 175.800 -0.060 0.000 1.122 448 F CA -1.200 56.813 58.000 0.021 0.000 1.056 448 F CB 1.551 40.592 39.000 0.069 0.000 1.155 448 F HN 0.122 nan 8.300 nan 0.000 0.461 449 L N 5.317 126.616 121.223 0.127 0.000 2.371 449 L HA 0.508 4.885 4.340 0.060 0.000 0.272 449 L C -0.573 176.388 176.870 0.152 0.000 1.124 449 L CA -0.116 54.771 54.840 0.078 0.000 0.816 449 L CB 0.465 42.543 42.059 0.032 0.000 1.129 449 L HN 0.439 nan 8.230 nan 0.000 0.448 450 I N 5.194 125.808 120.570 0.073 0.000 2.439 450 I HA 0.461 4.667 4.170 0.060 0.000 0.285 450 I C -0.237 175.995 176.117 0.192 0.000 1.021 450 I CA -0.712 60.594 61.300 0.010 0.000 1.091 450 I CB 1.643 39.389 38.000 -0.424 0.000 1.242 450 I HN 0.735 nan 8.210 nan 0.000 0.439 451 A N 6.423 129.435 122.820 0.320 0.000 2.320 451 A HA 0.567 4.923 4.320 0.060 0.000 0.287 451 A C -1.353 176.352 177.584 0.202 0.000 1.181 451 A CA -0.064 52.139 52.037 0.277 0.000 0.831 451 A CB 0.270 19.545 19.000 0.460 0.000 1.102 451 A HN 0.658 nan 8.150 nan 0.000 0.513 452 Y N 1.369 121.643 120.300 -0.043 0.000 2.332 452 Y HA 0.421 5.007 4.550 0.060 0.000 0.325 452 Y C -0.373 175.518 175.900 -0.015 0.000 1.054 452 Y CA -0.265 57.848 58.100 0.022 0.000 1.119 452 Y CB 1.708 40.242 38.460 0.123 0.000 1.168 452 Y HN 0.727 nan 8.280 nan 0.000 0.439 453 Q N 8.437 128.031 119.800 -0.343 0.000 2.368 453 Q HA 0.480 4.856 4.340 0.060 0.000 0.263 453 Q C -2.622 173.138 176.000 -0.401 0.000 1.009 453 Q CA -2.358 53.286 55.803 -0.265 0.000 0.818 453 Q CB 1.525 30.154 28.738 -0.183 0.000 1.239 453 Q HN 0.386 nan 8.270 nan 0.000 0.464 454 P HA -0.009 nan 4.420 nan 0.000 0.269 454 P C -0.933 176.271 177.300 -0.160 0.000 1.211 454 P CA 0.402 63.413 63.100 -0.148 0.000 0.781 454 P CB 0.611 32.323 31.700 0.019 0.000 0.877 455 L N 1.111 122.255 121.223 -0.131 0.000 2.303 455 L HA 0.748 5.124 4.340 0.060 0.000 0.256 455 L C -0.807 175.980 176.870 -0.139 0.000 1.034 455 L CA -1.106 53.656 54.840 -0.130 0.000 0.832 455 L CB 1.825 43.794 42.059 -0.150 0.000 1.403 455 L HN 0.198 nan 8.230 nan 0.000 0.419 456 L N 0.155 121.293 121.223 -0.142 0.000 2.611 456 L HA 0.399 4.776 4.340 0.060 0.000 0.260 456 L C -0.838 176.028 176.870 -0.006 0.000 0.924 456 L CA 0.057 54.832 54.840 -0.108 0.000 0.901 456 L CB 2.156 44.154 42.059 -0.102 0.000 1.369 456 L HN 0.536 nan 8.230 nan 0.000 0.415 457 S N 2.110 117.837 115.700 0.045 0.000 2.545 457 S HA 0.278 4.785 4.470 0.060 0.000 0.275 457 S C 1.123 175.788 174.600 0.109 0.000 1.299 457 S CA 0.129 58.473 58.200 0.240 0.000 1.048 457 S CB 0.574 63.906 63.200 0.219 0.000 0.938 457 S HN 0.830 nan 8.310 nan 0.000 0.496 458 N N 3.977 122.732 118.700 0.092 0.000 2.289 458 N HA -0.114 4.662 4.740 0.060 0.000 0.184 458 N C 1.271 176.805 175.510 0.040 0.000 1.016 458 N CA 1.776 54.852 53.050 0.043 0.000 0.872 458 N CB -1.146 37.355 38.487 0.023 0.000 0.973 458 N HN 0.550 nan 8.380 nan 0.000 0.433 459 T N -0.226 114.356 114.554 0.047 0.000 2.788 459 T HA -0.001 4.385 4.350 0.060 0.000 0.268 459 T C 1.698 176.421 174.700 0.039 0.000 1.044 459 T CA 1.812 63.935 62.100 0.038 0.000 1.139 459 T CB -0.491 68.401 68.868 0.041 0.000 0.867 459 T HN 0.480 nan 8.240 nan 0.000 0.454 460 L N 0.525 121.776 121.223 0.046 0.000 2.848 460 L HA 0.870 5.246 4.340 0.060 0.000 0.240 460 L C 1.185 178.079 176.870 0.040 0.000 1.232 460 L CA -0.250 54.614 54.840 0.039 0.000 1.031 460 L CB -1.851 40.230 42.059 0.036 0.000 1.338 460 L HN 0.438 nan 8.230 nan 0.000 0.509 461 A N -0.719 122.126 122.820 0.041 0.000 2.275 461 A HA 0.532 4.888 4.320 0.060 0.000 0.276 461 A C 1.618 179.238 177.584 0.060 0.000 1.232 461 A CA 1.438 53.502 52.037 0.046 0.000 0.814 461 A CB -0.267 18.759 19.000 0.043 0.000 1.145 461 A HN 2.101 nan 8.150 nan 0.000 0.508 462 E N -4.440 115.809 120.200 0.082 0.000 4.028 462 E HA -0.036 4.350 4.350 0.060 0.000 0.343 462 E C 0.849 177.508 176.600 0.097 0.000 0.700 462 E CA 2.113 58.565 56.400 0.087 0.000 1.288 462 E CB -2.779 26.958 29.700 0.061 0.000 1.677 462 E HN 2.466 nan 8.360 nan 0.000 0.424 463 L N -1.397 119.893 121.223 0.111 0.000 2.808 463 L HA 0.670 5.046 4.340 0.060 0.000 0.246 463 L C 2.170 179.152 176.870 0.186 0.000 1.153 463 L CA 1.067 55.976 54.840 0.115 0.000 0.956 463 L CB -0.834 41.275 42.059 0.083 0.000 1.270 463 L HN 0.729 nan 8.230 nan 0.000 0.528 464 Y N 1.303 121.627 120.300 0.038 0.000 2.053 464 Y HA -0.282 4.304 4.550 0.060 0.000 0.277 464 Y C 2.555 178.511 175.900 0.092 0.000 1.159 464 Y CA 2.249 60.371 58.100 0.037 0.000 1.125 464 Y CB -0.689 37.788 38.460 0.029 0.000 0.969 464 Y HN 0.236 nan 8.280 nan 0.000 0.492 465 V N 0.552 120.533 119.914 0.112 0.000 2.278 465 V HA -0.369 3.788 4.120 0.060 0.000 0.251 465 V C 2.457 178.593 176.094 0.069 0.000 1.062 465 V CA 4.316 66.620 62.300 0.007 0.000 1.038 465 V CB -1.619 30.204 31.823 0.000 0.000 0.646 465 V HN 0.402 nan 8.190 nan 0.000 0.447 466 R N -0.288 120.269 120.500 0.095 0.000 2.066 466 R HA 0.012 4.388 4.340 0.060 0.000 0.232 466 R C 2.335 178.706 176.300 0.118 0.000 1.131 466 R CA 2.760 58.912 56.100 0.088 0.000 0.955 466 R CB -1.616 28.729 30.300 0.075 0.000 0.851 466 R HN 0.992 nan 8.270 nan 0.000 0.432 467 E N 0.151 120.446 120.200 0.159 0.000 2.152 467 E HA -0.170 4.216 4.350 0.060 0.000 0.192 467 E C 2.037 178.771 176.600 0.223 0.000 0.983 467 E CA 1.042 57.544 56.400 0.170 0.000 0.818 467 E CB -0.740 29.056 29.700 0.160 0.000 0.758 467 E HN 0.802 nan 8.360 nan 0.000 0.467 468 H N 0.060 119.216 119.070 0.143 0.000 2.319 468 H HA -0.041 4.552 4.556 0.060 0.000 0.299 468 H C 2.465 177.820 175.328 0.045 0.000 1.092 468 H CA 2.546 58.645 56.048 0.084 0.000 1.302 468 H CB -0.614 29.053 29.762 -0.159 0.000 1.373 468 H HN 0.431 nan 8.280 nan 0.000 0.497 469 L N 0.372 121.687 121.223 0.153 0.000 2.109 469 L HA 0.007 4.383 4.340 0.060 0.000 0.207 469 L C 2.932 179.862 176.870 0.101 0.000 1.086 469 L CA 2.555 57.437 54.840 0.070 0.000 0.760 469 L CB -2.171 39.905 42.059 0.028 0.000 0.910 469 L HN 0.559 nan 8.230 nan 0.000 0.437 470 R N -0.136 120.435 120.500 0.118 0.000 2.096 470 R HA -0.139 4.237 4.340 0.060 0.000 0.235 470 R C 2.064 178.452 176.300 0.146 0.000 1.127 470 R CA 1.541 57.712 56.100 0.118 0.000 0.968 470 R CB -1.083 29.284 30.300 0.112 0.000 0.861 470 R HN 0.803 nan 8.270 nan 0.000 0.440 471 E N 0.676 120.976 120.200 0.166 0.000 2.299 471 E HA -0.070 4.316 4.350 0.060 0.000 0.193 471 E C 1.578 178.284 176.600 0.177 0.000 0.998 471 E CA 0.682 57.191 56.400 0.181 0.000 0.851 471 E CB 0.218 30.023 29.700 0.175 0.000 0.795 471 E HN 0.745 nan 8.360 nan 0.000 0.492 472 Q N 0.823 120.718 119.800 0.158 0.000 2.322 472 Q HA 0.040 4.417 4.340 0.060 0.000 0.203 472 Q C 0.132 176.191 176.000 0.100 0.000 0.923 472 Q CA -0.009 55.867 55.803 0.123 0.000 0.949 472 Q CB 0.187 28.985 28.738 0.100 0.000 1.039 472 Q HN 0.021 nan 8.270 nan 0.000 0.496 473 S N -0.912 114.859 115.700 0.119 0.000 3.489 473 S HA 0.612 5.118 4.470 0.060 0.000 0.227 473 S C 0.435 175.113 174.600 0.130 0.000 1.360 473 S CA -0.084 58.180 58.200 0.107 0.000 0.934 473 S CB 0.870 64.132 63.200 0.105 0.000 1.410 473 S HN 0.394 nan 8.310 nan 0.000 0.483 474 R N 0.945 121.506 120.500 0.102 0.000 5.225 474 R HA 0.745 5.122 4.340 0.060 0.000 0.088 474 R C 0.853 177.181 176.300 0.046 0.000 0.705 474 R CA 1.464 57.621 56.100 0.095 0.000 1.064 474 R CB -1.685 28.671 30.300 0.092 0.000 1.417 474 R HN 1.652 nan 8.270 nan 0.000 0.390 493 E N 3.424 123.644 120.200 0.033 0.000 2.389 493 E HA 0.570 4.956 4.350 0.060 0.000 0.281 493 E C -1.705 174.914 176.600 0.032 0.000 1.072 493 E CA -0.866 55.557 56.400 0.040 0.000 0.845 493 E CB 2.575 32.305 29.700 0.050 0.000 1.239 493 E HN 0.722 nan 8.360 nan 0.000 0.434 494 R N 2.909 123.408 120.500 -0.002 0.000 2.828 494 R HA 0.574 4.951 4.340 0.060 0.000 0.264 494 R C -0.714 175.552 176.300 -0.056 0.000 1.022 494 R CA -0.689 55.376 56.100 -0.058 0.000 1.021 494 R CB 1.012 31.212 30.300 -0.167 0.000 1.163 494 R HN 0.440 nan 8.270 nan 0.000 0.494 495 I N 2.732 123.249 120.570 -0.090 0.000 2.474 495 I HA 0.361 4.567 4.170 0.060 0.000 0.294 495 I C -0.452 175.583 176.117 -0.136 0.000 1.005 495 I CA -0.880 60.354 61.300 -0.110 0.000 1.113 495 I CB 1.684 39.596 38.000 -0.146 0.000 1.289 495 I HN 0.525 nan 8.210 nan 0.000 0.436 496 K N 4.089 124.406 120.400 -0.139 0.000 2.118 496 K HA 0.691 5.048 4.320 0.060 0.000 0.254 496 K C -0.508 175.966 176.600 -0.211 0.000 0.961 496 K CA -0.607 55.588 56.287 -0.152 0.000 0.876 496 K CB 1.693 34.122 32.500 -0.119 0.000 1.077 496 K HN 0.502 nan 8.250 nan 0.000 0.440 497 T N 0.279 114.690 114.554 -0.239 0.000 2.916 497 T HA 0.199 4.586 4.350 0.060 0.000 0.298 497 T C 0.017 174.554 174.700 -0.271 0.000 1.031 497 T CA -0.560 61.318 62.100 -0.369 0.000 0.993 497 T CB 2.122 70.700 68.868 -0.483 0.000 1.045 497 T HN 0.569 nan 8.240 nan 0.000 0.454 498 T N 0.639 115.043 114.554 -0.250 0.000 2.689 498 T HA 0.249 4.636 4.350 0.060 0.000 0.308 498 T C 1.114 175.784 174.700 -0.051 0.000 1.021 498 T CA -0.195 61.844 62.100 -0.101 0.000 0.973 