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 3o7y_1_A DATA FIRST_RESID 117 DATA SEQUENCE THLRPYETLG AHADTMDGVT GTRFSVWAPN ARRVSVVGQF NYWDGRRHPM DATA SEQUENCE RLRKESGIWE LFIPGAHNGQ LYKYEMIDAN GNLRLKSDPY AFEAQMRPET DATA SEQUENCE ASLICGLPEK VVQTEERKKA NQFDAPISIY EVHLGSWRRH TDNNFWLSYR DATA SEQUENCE ELADQLVPYA KWMGFTHLEL LPINEHPFDG SWGYQPTGLY APTRRFGTRD DATA SEQUENCE DFRYFIDAAH AAGLNVILDW VPGHFPTDDF ALAEFDGTNL YEHSXXXXXX DATA SEQUENCE XXXXXTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRXXX DATA SEQUENCE XXXXXXXXXX XGGRENLEAI EFLRNTNRIL GEQVSGAVTM AEESTDFPGV DATA SEQUENCE SRPQDMGGLG FWYKWNLGWM HDTLDYMKLD PVYRQYHHDK LTFGILYNYT DATA SEQUENCE ENFVLPLSHD EVVHGKKSIL DRMPGDAWQK FANLRAYYGW MWAFPGKKLL DATA SEQUENCE FMGNEFAQGR EWNHDASLDW HLLEGGDNWH HGVQRLVRDL NLTYRHHKAM DATA SEQUENCE HELDFDPYGF EWLVVDDKER SVLIFVRRDK EGNEIIVASN FTPVPRHDYR DATA SEQUENCE FGINQPGKWR EILNTDSMHY HGSNAGNGGT VHSDEIASHG RQHSLSLTLP DATA SEQUENCE PLATIWLVRE AE 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 117 T HA 0.000 nan 4.350 nan 0.000 0.228 117 T C 0.000 174.507 174.700 -0.322 0.000 1.109 117 T CA 0.000 61.959 62.100 -0.234 0.000 1.349 117 T CB 0.000 68.766 68.868 -0.170 0.000 0.612 118 H N 1.484 120.537 119.070 -0.029 0.000 2.519 118 H HA 0.341 4.900 4.556 0.006 0.000 0.289 118 H C 1.404 176.731 175.328 -0.001 0.000 1.040 118 H CA -0.255 55.777 56.048 -0.026 0.000 1.165 118 H CB 0.803 30.554 29.762 -0.018 0.000 1.462 118 H HN 0.449 nan 8.280 nan 0.000 0.555 119 L N -0.017 121.248 121.223 0.070 0.000 2.307 119 L HA 0.064 4.408 4.340 0.006 0.000 0.211 119 L C 0.768 177.675 176.870 0.062 0.000 1.099 119 L CA 0.750 55.642 54.840 0.087 0.000 0.816 119 L CB 0.168 42.270 42.059 0.071 0.000 0.952 119 L HN -0.047 nan 8.230 nan 0.000 0.455 120 R N 0.369 120.811 120.500 -0.097 0.000 3.301 120 R HA 0.158 4.502 4.340 0.006 0.000 0.286 120 R C -1.714 174.327 176.300 -0.432 0.000 1.386 120 R CA -1.260 54.591 56.100 -0.414 0.000 1.607 120 R CB 0.521 30.477 30.300 -0.574 0.000 1.305 120 R HN 0.006 nan 8.270 nan 0.000 0.637 121 P HA -0.175 nan 4.420 nan 0.000 0.226 121 P C 0.501 177.729 177.300 -0.120 0.000 1.153 121 P CA 0.969 64.032 63.100 -0.062 0.000 0.777 121 P CB 0.104 31.898 31.700 0.155 0.000 0.794 122 Y N -0.062 120.320 120.300 0.135 0.000 2.509 122 Y HA 0.157 4.711 4.550 0.005 0.000 0.293 122 Y C 1.809 177.840 175.900 0.217 0.000 1.133 122 Y CA 0.271 58.483 58.100 0.186 0.000 1.283 122 Y CB -1.592 37.001 38.460 0.222 0.000 1.001 122 Y HN -0.071 nan 8.280 nan 0.000 0.555 123 E N 0.444 120.492 120.200 -0.254 0.000 2.427 123 E HA -0.049 4.305 4.350 0.006 0.000 0.196 123 E C 1.280 177.662 176.600 -0.362 0.000 1.028 123 E CA 1.397 57.642 56.400 -0.259 0.000 0.864 123 E CB 0.118 29.609 29.700 -0.349 0.000 0.813 123 E HN 0.767 nan 8.360 nan 0.000 0.514 124 T N -2.717 111.729 114.554 -0.181 0.000 3.105 124 T HA 0.156 4.510 4.350 0.006 0.000 0.257 124 T C 0.339 175.084 174.700 0.076 0.000 0.949 124 T CA -0.470 61.548 62.100 -0.136 0.000 0.959 124 T CB 0.184 68.975 68.868 -0.129 0.000 1.205 124 T HN -0.170 nan 8.240 nan 0.000 0.496 125 L N 2.694 123.893 121.223 -0.039 0.000 2.349 125 L HA 0.687 5.031 4.340 0.006 0.000 0.275 125 L C 1.181 178.015 176.870 -0.060 0.000 1.115 125 L CA 1.518 56.266 54.840 -0.154 0.000 0.820 125 L CB 0.353 42.067 42.059 -0.574 0.000 1.135 125 L HN 0.809 nan 8.230 nan 0.000 0.445 126 G N 2.150 111.002 108.800 0.086 0.000 2.384 126 G HA2 0.243 4.206 3.960 0.006 0.000 0.204 126 G HA3 0.243 4.206 3.960 0.006 0.000 0.204 126 G C -1.095 173.820 174.900 0.025 0.000 1.237 