498 T CB 0.280 69.133 68.868 -0.026 0.000 1.113 498 T HN 0.482 nan 8.240 nan 0.000 0.522 499 S N 0.137 115.846 115.700 0.016 0.000 2.559 499 S HA 0.184 4.690 4.470 0.060 0.000 0.226 499 S C 0.424 175.087 174.600 0.105 0.000 1.030 499 S CA -0.255 57.964 58.200 0.030 0.000 0.956 499 S CB 0.390 63.594 63.200 0.005 0.000 0.900 499 S HN 0.828 nan 8.310 nan 0.000 0.510 500 S N 1.672 117.467 115.700 0.158 0.000 2.416 500 S HA 0.437 4.943 4.470 0.060 0.000 0.287 500 S C 0.289 175.115 174.600 0.376 0.000 1.139 500 S CA -0.560 57.766 58.200 0.210 0.000 1.058 500 S CB 0.800 64.105 63.200 0.175 0.000 0.967 500 S HN 0.170 nan 8.310 nan 0.000 0.495 501 I N 2.940 123.641 120.570 0.219 0.000 3.883 501 I HA 0.087 4.293 4.170 0.060 0.000 0.326 501 I C 1.989 178.027 176.117 -0.132 0.000 1.283 501 I CA -0.164 61.164 61.300 0.048 0.000 1.161 501 I CB -0.446 37.569 38.000 0.026 0.000 1.012 501 I HN 0.912 nan 8.210 nan 0.000 0.421 502 E N 1.073 121.294 120.200 0.035 0.000 2.086 502 E HA -0.344 4.042 4.350 0.060 0.000 0.200 502 E C 2.162 178.727 176.600 -0.058 0.000 1.012 502 E CA 2.202 58.597 56.400 -0.009 0.000 0.812 502 E CB -1.362 28.369 29.700 0.051 0.000 0.743 502 E HN 0.566 nan 8.360 nan 0.000 0.453 503 F N 1.685 121.619 119.950 -0.026 0.000 2.120 503 F HA -0.070 4.493 4.527 0.060 0.000 0.300 503 F C 2.420 178.185 175.800 -0.058 0.000 1.095 503 F CA 1.087 59.069 58.000 -0.030 0.000 1.249 503 F CB -0.597 38.403 39.000 0.000 0.000 0.995 503 F HN 0.091 nan 8.300 nan 0.000 0.480 504 A N 0.762 122.751 122.820 -1.386 0.000 2.066 504 A HA 0.006 4.362 4.320 0.060 0.000 0.218 504 A C 2.293 179.531 177.584 -0.577 0.000 1.157 504 A CA 1.005 52.380 52.037 -1.103 0.000 0.670 504 A CB -0.585 17.512 19.000 -1.506 0.000 0.804 504 A HN 0.544 nan 8.150 nan 0.000 0.453 505 R N -0.722 119.526 120.500 -0.420 0.000 2.140 505 R HA 0.221 4.598 4.340 0.060 0.000 0.213 505 R C 1.835 178.091 176.300 -0.073 0.000 1.059 505 R CA 0.609 56.567 56.100 -0.238 0.000 1.000 505 R CB -0.384 29.784 30.300 -0.220 0.000 0.910 505 R HN 0.419 nan 8.270 nan 0.000 0.455 506 L N 0.964 122.141 121.223 -0.076 0.000 2.012 506 L HA -0.244 4.133 4.340 0.060 0.000 0.210 506 L C 2.666 179.564 176.870 0.045 0.000 1.073 506 L CA 1.389 56.225 54.840 -0.007 0.000 0.748 506 L CB -0.476 41.576 42.059 -0.012 0.000 0.891 506 L HN 0.135 nan 8.230 nan 0.000 0.431 507 Q N -0.004 119.803 119.800 0.011 0.000 1.998 507 Q HA -0.290 4.087 4.340 0.060 0.000 0.209 507 Q C 2.019 178.078 176.000 0.097 0.000 1.002 507 Q CA 2.382 58.218 55.803 0.056 0.000 0.858 507 Q CB -0.663 28.080 28.738 0.008 0.000 0.932 507 Q HN 0.383 nan 8.270 nan 0.000 0.416 508 F N 0.298 120.180 119.950 -0.114 0.000 2.027 508 F HA -0.336 4.227 4.527 0.061 0.000 0.297 508 F C 2.087 177.793 175.800 -0.156 0.000 1.129 508 F CA 2.479 60.378 58.000 -0.168 0.000 1.195 508 F CB -0.985 37.845 39.000 -0.285 0.000 0.960 508 F HN 0.125 nan 8.300 nan 0.000 0.485 509 T N -0.127 114.473 114.554 0.076 0.000 2.607 509 T HA -0.349 4.038 4.350 0.060 0.000 0.267 509 T C 1.552 176.222 174.700 -0.051 0.000 1.049 509 T CA 2.052 64.141 62.100 -0.018 0.000 1.162 509 T CB -1.152 67.763 68.868 0.078 0.000 0.863 509 T HN 0.576 nan 8.240 nan 0.000 0.424 510 Y N 2.826 123.082 120.300 -0.073 0.000 2.069 510 Y HA -0.312 4.275 4.550 0.061 0.000 0.278 510 Y C 2.278 178.139 175.900 -0.065 0.000 1.175 510 Y CA 1.894 59.962 58.100 -0.053 0.000 1.134 510 Y CB -0.505 37.936 38.460 -0.032 0.000 0.965 510 Y HN 0.147 nan 8.280 nan 0.000 0.498 511 N N -0.277 118.403 118.700 -0.033 0.000 2.000 511 N HA -0.236 4.540 4.740 0.060 0.000 0.198 511 N C 1.588 177.001 175.510 -0.162 0.000 1.057 511 N CA 2.101 55.081 53.050 -0.116 0.000 0.858 511 N CB -1.200 37.278 38.487 -0.016 0.000 1.057 511 N HN 0.440 nan 8.380 nan 0.000 0.423 512 H N 0.415 119.248 119.070 -0.396 0.000 2.368 512 H HA -0.096 4.497 4.556 0.061 0.000 0.292 512 H C 2.111 177.296 175.328 -0.238 0.000 1.117 512 H CA 1.398 57.224 56.048 -0.371 0.000 1.231 512 H CB -0.560 28.869 29.762 -0.556 0.000 1.359 512 H HN 0.272 nan 8.280 nan 0.000 0.490 513 I N -0.179 120.320 120.570 -0.118 0.000 2.193 513 I HA -0.281 3.925 4.170 0.060 0.000 0.240 513 I C 2.661 178.691 176.117 -0.146 0.000 1.084 513 I CA 1.388 62.622 61.300 -0.110 0.000 1.365 513 I CB -0.481 37.446 38.000 -0.122 0.000 1.064 513 I HN 0.301 nan 8.210 nan 0.000 0.410 514 Q N 1.188 120.796 119.800 -0.319 0.000 2.118 514 Q HA -0.281 4.095 4.340 0.060 0.000 0.211 514 Q C 2.371 178.265 176.000 -0.177 0.000 0.998 514 Q CA 2.068 57.660 55.803 -0.352 0.000 0.872 514 Q CB 0.035 28.424 28.738 -0.581 0.000 0.925 514 Q HN 0.391 nan 8.270 nan 0.000 0.414 515 R N -0.165 120.250 120.500 -0.142 0.000 2.070 515 R HA -0.135 4.241 4.340 0.060 0.000 0.227 515 R C 2.401 178.669 176.300 -0.053 0.000 1.147 515 R CA 1.779 57.827 56.100 -0.087 0.000 0.924 515 R CB -1.902 28.340 30.300 -0.097 0.000 0.827 515 R HN 0.547 nan 8.270 nan 0.000 0.431 516 H N 1.393 120.388 119.070 -0.125 0.000 2.292 516 H HA -0.146 4.446 4.556 0.061 0.000 0.292 516 H C 1.970 177.252 175.328 -0.077 0.000 1.100 516 H CA 2.583 58.573 56.048 -0.096 0.000 1.238 516 H CB -0.012 29.693 29.762 -0.095 0.000 1.355 516 H HN -0.037 nan 8.280 nan 0.000 0.484 517 V N 1.988 121.875 119.914 -0.046 0.000 2.215 517 V HA -0.338 3.818 4.120 0.060 0.000 0.246 517 V C 2.464 178.478 176.094 -0.132 0.000 1.047 517 V CA 2.301 64.546 62.300 -0.092 0.000 0.999 517 V CB -0.670 31.127 31.823 -0.044 0.000 0.635 517 V HN 0.533 nan 8.190 nan 0.000 0.450 518 N N 0.273 118.915 118.700 -0.096 0.000 2.149 518 N HA -0.172 4.605 4.740 0.060 0.000 0.188 518 N C 1.432 176.891 175.510 -0.085 0.000 1.019 518 N CA 1.675 54.678 53.050 -0.077 0.000 0.857 518 N CB -0.604 37.852 38.487 -0.053 0.000 0.997 518 N HN 0.536 nan 8.380 nan 0.000 0.426 519 D N -0.201 120.137 120.400 -0.104 0.000 2.309 519 D HA -0.052 4.624 4.640 0.060 0.000 0.212 519 D C 1.716 177.936 176.300 -0.133 0.000 0.968 519 D CA 0.629 54.569 54.000 -0.100 0.000 0.882 519 D CB 0.093 40.837 40.800 -0.092 0.000 0.918 519 D HN 0.209 nan 8.370 nan 0.000 0.503 520 M N -0.633 118.852 119.600 -0.192 0.000 2.384 520 M HA 0.119 4.635 4.480 0.060 0.000 0.258 520 M C 2.226 178.460 176.300 -0.110 0.000 1.130 520 M CA 0.578 55.769 55.300 -0.183 0.000 1.187 520 M CB -1.024 31.407 32.600 -0.282 0.000 1.307 520 M HN -0.002 nan 8.290 nan 0.000 0.468 521 L N 0.023 121.183 121.223 -0.104 0.000 2.051 521 L HA -0.191 4.185 4.340 0.060 0.000 0.214 521 L C 2.537 179.374 176.870 -0.055 0.000 1.076 521 L CA 1.564 56.358 54.840 -0.077 0.000 0.758 521 L CB -1.667 40.346 42.059 -0.075 0.000 0.890 521 L HN 0.428 nan 8.230 nan 0.000 0.433 522 G N 0.025 108.795 108.800 -0.050 0.000 2.480 522 G HA2 -0.256 3.740 3.960 0.060 0.000 0.216 522 G HA3 -0.256 3.740 3.960 0.060 0.000 0.216 522 G C 1.701 176.593 174.900 -0.014 0.000 1.200 522 G CA 0.688 45.771 45.100 -0.028 0.000 0.782 522 G HN 0.296 nan 8.290 nan 0.000 0.554 523 R N -0.233 120.252 120.500 -0.024 0.000 2.117 523 R HA -0.067 4.310 4.340 0.060 0.000 0.243 523 R C 2.643 178.949 176.300 0.009 0.000 1.143 523 R CA 1.266 57.360 56.100 -0.011 0.000 0.968 523 R CB -0.599 29.685 30.300 -0.027 0.000 0.863 523 R HN 0.326 nan 8.270 nan 0.000 0.444 524 V N 0.969 120.883 119.914 0.001 0.000 2.307 524 V HA -0.217 3.940 4.120 0.060 0.000 0.245 524 V C 2.472 178.613 176.094 0.078 0.000 1.045 524 V CA 1.866 64.183 62.300 0.028 0.000 1.024 524 V CB -0.772 31.046 31.823 -0.009 0.000 0.651 524 V HN 0.409 nan 8.190 nan 0.000 0.449 525 A N -0.121 122.723 122.820 0.040 0.000 1.986 525 A HA -0.216 4.140 4.320 0.060 0.000 0.220 525 A C 2.144 179.821 177.584 0.155 0.000 1.171 525 A CA 2.128 54.209 52.037 0.073 0.000 0.640 525 A CB -0.560 18.452 19.000 0.020 0.000 0.811 525 A HN 0.572 nan 8.150 nan 0.000 0.451 526 I N -0.823 119.809 120.570 0.103 0.000 2.206 526 I HA -0.148 4.058 4.170 0.060 0.000 0.239 526 I C 2.938 179.118 176.117 0.104 0.000 1.078 526 I CA 0.863 62.218 61.300 0.092 0.000 1.367 526 I CB -0.591 37.440 38.000 0.052 0.000 1.078 526 I HN 0.299 nan 8.210 nan 0.000 0.413 527 A N 1.030 123.905 122.820 0.092 0.000 2.032 527 A HA -0.265 4.091 4.320 0.060 0.000 0.221 527 A C 2.223 179.878 177.584 0.119 0.000 1.165 527 A CA 1.598 53.680 52.037 0.075 0.000 0.645 527 A CB -1.088 17.951 19.000 0.066 0.000 0.807 527 A HN 0.770 nan 8.150 nan 0.000 0.453 528 W N -0.322 120.972 121.300 -0.010 0.000 2.413 528 W HA -0.197 4.500 4.660 0.061 0.000 0.315 528 W C 2.515 179.038 176.519 0.007 0.000 1.186 528 W CA 1.497 58.840 57.345 -0.004 0.000 1.326 528 W CB -0.814 28.640 29.460 -0.009 0.000 1.153 528 W HN 0.435 nan 8.180 nan 0.000 0.489 529 c N 2.151 120.850 118.600 0.165 0.000 2.385 529 c HA -0.252 4.354 4.570 0.060 0.000 0.275 529 c C 2.467 176.540 174.090 -0.027 0.000 1.207 529 c CA 2.319 58.676 56.329 0.048 0.000 1.760 529 c CB -1.204 41.373 42.510 0.112 0.000 2.051 529 c HN 0.475 nan 8.230 nan 0.000 0.467 530 E N -0.010 120.201 120.200 0.018 0.000 2.023 530 E HA -0.253 4.133 4.350 0.060 0.000 0.196 530 E C 2.025 178.671 176.600 0.076 0.000 1.003 530 E CA 1.590 58.032 56.400 0.070 0.000 0.809 530 E CB -0.479 29.240 29.700 0.031 0.000 0.755 530 E HN 0.621 nan 8.360 nan 0.000 0.449 531 L N 1.568 122.743 121.223 -0.079 0.000 1.997 531 L HA -0.314 4.062 4.340 0.060 0.000 0.216 531 L C 2.251 179.059 176.870 -0.103 0.000 1.074 531 L CA 1.901 56.667 54.840 -0.123 0.000 0.763 531 L CB -0.525 41.402 42.059 -0.219 0.000 0.890 531 L HN 0.107 nan 8.230 nan 0.000 0.434 532 Q N -0.243 119.407 119.800 -0.251 0.000 2.062 532 Q HA -0.255 4.122 4.340 0.060 0.000 0.209 532 Q C 2.061 178.011 176.000 -0.082 0.000 0.996 532 Q CA 2.150 57.818 55.803 -0.226 0.000 0.859 532 Q CB -1.141 27.418 28.738 -0.299 0.000 0.920 532 Q HN 0.616 nan 8.270 nan 0.000 0.415 533 N N 0.353 119.033 118.700 -0.034 0.000 2.069 533 N HA -0.151 4.626 4.740 0.060 0.000 0.191 533 N C 1.701 177.193 175.510 -0.030 0.000 1.031 533 N CA 1.327 54.359 53.050 -0.030 0.000 0.852 533 N CB -0.671 37.801 38.487 -0.024 0.000 1.018 533 N HN 0.507 nan 8.380 nan 0.000 0.423 534 H N 0.346 119.393 119.070 -0.037 0.000 2.457 534 H HA 0.041 4.633 4.556 0.060 0.000 0.294 534 H C 1.163 176.492 175.328 0.002 0.000 1.064 534 H CA 0.690 56.727 56.048 -0.018 0.000 1.330 534 H CB 0.354 30.099 29.762 -0.028 0.000 1.395 534 H HN 0.273 nan 8.280 nan 0.000 0.541 535 E N 0.959 121.235 120.200 0.127 0.000 2.150 535 E HA -0.110 4.276 4.350 0.060 0.000 0.193 535 E C 2.344 179.114 176.600 0.283 0.000 0.985 535 E CA 0.127 56.626 56.400 0.166 0.000 0.814 535 E CB -0.312 29.511 29.700 0.206 0.000 0.752 535 E HN 0.273 nan 8.360 nan 0.000 0.466 536 L N 1.283 122.602 121.223 0.161 0.000 2.013 536 L HA -0.211 4.165 4.340 0.060 0.000 0.212 536 L C 2.238 179.206 176.870 0.164 0.000 1.073 536 L CA 1.916 56.833 54.840 0.127 0.000 0.753 536 L CB -1.029 41.038 42.059 0.013 0.000 0.890 536 L HN 0.071 nan 8.230 nan 0.000 0.432 537 T N -0.241 114.366 114.554 0.088 0.000 2.624 537 T HA -0.252 4.134 4.350 0.060 0.000 0.268 537 T C 1.915 176.658 174.700 0.071 0.000 1.041 537 T CA 2.075 64.214 62.100 0.065 0.000 1.159 537 T CB -0.374 68.509 68.868 0.025 0.000 0.863 537 T HN 0.306 nan 8.240 nan 0.000 0.434 538 L N -1.225 120.019 121.223 0.036 0.000 2.017 538 L HA -0.093 4.283 4.340 0.060 0.000 0.208 538 L C 2.513 179.349 176.870 -0.057 0.000 1.073 538 L CA 1.540 56.341 54.840 -0.065 0.000 0.745 538 L CB -0.637 41.310 42.059 -0.187 0.000 0.894 538 L HN 0.384 nan 8.230 nan 0.000 0.432 539 W N 0.577 121.888 121.300 0.018 0.000 2.374 539 W HA -0.162 4.534 4.660 0.060 0.000 0.288 539 W C 2.544 179.166 176.519 0.172 0.000 1.218 539 W CA 0.643 58.026 57.345 0.063 0.000 1.245 539 W CB -0.534 28.896 29.460 -0.050 0.000 1.126 539 W HN 0.200 nan 8.180 nan 0.000 0.545 540 N N 0.415 119.326 118.700 0.352 0.000 2.069 540 N HA -0.172 4.604 4.740 0.060 0.000 0.191 540 N C 1.426 177.035 175.510 0.165 0.000 1.031 540 N CA 1.610 54.821 53.050 0.269 0.000 0.852 540 N CB -0.710 37.886 38.487 0.180 0.000 1.018 540 N HN 0.217 nan 8.380 nan 0.000 0.423 541 E N 0.402 120.666 120.200 0.106 0.000 2.358 541 E HA 0.084 4.470 4.350 0.060 0.000 0.195 541 E C 1.679 178.312 176.600 0.055 0.000 1.010 541 E CA 0.248 56.683 56.400 0.059 0.000 0.856 541 E CB -0.044 29.670 29.700 0.024 0.000 0.795 541 E HN 0.332 nan 8.360 nan 0.000 0.504 542 A N 2.115 124.981 122.820 0.076 0.000 1.898 542 A HA -0.156 4.200 4.320 0.060 0.000 0.214 542 A C 2.158 179.819 177.584 0.128 0.000 1.183 542 A CA 1.101 53.171 52.037 0.054 0.000 0.622 542 A CB -0.418 18.560 19.000 -0.037 0.000 0.824 542 A HN 0.235 nan 8.150 nan 0.000 0.444 543 R N 0.144 120.768 120.500 0.208 0.000 2.241 543 R HA -0.041 4.335 4.340 0.060 0.000 0.224 543 R C 1.388 177.739 176.300 0.085 0.000 1.101 543 R CA 1.489 57.694 56.100 0.174 0.000 0.995 543 R CB -0.374 30.019 30.300 0.155 0.000 0.870 543 R HN 0.409 nan 8.270 nan 0.000 0.463 544 K N 0.824 121.265 120.400 0.068 0.000 2.296 544 K HA 0.064 4.420 4.320 0.060 0.000 0.200 544 K C 1.854 178.477 176.600 0.039 0.000 1.048 544 K CA 0.806 57.118 56.287 0.041 0.000 0.966 544 K CB 0.088 32.608 32.500 0.034 0.000 0.754 544 K HN 0.242 nan 8.250 nan 0.000 0.466 545 L N -0.237 121.013 121.223 0.045 0.000 2.253 545 L HA 0.069 4.446 4.340 0.060 0.000 0.205 545 L C 0.741 177.639 176.870 0.047 0.000 1.078 545 L CA 0.340 55.204 54.840 0.039 0.000 0.805 545 L CB 0.068 42.145 42.059 0.030 0.000 0.963 545 L HN 0.104 nan 8.230 nan 0.000 0.459 546 N N -0.763 117.973 118.700 0.060 0.000 2.732 546 N HA 0.166 4.942 4.740 0.060 0.000 0.235 546 N C -2.232 173.323 175.510 0.076 0.000 1.466 546 N CA -1.338 51.750 53.050 0.064 0.000 0.751 546 N CB 0.871 39.398 38.487 0.066 0.000 1.317 546 N HN -0.248 nan 8.380 nan 0.000 0.525 547 P HA -0.115 nan 4.420 nan 0.000 0.216 547 P C 0.839 178.174 177.300 0.058 0.000 1.154 547 P CA 1.202 64.337 63.100 0.058 0.000 0.865 547 P CB 0.323 32.041 31.700 0.029 0.000 0.789 548 N N -1.122 117.608 118.700 0.050 0.000 2.430 548 N HA -0.109 4.668 4.740 0.060 0.000 0.186 548 N C 1.463 176.999 175.510 0.042 0.000 1.032 548 N CA 1.449 54.523 53.050 0.040 0.000 0.893 548 N CB -0.535 37.976 38.487 0.040 0.000 0.957 548 N HN 0.179 nan 8.380 nan 0.000 0.442 549 A N 0.005 122.866 122.820 0.068 0.000 1.944 549 A HA 0.180 4.536 4.320 0.060 0.000 0.207 549 A C 2.035 179.698 177.584 0.133 0.000 1.265 549 A CA 0.110 52.197 52.037 0.083 0.000 0.712 549 A CB -0.141 18.912 19.000 0.089 0.000 0.915 549 A HN 0.033 nan 8.150 nan 0.000 0.470 550 I N 0.793 121.471 120.570 0.180 0.000 2.286 550 I HA -0.177 4.030 4.170 0.060 0.000 0.248 550 I C 2.780 179.033 176.117 0.227 0.000 1.115 550 I CA 1.350 62.829 61.300 0.298 0.000 1.392 550 I CB -0.457 37.758 38.000 0.357 0.000 1.065 550 I HN 0.317 nan 8.210 nan 0.000 0.418 551 A N -0.627 122.278 122.820 0.142 0.000 1.855 551 A HA -0.160 4.196 4.320 0.060 0.000 0.215 551 A C 2.491 180.108 177.584 0.055 0.000 1.191 551 A CA 1.967 54.060 52.037 0.093 0.000 0.613 551 A CB -1.001 18.024 19.000 0.041 0.000 0.829 551 A HN 0.366 nan 8.150 nan 0.000 0.442 552 S N -0.652 115.068 115.700 0.034 0.000 2.359 552 S HA -0.202 4.304 4.470 0.060 0.000 0.222 552 S C 1.945 176.544 174.600 -0.002 0.000 1.038 552 S CA 1.557 59.754 58.200 -0.005 0.000 1.051 552 S CB -0.843 62.336 63.200 -0.035 0.000 0.944 552 S HN 0.496 nan 8.310 nan 0.000 0.433 553 V N 1.577 121.508 119.914 0.028 0.000 2.469 553 V HA -0.197 3.960 4.120 0.060 0.000 0.251 553 V C 2.114 178.181 176.094 -0.045 0.000 1.064 553 V CA 2.378 64.689 62.300 0.019 0.000 1.066 553 V CB -1.002 30.880 31.823 0.099 0.000 0.667 553 V HN 0.564 nan 8.190 nan 0.000 0.461 554 T N -0.087 114.435 114.554 -0.054 0.000 2.812 554 T HA -0.044 4.342 4.350 0.060 0.000 0.264 554 T C 1.346 176.008 174.700 -0.063 0.000 1.042 554 T CA 1.709 63.740 62.100 -0.115 0.000 1.140 554 T CB -0.070 68.783 68.868 -0.025 0.000 0.870 554 T HN 0.408 nan 8.240 nan 0.000 0.445 555 V N 0.983 120.885 119.914 -0.020 0.000 3.170 555 V HA 0.400 4.556 4.120 0.060 0.000 0.354 555 V C 1.529 177.609 176.094 -0.024 0.000 1.350 555 V CA -0.093 62.197 62.300 -0.016 0.000 1.244 555 V CB -0.821 31.002 31.823 -0.000 0.000 1.222 555 V HN 0.588 nan 8.190 nan 0.000 0.478 556 G N 2.678 111.459 108.800 -0.032 0.000 2.422 556 G HA2 -0.294 3.702 3.960 0.060 0.000 0.301 556 G HA3 -0.294 3.702 3.960 0.060 0.000 0.301 556 G C 0.271 175.151 174.900 -0.033 0.000 0.981 556 G CA 1.099 46.180 45.100 -0.032 0.000 0.994 556 G HN 0.953 nan 8.290 nan 0.000 0.514 557 R N -2.191 118.283 120.500 -0.044 0.000 2.644 557 R HA 0.476 4.852 4.340 0.060 0.000 0.257 557 R C -0.429 175.812 176.300 -0.098 0.000 1.082 557 R CA -1.267 54.795 56.100 -0.062 0.000 0.927 557 R CB 0.954 31.236 30.300 -0.030 0.000 1.258 557 R HN -0.010 nan 8.270 nan 0.000 0.459 558 R N 2.049 122.432 120.500 -0.196 0.000 2.458 558 R HA 0.227 4.604 4.340 0.060 0.000 0.303 558 R C 0.150 176.371 176.300 -0.131 0.000 1.013 558 R CA 0.047 55.983 56.100 -0.273 0.000 1.026 558 R CB 0.696 30.561 30.300 -0.725 0.000 0.948 558 R HN 0.554 nan 8.270 nan 0.000 0.417 559 V N -1.420 118.452 119.914 -0.070 0.000 3.159 559 V HA 0.549 4.705 4.120 0.060 0.000 0.308 559 V C -0.349 175.747 176.094 0.004 0.000 1.190 559 V CA -1.036 61.256 62.300 -0.015 0.000 1.037 559 V CB 2.386 34.206 31.823 -0.005 0.000 1.060 559 V HN 0.568 nan 8.190 nan 0.000 0.437 560 S N 1.065 116.779 115.700 0.023 0.000 2.442 560 S HA 0.868 5.374 4.470 0.060 0.000 0.297 560 S C -0.127 174.485 174.600 0.020 0.000 1.131 560 S CA 0.307 58.525 58.200 0.030 0.000 1.092 560 S CB 0.486 63.713 63.200 0.045 0.000 0.998 560 S HN 1.884 nan 8.310 nan 0.000 0.478 561 A N 4.415 127.246 122.820 0.018 0.000 2.423 561 A HA 0.923 5.280 4.320 0.060 0.000 0.304 561 A C -0.427 177.159 177.584 0.005 0.000 1.104 561 A CA -0.911 51.129 52.037 0.005 0.000 0.757 561 A CB 1.467 20.466 19.000 -0.003 0.000 1.313 561 A HN 0.866 nan 8.150 nan 0.000 0.423 562 R N 1.311 121.806 120.500 -0.008 0.000 2.643 562 R HA 0.465 4.841 4.340 0.060 0.000 0.269 562 R C -1.532 174.753 176.300 -0.024 0.000 1.037 562 R CA -0.784 55.312 56.100 -0.007 0.000 0.894 562 R CB 1.236 31.537 30.300 0.001 0.000 1.238 562 R HN 0.674 nan 8.270 nan 0.000 0.459 563 M N 5.208 124.795 119.600 -0.023 0.000 2.146 563 M HA 0.230 4.747 4.480 0.060 0.000 0.352 563 M C -0.324 175.961 176.300 -0.024 0.000 1.343 563 M CA -0.046 55.234 55.300 -0.034 0.000 1.115 563 M CB 0.722 33.305 32.600 -0.028 0.000 1.657 563 M HN 0.508 nan 8.290 nan 0.000 0.471 564 L N 3.750 124.955 121.223 -0.030 0.000 2.828 564 L HA 0.400 4.776 4.340 0.060 0.000 0.233 564 L C 1.119 177.976 176.870 -0.021 0.000 1.250 564 L CA -0.353 54.474 54.840 -0.021 0.000 1.125 564 L CB -0.515 41.532 42.059 -0.021 0.000 1.432 564 L HN 1.067 nan 8.230 nan 0.000 0.444 565 G N 1.137 109.926 108.800 -0.019 0.000 3.298 565 G HA2 -0.281 3.715 3.960 0.060 0.000 0.260 565 G HA3 -0.281 3.715 3.960 0.060 0.000 0.260 565 G C 0.228 175.115 174.900 -0.021 0.000 1.681 565 G CA 0.237 45.328 45.100 -0.016 0.000 1.094 565 G HN 0.426 nan 8.290 nan 0.000 0.575 566 D N 0.342 120.727 120.400 -0.026 0.000 2.469 566 D HA 0.486 5.162 4.640 0.060 0.000 0.213 566 D C 0.592 176.859 176.300 -0.055 0.000 1.135 566 D CA 0.311 54.292 54.000 -0.032 0.000 0.834 566 D CB 1.455 42.244 40.800 -0.018 0.000 1.009 566 D HN 0.431 nan 8.370 nan 0.000 0.507 567 V N 0.992 120.870 119.914 -0.059 0.000 2.994 567 V HA 0.472 4.628 4.120 0.060 0.000 0.318 567 V C -0.287 175.749 176.094 -0.097 0.000 1.085 567 V CA -0.932 61.320 62.300 -0.080 0.000 0.998 567 V CB 2.454 34.245 31.823 -0.054 0.000 1.063 567 V HN 0.011 nan 8.190 nan 0.000 0.447 568 M N 2.606 122.131 119.600 -0.126 0.000 2.181 568 M HA 0.745 5.261 4.480 0.060 0.000 0.323 568 M C -0.391 175.861 176.300 -0.079 0.000 1.004 568 M CA -0.423 54.803 55.300 -0.123 0.000 0.941 568 M CB 1.283 33.760 32.600 -0.206 0.000 1.579 568 M HN 0.804 nan 8.290 nan 0.000 0.427 569 A N 4.352 127.142 122.820 -0.051 0.000 2.293 569 A HA 0.818 5.175 4.320 0.060 0.000 0.302 569 A C -1.077 176.493 177.584 -0.023 0.000 1.119 569 A CA -0.575 51.443 52.037 -0.031 0.000 0.823 569 A CB 1.070 20.058 19.000 -0.019 0.000 1.097 569 A HN 0.678 nan 8.150 nan 0.000 0.491 570 V N 1.054 120.960 119.914 -0.013 0.000 2.808 570 V HA 0.614 4.770 4.120 0.060 0.000 0.308 570 V C -0.406 175.691 176.094 0.006 0.000 1.099 570 V CA -0.190 62.107 62.300 -0.004 0.000 0.920 570 V CB 2.320 34.139 31.823 -0.006 0.000 1.014 570 V HN 1.200 nan 8.190 nan 0.000 0.425 571 S N 1.081 116.790 115.700 0.015 0.000 2.652 571 S HA 0.404 4.910 4.470 0.060 0.000 0.252 571 S C -0.257 174.363 174.600 0.033 0.000 1.219 571 S CA -0.617 57.597 58.200 0.024 0.000 1.151 571 S CB 1.021 64.237 63.200 0.027 0.000 1.080 571 S HN 0.685 nan 8.310 nan 0.000 0.481 572 T N 2.860 117.433 114.554 0.033 0.000 2.923 572 T HA 0.056 4.442 4.350 0.060 0.000 0.320 572 T C 0.679 175.421 174.700 0.069 0.000 1.074 572 T CA 0.114 62.239 62.100 0.041 0.000 1.131 572 T CB -0.244 68.649 68.868 0.042 0.000 1.058 572 T HN 0.821 nan 8.240 nan 0.000 0.535 573 c N 2.495 121.146 118.600 0.086 0.000 2.347 573 c HA 0.595 5.201 4.570 0.060 0.000 0.366 573 c C 0.613 174.829 174.090 0.209 0.000 1.241 573 c CA -0.807 55.608 56.329 0.144 0.000 2.360 573 c CB 0.681 43.282 42.510 0.151 0.000 2.290 573 c HN 0.666 nan 8.230 nan 0.000 0.587 574 V N 3.237 123.281 119.914 0.217 0.000 2.417 574 V HA 0.329 4.486 4.120 0.060 0.000 0.291 574 V C -2.197 173.945 176.094 0.080 0.000 1.024 574 V CA -1.313 61.094 62.300 0.178 0.000 0.861 574 V CB 1.487 33.427 31.823 0.194 0.000 0.985 574 V HN 0.749 nan 8.190 nan 0.000 0.436 575 P HA 0.250 nan 4.420 nan 0.000 0.269 575 P C -1.001 176.161 177.300 -0.230 0.000 1.215 575 P CA -0.045 62.814 63.100 -0.402 0.000 0.780 575 P CB 0.704 32.223 31.700 -0.302 0.000 0.898 576 V N 1.448 121.207 119.914 -0.259 0.000 2.612 576 V HA 0.481 4.637 4.120 0.060 0.000 0.301 576 V C 0.027 176.111 176.094 -0.016 0.000 1.059 576 V CA -1.110 61.112 62.300 -0.130 0.000 0.886 576 V CB 1.545 33.216 31.823 -0.253 0.000 1.007 576 V HN 0.696 nan 8.190 nan 0.000 0.426 577 A N 3.524 126.343 122.820 -0.003 0.000 2.567 577 A HA 0.495 4.851 4.320 0.060 0.000 0.240 577 A C 1.668 179.318 177.584 0.110 0.000 1.053 577 A CA 0.640 52.698 52.037 0.035 0.000 0.755 577 A CB 0.361 19.373 19.000 0.021 0.000 0.978 577 A HN 1.644 nan 8.150 nan 0.000 0.507 578 A N 2.325 125.251 122.820 0.176 0.000 1.986 578 A HA -0.199 4.157 4.320 0.060 0.000 0.220 578 A C 1.601 179.258 177.584 0.122 0.000 1.171 578 A CA 2.056 54.264 52.037 0.285 0.000 0.640 578 A CB -0.571 18.546 19.000 0.195 0.000 0.811 578 A HN 0.849 nan 8.150 nan 0.000 0.451 579 D N 0.914 121.358 120.400 0.074 0.000 2.149 579 D HA -0.142 4.534 4.640 0.060 0.000 0.194 579 D C 0.305 176.627 176.300 0.037 0.000 1.001 579 D CA 1.318 55.348 54.000 0.050 0.000 0.849 579 D CB -0.528 40.294 40.800 0.036 0.000 0.939 579 D HN 0.452 nan 8.370 nan 0.000 0.449 580 N N 0.589 119.306 118.700 0.028 0.000 2.597 580 N HA 0.115 4.891 4.740 0.060 0.000 0.269 580 N C -0.747 174.757 175.510 -0.009 0.000 1.204 580 N CA 0.041 53.105 53.050 0.024 0.000 0.947 580 N CB 1.222 39.739 38.487 0.050 0.000 1.258 580 N HN -0.025 nan 8.380 nan 0.000 0.508 581 V N 1.505 121.389 119.914 -0.050 0.000 2.612 581 V HA 0.474 4.630 4.120 0.060 0.000 0.301 581 V C -0.463 175.632 176.094 0.002 0.000 1.059 581 V CA -1.051 61.165 62.300 -0.139 0.000 0.886 581 V CB 1.750 33.218 31.823 -0.593 0.000 1.007 581 V HN 0.184 nan 8.190 nan 0.000 0.426 582 I N 3.219 123.784 120.570 -0.008 0.000 2.730 582 I HA 0.874 5.080 4.170 0.060 0.000 0.298 582 I C -0.680 175.385 176.117 -0.087 0.000 1.089 582 I CA -0.785 60.503 61.300 -0.019 0.000 1.041 582 I CB 2.228 40.207 38.000 -0.036 0.000 1.235 582 I HN 0.218 nan 8.210 nan 0.000 0.423 583 V N 4.368 124.185 119.914 -0.163 0.000 2.532 583 V HA 0.426 4.582 4.120 0.060 0.000 0.295 583 V C -0.169 175.841 176.094 -0.140 0.000 1.041 583 V CA -0.625 61.556 62.300 -0.199 0.000 0.926 583 V CB 1.572 33.212 31.823 -0.306 0.000 0.992 583 V HN 0.743 nan 8.190 nan 0.000 0.457 584 Q N 3.317 123.067 119.800 -0.083 0.000 2.307 584 Q HA 0.174 4.550 4.340 0.060 0.000 0.259 584 Q C 1.017 177.043 176.000 0.044 0.000 0.998 584 Q CA -0.195 55.580 55.803 -0.046 0.000 0.923 584 Q CB 0.360 29.061 28.738 -0.061 0.000 1.196 584 Q HN 0.697 nan 8.270 nan 0.000 0.416 585 N N 1.880 120.567 118.700 -0.021 0.000 2.036 585 N HA -0.178 4.598 4.740 0.060 0.000 0.199 585 N C 0.525 176.110 175.510 0.126 0.000 1.036 585 N CA 1.228 54.273 53.050 -0.008 0.000 0.870 585 N CB 0.296 38.757 38.487 -0.045 0.000 1.055 585 N HN 0.490 nan 8.380 nan 0.000 0.436 586 S N -0.902 114.882 115.700 0.141 0.000 2.661 586 S HA 0.375 4.882 4.470 0.060 0.000 0.265 586 S C 0.633 175.427 174.600 0.324 0.000 1.225 586 S CA -0.290 58.039 58.200 0.215 0.000 0.986 586 S CB 0.740 64.016 63.200 0.127 0.000 1.008 586 S HN 0.366 nan 8.310 nan 0.000 0.565 587 M N 1.214 121.013 119.600 0.332 0.000 3.741 587 M HA 0.284 4.800 4.480 0.060 0.000 0.507 587 M C -0.663 175.800 176.300 0.273 0.000 1.722 587 M CA -0.218 55.260 55.300 0.297 0.000 0.692 587 M CB 0.085 32.873 32.600 0.314 0.000 1.492 587 M HN 0.542 nan 8.290 nan 0.000 0.555 588 R N 0.054 120.651 120.500 0.162 0.000 2.810 588 R HA 0.747 5.123 4.340 0.060 0.000 0.245 588 R C -0.625 175.700 176.300 0.043 0.000 1.168 588 R CA -0.867 55.235 56.100 0.004 0.000 1.096 588 R CB 1.478 31.758 30.300 -0.032 0.000 1.259 588 R HN 0.210 nan 8.270 nan 0.000 0.518 589 I N 0.975 121.514 120.570 -0.052 0.000 2.406 589 I HA 0.095 4.301 4.170 0.060 0.000 0.290 589 I C 0.972 177.070 176.117 -0.032 0.000 0.999 589 I CA -0.213 61.066 61.300 -0.036 0.000 1.124 589 I CB 2.113 40.042 38.000 -0.117 0.000 1.289 589 I HN 0.802 nan 8.210 nan 0.000 0.441 590 S N 2.365 118.063 115.700 -0.005 0.000 2.441 590 S HA -0.095 4.411 4.470 0.060 0.000 0.224 590 S C 1.885 176.476 174.600 -0.015 0.000 1.043 590 S CA 0.642 58.837 58.200 -0.008 0.000 0.948 590 S CB -0.153 63.049 63.200 0.004 0.000 0.810 590 S HN 0.717 nan 8.310 nan 0.000 0.504 591 S N 2.429 118.122 115.700 -0.013 0.000 2.343 591 S HA 0.056 4.562 4.470 0.060 0.000 0.219 591 S C 1.509 176.092 174.600 -0.029 0.000 1.033 591 S CA 0.980 59.170 58.200 -0.017 0.000 1.014 591 S CB -0.920 62.273 63.200 -0.011 0.000 0.915 591 S HN 0.862 nan 8.310 nan 0.000 0.435 592 R N 1.988 122.461 120.500 -0.045 0.000 2.860 592 R HA 0.673 5.049 4.340 0.060 0.000 0.282 592 R C -3.123 173.133 176.300 -0.072 0.000 1.408 592 R CA -2.164 53.903 56.100 -0.056 0.000 1.636 592 R CB -0.964 29.298 30.300 -0.063 0.000 1.187 592 R HN 0.452 nan 8.270 nan 0.000 0.611 593 P HA 0.266 nan 4.420 nan 0.000 0.265 593 P C 1.067 178.317 177.300 -0.083 0.000 1.187 593 P CA 1.789 64.845 63.100 -0.074 0.000 0.766 593 P CB 1.308 32.977 31.700 -0.052 0.000 0.820 594 G N 0.308 109.043 108.800 -0.108 0.000 2.260 594 G HA2 0.145 4.141 3.960 0.060 0.000 0.179 594 G HA3 0.145 4.141 3.960 0.060 0.000 0.179 594 G C -0.029 174.787 174.900 -0.141 0.000 1.002 594 G CA 0.064 45.100 45.100 -0.106 0.000 0.677 594 G HN 0.870 nan 8.290 nan 0.000 0.486 595 A N -1.234 121.475 122.820 -0.184 0.000 2.556 595 A HA 0.870 5.226 4.320 0.060 0.000 0.294 595 A C -0.554 176.835 177.584 -0.326 0.000 1.091 595 A CA 0.042 51.940 52.037 -0.231 0.000 0.704 595 A CB 1.639 20.523 19.000 -0.193 0.000 1.300 595 A HN 1.300 nan 8.150 nan 0.000 0.406 596 c N -0.681 117.691 118.600 -0.381 0.000 3.173 596 c HA 0.601 5.208 4.570 0.060 0.000 0.310 596 c C -1.008 172.953 174.090 -0.216 0.000 1.306 596 c CA -0.909 55.172 56.329 -0.413 0.000 1.426 596 c CB 0.791 42.730 42.510 -0.950 0.000 1.800 596 c HN 0.783 nan 8.230 nan 0.000 0.470 597 Y N 1.375 121.649 120.300 -0.044 0.000 2.597 597 Y HA 0.137 4.723 4.550 0.060 0.000 0.336 597 Y C 1.949 177.916 175.900 0.112 0.000 1.216 597 Y CA 0.910 59.014 58.100 0.008 0.000 1.463 597 Y CB 0.635 39.068 38.460 -0.045 0.000 1.303 597 Y HN 0.873 nan 8.280 nan 0.000 0.576 598 S N 2.789 118.631 115.700 0.236 0.000 2.406 598 S HA 0.029 4.536 4.470 0.060 0.000 0.228 598 S C 0.406 175.122 174.600 0.193 0.000 1.020 598 S CA 0.438 58.794 58.200 0.261 0.000 0.965 598 S CB -0.000 63.320 63.200 0.201 0.000 0.798 598 S HN 0.650 nan 8.310 nan 0.000 0.488 599 R N 1.241 121.731 120.500 -0.017 0.000 2.686 599 R HA 0.560 4.936 4.340 0.060 0.000 0.286 599 R C -3.221 172.758 176.300 -0.535 0.000 0.969 599 R CA -2.631 53.172 56.100 -0.496 0.000 0.898 599 R CB 1.060 31.168 30.300 -0.319 0.000 1.183 599 R HN 0.113 nan 8.270 nan 0.000 0.456 600 P HA 0.001 nan 4.420 nan 0.000 0.272 600 P C -0.688 176.326 177.300 -0.476 0.000 1.243 600 P CA 0.053 62.711 63.100 -0.737 0.000 0.803 600 P CB 0.504 31.643 31.700 -0.935 0.000 0.974 601 L N -0.138 120.853 121.223 -0.387 0.000 2.333 601 L HA 0.757 5.134 4.340 0.060 0.000 0.269 601 L C 0.253 177.002 176.870 -0.203 0.000 1.010 601 L CA -0.779 53.862 54.840 -0.331 0.000 0.818 601 L CB 1.759 43.564 42.059 -0.424 0.000 1.306 601 L HN 0.201 nan 8.230 nan 0.000 0.430 602 V N -2.186 117.642 119.914 -0.144 0.000 3.130 602 V HA 0.847 5.003 4.120 0.060 0.000 0.308 602 V C -0.685 175.389 176.094 -0.034 0.000 1.413 602 V CA -0.517 61.730 62.300 -0.087 0.000 1.053 602 V CB 1.915 33.695 31.823 -0.072 0.000 1.075 602 V HN 0.721 nan 8.190 nan 0.000 0.465 603 S N -0.178 115.522 115.700 -0.000 0.000 2.638 603 S HA 1.042 5.548 4.470 0.060 0.000 0.274 603 S C -1.104 173.552 174.600 0.093 0.000 1.157 603 S CA -0.086 58.105 58.200 -0.016 0.000 0.826 603 S CB 1.944 65.083 63.200 -0.101 0.000 1.139 603 S HN 1.921 nan 8.310 nan 0.000 0.474 604 F N -1.215 118.646 119.950 -0.148 0.000 3.194 604 F HA 0.659 5.222 4.527 0.060 0.000 0.327 604 F C -1.969 173.751 175.800 -0.132 0.000 1.141 604 F CA -1.336 56.565 58.000 -0.165 0.000 0.862 604 F CB 0.914 39.768 39.000 -0.242 0.000 1.447 604 F HN 0.398 nan 8.300 nan 0.000 0.479 605 R N 0.990 121.570 120.500 0.133 0.000 2.451 605 R HA 0.346 4.722 4.340 0.060 0.000 0.307 605 R C -0.546 175.911 176.300 0.262 0.000 0.965 605 R CA -0.854 55.284 56.100 0.063 0.000 0.865 605 R CB 1.514 31.845 30.300 0.051 0.000 1.174 605 R HN 0.766 nan 8.270 nan 0.000 0.455 606 Y N 1.350 121.793 120.300 0.238 0.000 2.030 606 Y HA -0.226 4.360 4.550 0.060 0.000 0.274 606 Y C 1.287 177.264 175.900 0.129 0.000 1.153 606 Y CA 1.668 59.921 58.100 0.255 0.000 1.115 606 Y CB 0.206 38.772 38.460 0.176 0.000 0.969 606 Y HN 0.421 nan 8.280 nan 0.000 0.488 607 E N 0.650 121.007 120.200 0.262 0.000 2.391 607 E HA -0.056 4.330 4.350 0.060 0.000 0.255 607 E C 0.928 177.591 176.600 0.105 0.000 1.187 607 E CA 0.113 56.600 56.400 0.145 0.000 0.941 607 E CB 0.301 30.059 29.700 0.097 0.000 1.010 607 E HN 0.306 nan 8.360 nan 0.000 0.458 608 D N 0.434 120.877 120.400 0.072 0.000 2.104 608 D HA -0.140 4.536 4.640 0.060 0.000 0.194 608 D C 0.219 176.545 176.300 0.044 0.000 0.994 608 D CA 1.464 55.495 54.000 0.052 0.000 0.830 608 D CB 0.253 41.076 40.800 0.038 0.000 0.959 608 D HN 0.150 nan 8.370 nan 0.000 0.452 609 Q N -0.015 119.808 119.800 0.039 0.000 2.932 609 Q HA 0.530 4.906 4.340 0.060 0.000 0.248 609 Q C 0.007 176.023 176.000 0.027 0.000 0.982 609 Q CA -0.261 55.558 55.803 0.028 0.000 0.730 609 Q CB 1.564 30.314 28.738 0.019 0.000 1.249 609 Q HN 0.163 nan 8.270 nan 0.000 0.476 610 G N 1.763 110.581 108.800 0.029 0.000 3.253 610 G HA2 0.633 4.629 3.960 0.060 0.000 0.175 610 G HA3 0.633 4.629 3.960 0.060 0.000 0.175 610 G C -2.536 172.366 174.900 0.003 0.000 1.098 610 G CA -0.487 44.628 45.100 0.025 0.000 0.790 610 G HN 0.286 nan 8.290 nan 0.000 0.648 611 P HA 0.393 nan 4.420 nan 0.000 0.276 611 P C -1.080 176.161 177.300 -0.099 0.000 1.261 611 P CA -0.409 62.667 63.100 -0.040 0.000 0.800 611 P CB 1.566 33.249 31.700 -0.028 0.000 1.066 612 L N 1.537 122.679 121.223 -0.136 0.000 2.494 612 L HA 0.168 4.544 4.340 0.060 0.000 0.251 612 L C -0.401 176.269 176.870 -0.333 0.000 1.119 612 L CA -0.674 54.041 54.840 -0.210 0.000 1.026 612 L CB -0.396 41.583 42.059 -0.135 0.000 1.370 612 L HN 0.034 nan 8.230 nan 0.000 0.426 613 V N 1.978 121.528 119.914 -0.606 0.000 2.673 613 V HA 0.078 4.234 4.120 0.060 0.000 0.303 613 V C 0.552 176.218 176.094 -0.713 0.000 1.046 613 V CA -0.244 61.596 62.300 -0.767 0.000 1.126 613 V CB 0.612 31.626 31.823 -1.349 0.000 0.934 613 V HN 0.660 nan 8.190 nan 0.000 0.487 614 E N 2.680 122.691 120.200 -0.316 0.000 2.165 614 E HA 0.634 5.020 4.350 0.060 0.000 0.266 614 E C 0.046 176.629 176.600 -0.029 0.000 0.889 614 E CA -0.192 56.120 56.400 -0.146 0.000 0.756 614 E CB 1.582 31.215 29.700 -0.111 0.000 1.131 614 E HN 0.883 nan 8.360 nan 0.000 0.411 615 G N 2.872 111.702 108.800 0.050 0.000 3.135 615 G HA2 0.416 4.412 3.960 0.060 0.000 0.278 615 G HA3 0.416 4.412 3.960 0.060 0.000 0.278 615 G C -1.289 173.592 174.900 -0.032 0.000 1.302 615 G CA -0.645 44.487 45.100 0.054 0.000 0.880 615 G HN 0.573 nan 8.290 nan 0.000 0.574 616 Q N -1.136 118.636 119.800 -0.046 0.000 2.451 616 Q HA 0.693 5.069 4.340 0.060 0.000 0.281 616 Q C -1.145 174.802 176.000 -0.088 0.000 1.099 616 Q CA -0.950 54.777 55.803 -0.126 0.000 0.806 616 Q CB 2.293 30.922 28.738 -0.182 0.000 1.419 616 Q HN 0.538 nan 8.270 nan 0.000 0.427 617 L N 1.636 122.774 121.223 -0.142 0.000 2.499 617 L HA 0.478 4.854 4.340 0.060 0.000 0.273 617 L C -0.014 176.832 176.870 -0.040 0.000 1.195 617 L CA 1.249 56.041 54.840 -0.080 0.000 0.882 617 L CB 0.568 42.536 42.059 -0.152 0.000 1.133 617 L HN 0.855 nan 8.230 nan 0.000 0.483 618 G N 3.571 112.400 108.800 0.047 0.000 3.016 618 G HA2 0.413 4.409 3.960 0.060 0.000 0.270 618 G HA3 0.413 4.409 3.960 0.060 0.000 0.270 618 G C -1.055 173.922 174.900 0.128 0.000 1.352 618 G CA -0.778 44.368 45.100 0.077 0.000 1.060 618 G HN 0.667 nan 8.290 nan 0.000 0.538 619 E N 1.223 121.498 120.200 0.125 0.000 2.415 619 E HA 0.024 4.410 4.350 0.060 0.000 0.260 619 E C 0.259 176.939 176.600 0.133 0.000 1.016 619 E CA 0.090 56.572 56.400 0.138 0.000 0.924 619 E CB 0.326 30.092 29.700 0.110 0.000 0.961 619 E HN 0.559 nan 8.360 nan 0.000 0.459 620 N N 3.926 122.715 118.700 0.149 0.000 2.708 620 N HA -0.255 4.521 4.740 0.060 0.000 0.255 620 N C -0.691 174.894 175.510 0.125 0.000 1.046 620 N CA 0.571 53.691 53.050 0.118 0.000 0.715 620 N CB -0.868 37.666 38.487 0.079 0.000 0.895 620 N HN 0.715 nan 8.380 nan 0.000 0.545 621 N N -0.909 117.898 118.700 0.179 0.000 2.809 621 N HA -0.254 4.523 4.740 0.060 0.000 0.244 621 N C -0.155 175.509 175.510 0.256 0.000 1.018 621 N CA 1.674 54.873 53.050 0.249 0.000 0.917 621 N CB -0.864 37.672 38.487 0.082 0.000 1.130 621 N HN 0.843 nan 8.380 nan 0.000 0.591 622 E N 0.500 120.808 120.200 0.179 0.000 2.324 622 E HA 0.208 4.594 4.350 0.060 0.000 0.271 622 E C -0.187 176.479 176.600 0.110 0.000 1.028 622 E CA -0.504 55.985 56.400 0.149 0.000 0.890 622 E CB 0.415 30.178 29.700 0.105 0.000 1.004 622 E HN 0.235 nan 8.360 nan 0.000 0.431 623 L N 4.700 125.967 121.223 0.073 0.000 2.371 623 L HA 0.309 4.686 4.340 0.060 0.000 0.272 623 L C -0.191 176.705 176.870 0.044 0.000 1.124 623 L CA 0.068 54.915 54.840 0.012 0.000 0.816 623 L CB 0.845 42.833 42.059 -0.119 0.000 1.129 623 L HN 0.561 nan 8.230 nan 0.000 0.448 624 R N 3.418 123.946 120.500 0.046 0.000 2.532 624 R HA 0.321 4.698 4.340 0.060 0.000 0.272 624 R C 0.323 176.674 176.300 0.086 0.000 1.032 624 R CA -0.793 55.345 56.100 0.063 0.000 1.089 624 R CB 0.756 31.089 30.300 0.055 0.000 1.098 624 R HN 0.557 nan 8.270 nan 0.000 0.526 625 L N 0.165 121.444 121.223 0.094 0.000 2.513 625 L HA 0.090 4.466 4.340 0.060 0.000 0.222 625 L C 0.928 177.858 176.870 0.099 0.000 1.096 625 L CA 0.972 55.882 54.840 0.117 0.000 0.857 625 L CB -0.132 41.994 42.059 0.112 0.000 1.026 625 L HN 0.859 nan 8.230 nan 0.000 0.469 626 T N -2.794 111.808 114.554 0.079 0.000 2.591 626 T HA 0.529 4.915 4.350 0.060 0.000 0.274 626 T C -0.155 174.589 174.700 0.073 0.000 0.945 626 T CA -0.972 61.170 62.100 0.071 0.000 1.087 626 T CB 1.366 70.271 68.868 0.063 0.000 1.416 626 T HN 0.126 nan 8.240 nan 0.000 0.514 627 R N 0.687 121.240 120.500 0.087 0.000 2.587 627 R HA 0.527 4.903 4.340 0.060 0.000 0.283 627 R C -1.338 175.051 176.300 0.148 0.000 1.472 627 R CA -0.597 55.589 56.100 0.143 0.000 1.578 627 R CB 0.108 30.516 30.300 0.180 0.000 1.130 627 R HN 0.429 nan 8.270 nan 0.000 0.602 628 D N 1.279 121.747 120.400 0.114 0.000 2.454 628 D HA 0.062 4.739 4.640 0.060 0.000 0.214 628 D C 0.518 176.858 176.300 0.067 0.000 1.088 628 D CA 0.083 54.126 54.000 0.071 0.000 0.855 628 D CB 0.790 41.622 40.800 0.053 0.000 1.025 628 D HN 0.537 nan 8.370 nan 0.000 0.502 629 A N 1.196 124.084 122.820 0.112 0.000 2.906 629 A HA 0.419 4.775 4.320 0.060 0.000 0.289 629 A C -0.324 177.323 177.584 0.105 0.000 1.675 629 A CA 0.105 52.207 52.037 0.108 0.000 1.372 629 A CB -1.124 17.945 19.000 0.114 0.000 1.091 629 A HN 0.046 nan 8.150 nan 0.000 0.579 630 I N 1.066 121.632 120.570 -0.005 0.000 2.608 630 I HA 0.553 4.759 4.170 0.060 0.000 0.295 630 I C -0.223 175.857 176.117 -0.061 0.000 1.049 630 I CA -0.370 60.856 61.300 -0.124 0.000 1.063 630 I CB 2.533 40.338 38.000 -0.324 0.000 1.248 630 I HN 0.737 nan 8.210 nan 0.000 0.424 631 E N 4.578 124.746 120.200 -0.054 0.000 2.413 631 E HA 0.659 5.046 4.350 0.060 0.000 0.277 631 E C -2.974 173.594 176.600 -0.052 0.000 0.958 631 E CA -2.306 54.086 56.400 -0.013 0.000 0.779 631 E CB 1.475 31.216 29.700 0.069 0.000 1.278 631 E HN 0.087 nan 8.360 nan 0.000 0.456 632 P HA 0.027 nan 4.420 nan 0.000 0.264 632 P C -0.447 176.816 177.300 -0.063 0.000 1.193 632 P CA -0.309 62.751 63.100 -0.067 0.000 0.763 632 P CB 0.330 32.011 31.700 -0.032 0.000 0.810 633 c N 2.801 121.308 118.600 -0.156 0.000 2.689 633 c HA 0.431 5.037 4.570 0.060 0.000 0.409 633 c C 1.214 175.286 174.090 -0.031 0.000 1.293 633 c CA 0.277 56.507 56.329 -0.166 0.000 2.136 633 c CB -0.460 41.836 42.510 -0.358 0.000 2.719 633 c HN 0.683 nan 8.230 nan 0.000 0.644 634 T N -0.351 114.199 114.554 -0.006 0.000 2.887 634 T HA 0.610 4.996 4.350 0.060 0.000 0.292 634 T C -0.541 174.242 174.700 0.139 0.000 1.087 634 T CA -0.645 61.512 62.100 0.095 0.000 1.009 634 T CB 1.190 70.181 68.868 0.204 0.000 1.203 634 T HN 0.606 nan 8.240 nan 0.000 0.518 635 V N 0.790 120.779 119.914 0.124 0.000 3.036 635 V HA 0.589 4.746 4.120 0.060 0.000 0.308 635 V C 1.624 177.791 176.094 0.121 0.000 1.070 635 V CA 1.080 63.446 62.300 0.111 0.000 1.056 635 V CB 0.570 32.435 31.823 0.071 0.000 1.084 635 V HN 1.850 nan 8.190 nan 0.000 0.471 636 G N 2.421 111.275 108.800 0.090 0.000 2.233 636 G HA2 -0.303 3.694 3.960 0.060 0.000 0.270 636 G HA3 -0.303 3.694 3.960 0.060 0.000 0.270 636 G C 0.153 175.084 174.900 0.052 0.000 1.011 636 G CA 0.941 46.078 45.100 0.062 0.000 0.762 636 G HN 1.295 nan 8.290 nan 0.000 0.511 637 H N 0.498 119.538 119.070 -0.049 0.000 3.082 637 H HA 0.536 5.128 4.556 0.060 0.000 0.275 637 H C 0.876 176.085 175.328 -0.200 0.000 1.032 637 H CA 0.509 56.472 56.048 -0.141 0.000 1.477 637 H CB 0.255 29.873 29.762 -0.240 0.000 1.520 637 H HN 0.433 nan 8.280 nan 0.000 0.521 638 R N 4.248 124.532 120.500 -0.359 0.000 2.538 638 R HA 0.497 4.873 4.340 0.060 0.000 0.292 638 R C -0.773 175.268 176.300 -0.432 0.000 1.008 638 R CA -1.027 54.875 56.100 -0.330 0.000 0.896 638 R CB 1.592 31.848 30.300 -0.073 0.000 1.187 638 R HN 0.462 nan 8.270 nan 0.000 0.440 639 R N 2.985 123.163 120.500 -0.536 0.000 2.514 639 R HA 0.278 4.655 4.340 0.060 0.000 0.296 639 R C -1.353 174.616 176.300 -0.552 0.000 1.012 639 R CA -0.794 54.976 56.100 -0.550 0.000 0.897 639 R CB 1.448 31.467 30.300 -0.468 0.000 1.184 639 R HN 0.542 nan 8.270 nan 0.000 0.440 640 Y N 2.479 122.570 120.300 -0.349 0.000 2.334 640 Y HA 0.511 5.097 4.550 0.061 0.000 0.328 640 Y C 0.184 175.848 175.900 -0.394 0.000 1.130 640 Y CA -0.325 57.670 58.100 -0.174 0.000 1.163 640 Y CB 1.181 39.524 38.460 -0.196 0.000 1.207 640 Y HN 0.364 nan 8.280 nan 0.000 0.471 641 F N -0.242 119.929 119.950 0.368 0.000 2.576 641 F HA 0.366 4.929 4.527 0.060 0.000 0.313 641 F C 0.028 176.087 175.800 0.431 0.000 1.078 641 F CA -1.225 56.963 58.000 0.313 0.000 0.921 641 F CB 1.913 41.011 39.000 0.164 0.000 1.232 641 F HN 0.246 nan 8.300 nan 0.000 0.459 642 T N 3.407 118.288 114.554 0.546 0.000 2.750 642 T HA 0.194 4.580 4.350 0.060 0.000 0.286 642 T C -1.124 173.817 174.700 0.401 0.000 0.911 642 T CA 0.486 62.796 62.100 0.350 0.000 1.130 642 T CB -0.647 68.360 68.868 0.232 0.000 0.873 642 T HN 0.372 nan 8.240 nan 0.000 0.536 643 F N 3.243 123.295 119.950 0.170 0.000 2.617 643 F HA 0.533 5.097 4.527 0.060 0.000 0.325 643 F C 0.625 176.505 175.800 0.134 0.000 1.179 643 F CA 0.098 58.239 58.000 0.235 0.000 0.965 643 F CB 0.543 39.724 39.000 0.301 0.000 1.232 643 F HN 0.819 nan 8.300 nan 0.000 0.461 644 G N 3.951 112.405 108.800 -0.576 0.000 2.566 644 G HA2 -0.278 3.718 3.960 0.060 0.000 0.280 644 G HA3 -0.278 3.718 3.960 0.060 0.000 0.280 644 G C 1.029 175.716 174.900 -0.356 0.000 1.225 644 G CA 0.286 44.997 45.100 -0.648 0.000 0.966 644 G HN 1.562 nan 8.290 nan 0.000 0.560 645 G N 0.001 108.655 108.800 -0.244 0.000 2.433 645 G HA2 0.370 4.366 3.960 0.060 0.000 0.216 645 G HA3 0.370 4.366 3.960 0.060 0.000 0.216 645 G C 1.287 176.084 174.900 -0.172 0.000 1.186 645 G CA 2.116 47.116 45.100 -0.167 0.000 0.779 645 G HN 1.748 nan 8.290 nan 0.000 0.543 646 G N -1.442 107.295 108.800 -0.106 0.000 2.849 646 G HA2 0.542 4.539 3.960 0.060 0.000 0.174 646 G HA3 0.542 4.539 3.960 0.060 0.000 0.174 646 G C -0.594 174.193 174.900 -0.188 0.000 1.370 646 G CA -0.773 44.244 45.100 -0.138 0.000 1.040 646 G HN 0.192 nan 8.290 nan 0.000 0.582 647 Y N -2.333 118.093 120.300 0.210 0.000 2.782 647 Y HA 0.673 5.260 4.550 0.060 0.000 0.329 647 Y C 0.005 176.127 175.900 0.370 0.000 1.192 647 Y CA -0.761 57.513 58.100 0.290 0.000 1.216 647 Y CB 1.626 40.234 38.460 0.247 0.000 1.447 647 Y HN 0.367 nan 8.280 nan 0.000 0.616 648 V N 0.271 120.544 119.914 0.598 0.000 2.752 648 V HA 0.369 4.526 4.120 0.060 0.000 0.302 648 V C -2.255 174.095 176.094 0.427 0.000 1.133 648 V CA -0.705 61.869 62.300 0.457 0.000 0.919 648 V CB 1.455 33.553 31.823 0.458 0.000 1.026 648 V HN 0.585 nan 8.190 nan 0.000 0.429 649 Y N 6.939 127.226 120.300 -0.021 0.000 2.335 649 Y HA 0.708 5.295 4.550 0.060 0.000 0.339 649 Y C -1.124 174.671 175.900 -0.175 0.000 0.987 649 Y CA -1.246 56.714 58.100 -0.234 0.000 1.140 649 Y CB 1.543 39.689 38.460 -0.524 0.000 1.173 649 Y HN 0.610 nan 8.280 nan 0.000 0.486 650 F N 5.071 124.570 119.950 -0.752 0.000 2.359 650 F HA 0.251 4.814 4.527 0.060 0.000 0.370 650 F C 0.133 175.422 175.800 -0.851 0.000 1.077 650 F CA -0.878 56.784 58.000 -0.564 0.000 1.136 650 F CB 0.853 39.768 39.000 -0.142 0.000 1.387 650 F HN 0.510 nan 8.300 nan 0.000 0.468 651 E N 4.238 123.923 120.200 -0.858 0.000 1.944 651 E HA 0.048 4.435 4.350 0.060 0.000 0.272 651 E C -0.225 176.257 176.600 -0.197 0.000 1.195 651 E CA 0.247 56.315 56.400 -0.554 0.000 0.926 651 E CB 0.144 29.698 29.700 -0.245 0.000 1.051 651 E HN 0.404 nan 8.360 nan 0.000 0.404 652 E N 3.630 123.744 120.200 -0.144 0.000 2.257 652 E HA -0.265 4.121 4.350 0.060 0.000 0.217 652 E C -1.077 175.604 176.600 0.136 0.000 1.248 652 E CA 0.807 57.203 56.400 -0.006 0.000 0.691 652 E CB -1.720 28.025 29.700 0.075 0.000 1.185 652 E HN 0.824 nan 8.360 nan 0.000 0.377 653 Y N -3.236 117.191 120.300 0.212 0.000 3.057 653 Y HA -0.200 4.386 4.550 0.060 0.000 0.192 653 Y C 0.500 176.555 175.900 0.258 0.000 1.448 653 Y CA 0.849 59.115 58.100 0.278 0.000 1.065 653 Y CB -1.429 37.116 38.460 0.142 0.000 1.369 653 Y HN 0.617 nan 8.280 nan 0.000 0.460 654 A N 0.153 123.145 122.820 0.286 0.000 2.573 654 A HA 0.511 4.867 4.320 0.060 0.000 0.299 654 A C -1.370 175.828 177.584 -0.644 0.000 1.060 654 A CA -0.951 51.053 52.037 -0.055 0.000 0.736 654 A CB 0.444 19.440 19.000 -0.005 0.000 1.280 654 A HN 0.435 nan 8.150 nan 0.000 0.401 655 Y N 2.454 122.213 120.300 -0.902 0.000 2.544 655 Y HA 0.365 4.952 4.550 0.060 0.000 0.330 655 Y C 1.039 176.693 175.900 -0.410 0.000 1.136 655 Y CA 1.545 59.074 58.100 -0.952 0.000 1.417 655 Y CB 0.975 39.079 38.460 -0.593 0.000 1.229 655 Y HN 0.625 nan 8.280 nan 0.000 0.532 656 S N 4.155 119.332 115.700 -0.872 0.000 2.694 656 S HA 0.119 4.626 4.470 0.060 0.000 0.225 656 S C -0.683 173.631 174.600 -0.477 0.000 1.012 656 S CA 0.540 58.503 58.200 -0.394 0.000 0.896 656 S CB 0.058 63.261 63.200 0.005 0.000 0.838 656 S HN 0.873 nan 8.310 nan 0.000 0.604 657 H N -0.105 118.499 119.070 -0.776 0.000 2.969 657 H HA 0.418 5.010 4.556 0.060 0.000 0.304 657 H C -1.861 173.353 175.328 -0.190 0.000 1.400 657 H CA -0.869 54.914 56.048 -0.442 0.000 1.182 657 H CB 0.246 29.940 29.762 -0.114 0.000 1.865 657 H HN 0.113 nan 8.280 nan 0.000 0.512 658 Q N 0.848 120.716 119.800 0.114 0.000 2.221 658 Q HA 0.696 5.073 4.340 0.060 0.000 0.242 658 Q C -0.300 175.840 176.000 0.233 0.000 0.940 658 Q CA -0.874 55.051 55.803 0.203 0.000 0.896 658 Q CB 2.270 31.212 28.738 0.341 0.000 1.226 658 Q HN 0.420 nan 8.270 nan 0.000 0.463 659 L N -0.520 120.850 121.223 0.245 0.000 2.397 659 L HA 0.551 4.928 4.340 0.060 0.000 0.251 659 L C -0.659 176.344 176.870 0.222 0.000 1.064 659 L CA -0.811 54.170 54.840 0.236 0.000 0.859 659 L CB 2.326 44.521 42.059 0.226 0.000 1.468 659 L HN 0.518 nan 8.230 nan 0.000 0.411 660 S N -1.027 114.779 115.700 0.178 0.000 2.578 660 S HA 0.423 4.929 4.470 0.060 0.000 0.301 660 S C 0.772 175.475 174.600 0.171 0.000 1.091 660 S CA -0.607 57.675 58.200 0.136 0.000 1.032 660 S CB 1.692 64.944 63.200 0.087 0.000 1.064 660 S HN 0.596 nan 8.310 nan 0.000 0.508 661 R N 1.902 122.488 120.500 0.144 0.000 2.139 661 R HA -0.141 4.235 4.340 0.060 0.000 0.243 661 R C 2.312 178.682 176.300 0.116 0.000 1.145 661 R CA 1.477 57.705 56.100 0.213 0.000 0.976 661 R CB -0.759 29.605 30.300 0.106 0.000 0.866 661 R HN 0.720 nan 8.270 nan 0.000 0.449 662 A N 1.951 124.813 122.820 0.071 0.000 1.892 662 A HA -0.238 4.118 4.320 0.060 0.000 0.218 662 A C 1.609 179.210 177.584 0.028 0.000 1.188 662 A CA 1.966 54.028 52.037 0.041 0.000 0.631 662 A CB -0.462 18.558 19.000 0.034 0.000 0.822 662 A HN 0.220 nan 8.150 nan 0.000 0.447 663 D N -0.111 120.314 120.400 0.040 0.000 2.158 663 D HA -0.100 4.576 4.640 0.060 0.000 0.197 663 D C 0.569 176.850 176.300 -0.031 0.000 0.995 663 D CA 0.775 54.784 54.000 0.015 0.000 0.846 663 D CB -0.288 40.536 40.800 0.040 0.000 0.941 663 D HN 0.278 nan 8.370 nan 0.000 0.456 664 I N 2.781 123.327 120.570 -0.040 0.000 2.337 664 I HA 0.008 4.215 4.170 0.060 0.000 0.291 664 I C 0.904 176.973 176.117 -0.079 0.000 1.046 664 I CA -0.282 60.944 61.300 -0.123 0.000 1.324 664 I CB 0.134 38.001 38.000 -0.222 0.000 1.409 664 I HN -0.120 nan 8.210 nan 0.000 0.494 665 T N 3.154 117.654 114.554 -0.090 0.000 2.939 665 T HA 0.079 4.466 4.350 0.060 0.000 0.312 665 T C 0.397 175.056 174.700 -0.068 0.000 1.064 665 T CA -0.288 61.772 62.100 -0.067 0.000 1.136 665 T CB -0.051 68.775 68.868 -0.071 0.000 1.035 665 T HN 0.617 nan 8.240 nan 0.000 0.538 666 T N 3.037 117.562 114.554 -0.049 0.000 2.807 666 T HA 0.614 5.000 4.350 0.060 0.000 0.279 666 T C 0.425 175.086 174.700 -0.065 0.000 0.993 666 T CA -0.729 61.341 62.100 -0.050 0.000 0.970 666 T CB 1.299 70.150 68.868 -0.029 0.000 0.950 666 T HN 0.919 nan 8.240 nan 0.000 0.441 667 V N 0.070 119.931 119.914 -0.087 0.000 3.204 667 V HA 1.004 5.160 4.120 0.060 0.000 0.316 667 V C -0.149 175.844 176.094 -0.169 0.000 1.160 667 V CA -0.922 61.314 62.300 -0.106 0.000 1.044 667 V CB 1.847 33.611 31.823 -0.098 0.000 1.136 667 V HN 0.826 nan 8.190 nan 0.000 0.455 668 S N -1.027 114.547 115.700 -0.210 0.000 2.588 668 S HA 0.586 5.092 4.470 0.060 0.000 0.275 668 S C 0.333 174.715 174.600 -0.364 0.000 1.130 668 S CA 0.207 58.164 58.200 -0.405 0.000 0.855 668 S CB 1.971 64.919 63.200 -0.419 0.000 1.116 668 S HN 1.584 nan 8.310 nan 0.000 0.472 669 T N 0.693 114.914 114.554 -0.555 0.000 3.105 669 T HA 0.411 4.797 4.350 0.060 0.000 0.253 669 T C -0.235 174.485 174.700 0.033 0.000 1.047 669 T CA -0.104 61.866 62.100 -0.216 0.000 0.944 669 T CB -0.536 68.263 68.868 -0.116 0.000 1.016 669 T HN 0.289 nan 8.240 nan 0.000 0.544 670 F N 1.528 121.484 119.950 0.010 0.000 2.399 670 F HA 0.600 5.164 4.527 0.060 0.000 0.328 670 F C 0.484 176.293 175.800 0.016 0.000 1.084 670 F CA -3.179 54.832 58.000 0.018 0.000 1.053 670 F CB 0.498 39.512 39.000 0.022 0.000 1.209 670 F HN -0.007 nan 8.300 nan 0.000 0.502 671 I N 2.773 123.476 120.570 0.223 0.000 2.312 671 I HA 0.179 4.385 4.170 0.060 0.000 0.290 671 I C -0.139 176.044 176.117 0.110 0.000 1.008 671 I CA -0.855 60.521 61.300 0.126 0.000 1.226 671 I CB 0.600 38.654 38.000 0.091 0.000 1.371 671 I HN 0.422 nan 8.210 nan 0.000 0.468 672 D N 5.785 126.239 120.400 0.090 0.000 2.423 672 D HA 0.234 4.911 4.640 0.060 0.000 0.238 672 D C -0.210 176.120 176.300 0.049 0.000 1.142 672 D CA 0.165 54.208 54.000 0.071 0.000 0.884 672 D CB 1.606 42.440 40.800 0.056 0.000 1.199 672 D HN 0.212 nan 8.370 nan 0.000 0.438 673 L N 2.666 123.911 121.223 0.037 0.000 2.563 673 L HA 0.174 4.550 4.340 0.060 0.000 0.259 673 L C -0.909 175.970 176.870 0.015 0.000 1.034 673 L CA -0.563 54.291 54.840 0.024 0.000 0.899 673 L CB 0.916 42.988 42.059 0.023 0.000 1.159 673 L HN 0.116 nan 8.230 nan 0.000 0.456 674 N N 5.089 123.797 118.700 0.013 0.000 2.739 674 N HA 0.234 5.010 4.740 0.060 0.000 0.266 674 N C -0.722 174.790 175.510 0.003 0.000 1.168 674 N CA 0.120 53.175 53.050 0.008 0.000 1.055 674 N CB -0.105 38.387 38.487 0.010 0.000 1.393 674 N HN 0.605 nan 8.380 nan 0.000 0.514 675 I N 1.765 122.334 120.570 -0.002 0.000 2.365 675 I HA 0.169 4.376 4.170 0.060 0.000 0.291 675 I C 0.922 177.035 176.117 -0.007 0.000 1.004 675 I CA -0.300 60.996 61.300 -0.007 0.000 1.311 675 I CB 1.173 39.165 38.000 -0.015 0.000 1.401 675 I HN 0.412 nan 8.210 nan 0.000 0.491 676 T N 3.697 118.248 114.554 -0.006 0.000 2.841 676 T HA 0.688 5.075 4.350 0.060 0.000 0.276 676 T C -0.358 174.338 174.700 -0.006 0.000 1.003 676 T CA -1.008 61.088 62.100 -0.006 0.000 0.995 676 T CB 1.747 70.613 68.868 -0.003 0.000 1.260 676 T HN 0.393 nan 8.240 nan 0.000 0.581 677 M N 0.958 120.555 119.600 -0.005 0.000 2.578 677 M HA 0.495 5.011 4.480 0.060 0.000 0.321 677 M C -0.975 175.325 176.300 0.000 0.000 1.182 677 M CA -1.140 54.158 55.300 -0.003 0.000 0.965 677 M CB 1.984 34.582 32.600 -0.003 0.000 1.694 677 M HN 0.527 nan 8.290 nan 0.000 0.461 678 L N 3.902 125.127 121.223 0.003 0.000 2.456 678 L HA 0.125 4.502 4.340 0.060 0.000 0.277 678 L C 0.578 177.454 176.870 0.010 0.000 1.124 678 L CA 0.089 54.933 54.840 0.006 0.000 0.880 678 L CB -0.066 41.999 42.059 0.011 0.000 1.192 678 L HN 0.615 nan 8.230 nan 0.000 0.463 679 E N 4.022 124.228 120.200 0.009 0.000 2.447 679 E HA -0.059 4.327 4.350 0.060 0.000 0.259 679 E C -0.916 175.697 176.600 0.021 0.000 1.196 679 E CA -0.051 56.356 56.400 0.012 0.000 0.995 679 E CB 0.266 29.973 29.700 0.012 0.000 0.974 679 E HN 0.538 nan 8.360 nan 0.000 0.465 680 D N 1.043 121.452 120.400 0.014 0.000 2.350 680 D HA 0.155 4.832 4.640 0.060 0.000 0.249 680 D C -0.135 176.177 176.300 0.019 0.000 1.119 680 D CA 0.425 54.431 54.000 0.011 0.000 0.886 680 D CB 0.352 41.146 40.800 -0.010 0.000 1.195 680 D HN 0.398 nan 8.370 nan 0.000 0.437 681 H N 1.028 120.020 119.070 -0.130 0.000 2.974 681 H HA 0.220 4.812 4.556 0.060 0.000 0.366 681 H C -1.146 173.965 175.328 -0.362 0.000 1.155 681 H CA -0.626 55.279 56.048 -0.239 0.000 1.186 681 H CB 1.911 31.499 29.762 -0.290 0.000 1.799 681 H HN 0.528 nan 8.280 nan 0.000 0.541 682 E N 4.115 123.832 120.200 -0.806 0.000 2.212 682 E HA 0.353 4.739 4.350 0.060 0.000 0.268 682 E C -1.451 174.804 176.600 -0.576 0.000 0.902 682 E CA -0.931 55.169 56.400 -0.500 0.000 0.779 682 E CB 1.667 31.215 29.700 -0.253 0.000 1.172 682 E HN 0.200 nan 8.360 nan 0.000 0.409 683 F N 2.621 122.597 119.950 0.043 0.000 2.350 683 F HA 0.190 4.753 4.527 0.060 0.000 0.365 683 F C 0.509 176.324 175.800 0.025 0.000 1.122 683 F CA -1.117 56.935 58.000 0.086 0.000 1.139 683 F CB 1.074 40.139 39.000 0.108 0.000 1.220 683 F HN 0.347 nan 8.300 nan 0.000 0.499 684 V N 1.932 121.920 119.914 0.123 0.000 2.872 684 V HA 0.265 4.421 4.120 0.060 0.000 0.307 684 V C -2.072 174.080 176.094 0.097 0.000 1.072 684 V CA -1.819 60.526 62.300 0.074 0.000 1.148 684 V CB -0.269 31.572 31.823 0.030 0.000 0.954 684 V HN 0.473 nan 8.190 nan 0.000 0.490 685 P HA 0.432 nan 4.420 nan 0.000 0.265 685 P C -0.868 176.461 177.300 0.048 0.000 1.187 685 P CA 0.002 63.136 63.100 0.057 0.000 0.766 685 P CB 0.414 32.139 31.700 0.041 0.000 0.820 686 L N 2.198 123.448 121.223 0.044 0.000 2.562 686 L HA 0.347 4.723 4.340 0.060 0.000 0.266 686 L C -0.990 175.892 176.870 0.019 0.000 0.949 686 L CA -0.115 54.743 54.840 0.030 0.000 0.879 686 L CB 1.795 43.877 42.059 0.039 0.000 1.278 686 L HN 0.316 nan 8.230 nan 0.000 0.404 687 E N 3.220 123.424 120.200 0.007 0.000 2.210 687 E HA 0.397 4.783 4.350 0.060 0.000 0.266 687 E C 0.326 176.894 176.600 -0.053 0.000 0.883 687 E CA -0.704 55.698 56.400 0.003 0.000 0.761 687 E CB 2.461 32.178 29.700 0.029 0.000 1.156 687 E HN 0.484 nan 8.360 nan 0.000 0.412 688 V N 2.542 122.406 119.914 -0.083 0.000 2.307 688 V HA -0.162 3.995 4.120 0.060 0.000 0.245 688 V C 0.127 175.914 176.094 -0.512 0.000 1.045 688 V CA 1.403 63.532 62.300 -0.285 0.000 1.024 688 V CB -0.389 31.293 31.823 -0.235 0.000 0.651 688 V HN 0.554 nan 8.190 nan 0.000 0.449 689 Y N -0.350 119.961 120.300 0.018 0.000 2.406 689 Y HA 0.503 5.090 4.550 0.062 0.000 0.340 689 Y C 0.551 176.464 175.900 0.022 0.000 0.975 689 Y CA -1.010 57.099 58.100 0.015 0.000 1.056 689 Y CB 1.430 39.893 38.460 0.006 0.000 1.210 689 Y HN 0.038 nan 8.280 nan 0.000 0.448 690 T N -1.296 113.359 114.554 0.168 0.000 2.828 690 T HA 0.268 4.654 4.350 0.060 0.000 0.290 690 T C 1.105 175.881 174.700 0.126 0.000 1.019 690 T CA -0.755 61.421 62.100 0.126 0.000 1.031 690 T CB 0.976 69.915 68.868 0.120 0.000 1.001 690 T HN 0.767 nan 8.240 nan 0.000 0.531 691 R N -0.047 120.518 120.500 0.109 0.000 2.117 691 R HA -0.186 4.191 4.340 0.060 0.000 0.243 691 R C 2.246 178.616 176.300 0.116 0.000 1.143 691 R CA 1.896 58.053 56.100 0.095 0.000 0.968 691 R CB -0.897 29.452 30.300 0.081 0.000 0.863 691 R HN 0.826 nan 8.270 nan 0.000 0.444 692 H N 1.359 120.453 119.070 0.040 0.000 2.333 692 H HA -0.008 4.583 4.556 0.059 0.000 0.302 692 H C 1.676 177.027 175.328 0.038 0.000 1.075 692 H CA 1.555 57.623 56.048 0.034 0.000 1.348 692 H CB 0.003 29.783 29.762 0.031 0.000 1.393 692 H HN 0.216 nan 8.280 nan 0.000 0.509 693 E N 0.010 120.168 120.200 -0.071 0.000 2.147 693 E HA -0.196 4.190 4.350 0.060 0.000 0.199 693 E C 2.302 178.826 176.600 -0.127 0.000 1.005 693 E CA 1.496 57.832 56.400 -0.106 0.000 0.810 693 E CB -0.084 29.675 29.700 0.098 0.000 0.736 693 E HN 0.562 nan 8.360 nan 0.000 0.460 694 I N 0.935 121.462 120.570 -0.072 0.000 2.193 694 I HA -0.253 3.953 4.170 0.060 0.000 0.240 694 I C 2.943 179.008 176.117 -0.085 0.000 1.084 694 I CA 1.520 62.769 61.300 -0.086 0.000 1.365 694 I CB -0.538 37.437 38.000 -0.042 0.000 1.064 694 I HN 0.078 nan 8.210 nan 0.000 0.410 695 K N 0.483 120.847 120.400 -0.059 0.000 2.074 695 K HA -0.318 4.039 4.320 0.060 0.000 0.209 695 K C 1.615 178.165 176.600 -0.084 0.000 1.048 695 K CA 2.477 58.745 56.287 -0.031 0.000 0.926 695 K CB -1.391 31.142 32.500 0.056 0.000 0.713 695 K HN 0.545 nan 8.250 nan 0.000 0.444 696 D N -0.430 119.838 120.400 -0.221 0.000 2.317 696 D HA -0.101 4.575 4.640 0.060 0.000 0.211 696 D C 2.076 178.294 176.300 -0.137 0.000 0.966 696 D CA 1.400 55.268 54.000 -0.221 0.000 0.876 696 D CB 0.132 40.664 40.800 -0.446 0.000 0.927 696 D HN 0.497 nan 8.370 nan 0.000 0.519 697 S N -0.602 115.019 115.700 -0.132 0.000 2.400 697 S HA -0.039 4.467 4.470 0.060 0.000 0.232 697 S C 1.477 176.031 174.600 -0.078 0.000 1.025 697 S CA 0.590 58.725 58.200 -0.108 0.000 0.993 697 S CB -0.961 62.159 63.200 -0.134 0.000 0.808 697 S HN 0.233 nan 8.310 nan 0.000 0.478 698 G N 1.363 110.125 108.800 -0.064 0.000 2.432 698 G HA2 0.408 4.404 3.960 0.060 0.000 0.239 698 G HA3 0.408 4.404 3.960 0.060 0.000 0.239 698 G C 0.495 175.376 174.900 -0.031 0.000 1.291 698 G CA -0.223 44.852 45.100 -0.042 0.000 0.863 698 G HN 0.298 nan 8.290 nan 0.000 0.560 699 L N 2.570 123.778 121.223 -0.026 0.000 1.961 699 L HA 0.251 4.628 4.340 0.060 0.000 0.209 699 L C 1.255 178.122 176.870 -0.004 0.000 1.075 699 L CA 1.349 56.178 54.840 -0.018 0.000 0.749 699 L CB -0.687 41.360 42.059 -0.020 0.000 0.890 699 L HN 0.444 nan 8.230 nan 0.000 0.433 700 L N 0.381 121.606 121.223 0.003 0.000 2.309 700 L HA 0.264 4.640 4.340 0.060 0.000 0.282 700 L C -0.878 176.016 176.870 0.040 0.000 1.036 700 L CA -0.409 54.444 54.840 0.021 0.000 0.806 700 L CB 1.381 43.455 42.059 0.026 0.000 1.220 700 L HN 0.180 nan 8.230 nan 0.000 0.429 701 D N 0.641 121.072 120.400 0.051 0.000 2.441 701 D HA 0.092 4.768 4.640 0.060 0.000 0.231 701 D C 0.662 177.025 176.300 0.105 0.000 1.073 701 D CA -0.417 53.626 54.000 0.071 0.000 0.850 701 D CB 0.755 41.585 40.800 0.050 0.000 1.062 701 D HN 0.374 nan 8.370 nan 0.000 0.524 702 Y N 2.871 123.172 120.300 0.001 0.000 2.096 702 Y HA -0.336 4.208 4.550 -0.011 0.000 0.278 702 Y C 1.894 177.799 175.900 0.009 0.000 1.192 702 Y CA 2.140 60.242 58.100 0.004 0.000 1.143 702 Y CB -0.651 37.813 38.460 0.005 0.000 0.963 702 Y HN 0.413 nan 8.280 nan 0.000 0.505 703 T N 0.302 114.842 114.554 -0.024 0.000 2.643 703 T HA -0.206 4.180 4.350 0.060 0.000 0.264 703 T C 1.541 176.183 174.700 -0.097 0.000 1.045 703 T CA 1.857 63.893 62.100 -0.106 0.000 1.155 703 T CB -0.314 68.548 68.868 -0.010 0.000 0.863 703 T HN 0.461 nan 8.240 nan 0.000 0.420 704 E N 0.459 120.640 120.200 -0.032 0.000 2.515 704 E HA -0.017 4.369 4.350 0.060 0.000 0.201 704 E C 1.805 178.389 176.600 -0.027 0.000 1.071 704 E CA 0.268 56.657 56.400 -0.018 0.000 0.880 704 E CB 0.024 29.731 29.700 0.012 0.000 0.828 704 E HN 0.302 nan 8.360 nan 0.000 0.540 705 V N 0.565 120.446 119.914 -0.055 0.000 2.922 705 V HA -0.107 4.050 4.120 0.060 0.000 0.242 705 V C 2.042 178.078 176.094 -0.096 0.000 1.094 705 V CA 0.621 62.891 62.300 -0.050 0.000 1.106 705 V CB 0.069 31.881 31.823 -0.018 0.000 0.799 705 V HN 0.117 nan 8.190 nan 0.000 0.474 706 Q N 0.357 120.034 119.800 -0.206 0.000 2.226 706 Q HA -0.183 4.194 4.340 0.060 0.000 0.204 706 Q C 2.230 178.159 176.000 -0.118 0.000 0.975 706 Q CA 1.450 57.115 55.803 -0.230 0.000 0.866 706 Q CB -0.363 28.119 28.738 -0.427 0.000 0.915 706 Q HN 0.580 nan 8.270 nan 0.000 0.440 707 R N 0.703 121.150 120.500 -0.088 0.000 2.062 707 R HA -0.069 4.307 4.340 0.060 0.000 0.231 707 R C 2.294 178.592 176.300 -0.002 0.000 1.136 707 R CA 1.188 57.264 56.100 -0.039 0.000 0.948 707 R CB -0.108 30.175 30.300 -0.028 0.000 0.845 707 R HN 0.060 nan 8.270 nan 0.000 0.430 708 R N 0.144 120.648 120.500 0.007 0.000 2.127 708 R HA -0.118 4.259 4.340 0.060 0.000 0.238 708 R C 1.537 177.882 176.300 0.075 0.000 1.134 708 R CA 1.793 57.923 56.100 0.049 0.000 0.975 708 R CB -0.107 30.220 30.300 0.046 0.000 0.865 708 R HN 0.322 nan 8.270 nan 0.000 0.447 709 N N 0.568 119.285 118.700 0.028 0.000 2.171 709 N HA -0.123 4.653 4.740 0.060 0.000 0.184 709 N C 1.450 176.992 175.510 0.053 0.000 1.021 709 N CA 1.162 54.222 53.050 0.018 0.000 0.854 709 N CB -0.150 38.317 38.487 -0.033 0.000 0.994 709 N HN 0.386 nan 8.380 nan 0.000 0.426 710 Q N 0.127 119.947 119.800 0.033 0.000 2.435 710 Q HA 0.136 4.512 4.340 0.060 0.000 0.207 710 Q C 1.649 177.694 176.000 0.075 0.000 0.956 710 Q CA 0.261 56.090 55.803 0.043 0.000 0.917 710 Q CB 0.167 28.910 28.738 0.009 0.000 0.997 710 Q HN 0.348 nan 8.270 nan 0.000 0.497 711 L N -0.624 120.656 121.223 0.094 0.000 2.395 711 L HA -0.101 4.276 4.340 0.060 0.000 0.218 711 L C 2.027 178.998 176.870 0.169 0.000 1.130 711 L CA 0.364 55.264 54.840 0.100 0.000 0.826 711 L CB -0.277 41.833 42.059 0.083 0.000 0.941 711 L HN 0.264 nan 8.230 nan 0.000 0.451 712 H N 0.986 120.128 119.070 0.119 0.000 2.261 712 H HA -0.279 4.321 4.556 0.073 0.000 0.290 712 H C 1.810 177.267 175.328 0.216 0.000 1.081 712 H CA 2.558 58.720 56.048 0.190 0.000 1.196 712 H CB 0.007 29.813 29.762 0.072 0.000 1.350 712 H HN 0.230 nan 8.280 nan 0.000 0.498 713 D N -0.210 120.315 120.400 0.209 0.000 2.133 713 D HA -0.160 4.516 4.640 0.060 0.000 0.195 713 D C 2.545 178.879 176.300 0.057 0.000 0.997 713 D CA 1.312 55.381 54.000 0.116 0.000 0.840 713 D CB -0.440 40.419 40.800 0.099 0.000 0.947 713 D HN 0.370 nan 8.370 nan 0.000 0.452 714 L N 0.103 121.351 121.223 0.043 0.000 1.989 714 L HA -0.172 4.204 4.340 0.060 0.000 0.211 714 L C 2.598 179.427 176.870 -0.069 0.000 1.071 714 L CA 1.418 56.254 54.840 -0.007 0.000 0.749 714 L CB -0.298 41.757 42.059 -0.007 0.000 0.890 714 L HN -0.020 nan 8.230 nan 0.000 0.431 715 R N -0.826 119.607 120.500 -0.112 0.000 2.066 715 R HA -0.096 4.281 4.340 0.060 0.000 0.232 715 R C 1.837 177.822 176.300 -0.525 0.000 1.131 715 R CA 1.440 57.312 56.100 -0.380 0.000 0.955 715 R CB -0.190 29.763 30.300 -0.580 0.000 0.851 715 R HN 0.242 nan 8.270 nan 0.000 0.432 716 F N -0.844 119.007 119.950 -0.165 0.000 2.678 716 F HA 0.423 4.986 4.527 0.062 0.000 0.305 716 F C 0.582 176.312 175.800 -0.117 0.000 1.090 716 F CA -0.362 57.535 58.000 -0.172 0.000 1.272 716 F CB 0.787 39.605 39.000 -0.303 0.000 1.060 716 F HN -0.035 nan 8.300 nan 0.000 0.576 717 A N -0.960 121.886 122.820 0.044 0.000 2.583 717 A HA 0.558 4.914 4.320 0.060 0.000 0.289 717 A C -1.760 175.830 177.584 0.011 0.000 1.151 717 A CA -0.611 51.446 52.037 0.034 0.000 0.695 717 A CB 1.192 20.224 19.000 0.053 0.000 1.290 717 A HN -0.078 nan 8.150 nan 0.000 0.419 718 D N -0.149 120.258 120.400 0.013 0.000 2.278 718 D HA 0.612 5.288 4.640 0.060 0.000 0.245 718 D C 0.247 176.554 176.300 0.011 0.000 1.052 718 D CA -0.265 53.738 54.000 0.005 0.000 0.834 718 D CB 1.342 42.142 40.800 0.001 0.000 1.194 718 D HN 0.367 nan 8.370 nan 0.000 0.481 719 I N 1.532 122.107 120.570 0.008 0.000 3.790 719 I HA -0.004 4.202 4.170 0.060 0.000 0.305 719 I C 1.250 177.371 176.117 0.006 0.000 1.253 719 I CA -0.196 61.111 61.300 0.011 0.000 1.355 719 I CB 0.355 38.363 38.000 0.013 0.000 1.137 719 I HN 0.229 nan 8.210 nan 0.000 0.435 720 D N 1.010 121.411 120.400 0.002 0.000 2.123 720 D HA -0.044 4.632 4.640 0.060 0.000 0.200 720 D C 0.932 177.232 176.300 0.000 0.000 0.976 720 D CA 0.921 54.921 54.000 -0.000 0.000 0.831 720 D CB -0.471 40.327 40.800 -0.003 0.000 0.974 720 D HN 0.148 nan 8.370 nan 0.000 0.469 721 T N 1.388 115.942 114.554 -0.000 0.000 2.933 721 T HA 0.221 4.608 4.350 0.060 0.000 0.306 721 T C 0.235 174.935 174.700 0.001 0.000 1.045 721 T CA 0.101 62.200 62.100 -0.000 0.000 1.143 721 T CB 1.151 70.019 68.868 -0.000 0.000 1.003 721 T HN -0.220 nan 8.240 nan 0.000 0.540 722 V N 4.628 124.542 119.914 0.000 0.000 2.760 722 V HA 0.563 4.719 4.120 0.060 0.000 0.309 722 V C -0.046 176.048 176.094 -0.000 0.000 1.077 722 V CA -0.834 61.467 62.300 0.001 0.000 0.910 722 V CB 1.906 33.729 31.823 0.000 0.000 1.008 722 V HN 0.762 nan 8.190 nan 0.000 0.424 723 I N 0.000 120.570 120.570 -0.000 0.000 2.984 723 I HA 0.000 4.206 4.170 0.060 0.000 0.288 723 I CA 0.000 61.299 61.300 -0.001 0.000 1.566 723 I CB 0.000 37.999 38.000 -0.002 0.000 1.214 723 I HN 0.000 nan 8.210 nan 0.000 0.494