126 G CA -0.402 44.768 45.100 0.117 0.000 1.060 126 G HN 0.905 nan 8.290 nan 0.000 0.514 127 A N 0.464 123.196 122.820 -0.146 0.000 2.249 127 A HA 0.771 5.094 4.320 0.006 0.000 0.314 127 A C -0.271 177.039 177.584 -0.456 0.000 1.290 127 A CA -0.255 51.517 52.037 -0.441 0.000 0.893 127 A CB 0.380 19.064 19.000 -0.526 0.000 1.165 127 A HN 0.917 nan 8.150 nan 0.000 0.530 128 H N 1.086 120.052 119.070 -0.173 0.000 2.717 128 H HA 0.569 5.129 4.556 0.006 0.000 0.366 128 H C 0.145 175.419 175.328 -0.090 0.000 1.132 128 H CA -0.102 55.912 56.048 -0.056 0.000 1.180 128 H CB 2.124 31.881 29.762 -0.008 0.000 1.678 128 H HN 0.847 nan 8.280 nan 0.000 0.537 129 A N 1.842 124.721 122.820 0.098 0.000 2.386 129 A HA 0.399 4.723 4.320 0.006 0.000 0.248 129 A C -0.214 177.422 177.584 0.087 0.000 1.082 129 A CA 0.360 52.441 52.037 0.072 0.000 0.789 129 A CB 0.206 19.248 19.000 0.070 0.000 1.025 129 A HN 0.738 nan 8.150 nan 0.000 0.490 130 D N -1.109 119.360 120.400 0.116 0.000 2.785 130 D HA 0.322 4.965 4.640 0.006 0.000 0.239 130 D C -1.189 175.175 176.300 0.107 0.000 1.142 130 D CA 0.076 54.116 54.000 0.068 0.000 0.734 130 D CB 1.218 42.035 40.800 0.028 0.000 1.820 130 D HN 0.577 nan 8.370 nan 0.000 0.461 131 T N 2.855 117.396 114.554 -0.021 0.000 2.779 131 T HA 0.553 4.907 4.350 0.006 0.000 0.280 131 T C -0.560 174.001 174.700 -0.233 0.000 0.987 131 T CA -0.603 61.483 62.100 -0.023 0.000 0.966 131 T CB 0.493 69.379 68.868 0.030 0.000 0.933 131 T HN 0.268 nan 8.240 nan 0.000 0.442 132 M N 4.183 123.560 119.600 -0.370 0.000 2.063 132 M HA 0.285 4.769 4.480 0.006 0.000 0.348 132 M C -0.200 176.035 176.300 -0.109 0.000 1.180 132 M CA -0.331 54.734 55.300 -0.392 0.000 1.059 132 M CB 0.012 32.182 32.600 -0.716 0.000 1.544 132 M HN 0.789 nan 8.290 nan 0.000 0.447 133 D N 3.852 124.201 120.400 -0.086 0.000 2.802 133 D HA -0.141 4.502 4.640 0.006 0.000 0.229 133 D C 1.188 177.489 176.300 0.003 0.000 1.203 133 D CA 1.772 55.754 54.000 -0.031 0.000 0.712 133 D CB -1.103 39.687 40.800 -0.017 0.000 0.973 133 D HN 1.088 nan 8.370 nan 0.000 0.407 134 G N -1.559 107.243 108.800 0.003 0.000 2.640 134 G HA2 -0.328 3.635 3.960 0.006 0.000 0.226 134 G HA3 -0.328 3.635 3.960 0.006 0.000 0.226 134 G C 0.432 175.363 174.900 0.053 0.000 1.222 134 G CA 0.190 45.305 45.100 0.024 0.000 0.729 134 G HN 1.233 nan 8.290 nan 0.000 0.516 135 V N 4.158 124.123 119.914 0.084 0.000 2.470 135 V HA 0.590 4.714 4.120 0.006 0.000 0.276 135 V C 1.001 177.228 176.094 0.221 0.000 1.040 135 V CA 0.891 63.274 62.300 0.139 0.000 1.008 135 V CB 0.653 32.575 31.823 0.165 0.000 0.990 135 V HN 1.268 nan 8.190 nan 0.000 0.477 136 T N 4.307 118.969 114.554 0.180 0.000 2.899 136 T HA 0.871 5.224 4.350 0.006 0.000 0.284 136 T C 0.300 175.140 174.700 0.234 0.000 1.004 136 T CA 0.145 62.369 62.100 0.207 0.000 1.043 136 T CB 1.562 70.500 68.868 0.117 0.000 1.013 136 T HN 1.493 nan 8.240 nan 0.000 0.518 137 G N 0.715 109.673 108.800 0.264 0.000 2.435 137 G HA2 0.586 4.550 3.960 0.006 0.000 0.296 137 G HA3 0.586 4.550 3.960 0.006 0.000 0.296 137 G C -0.802 174.151 174.900 0.089 0.000 1.240 137 G CA -0.280 44.846 45.100 0.042 0.000 0.872 137 G HN 1.172 nan 8.290 nan 0.000 0.480 138 T N -1.891 112.589 114.554 -0.124 0.000 2.916 138 T HA 0.781 5.134 4.350 0.006 0.000 0.292 138 T C -0.380 174.210 174.700 -0.183 0.000 1.064 138 T CA -0.811 61.183 62.100 -0.176 0.000 1.011 138 T CB 2.229 70.824 68.868 -0.456 0.000 1.152 138 T HN 1.075 nan 8.240 nan 0.000 0.510 139 R N 0.236 120.643 120.500 -0.155 0.000 2.599 139 R HA 0.708 5.051 4.340 0.006 0.000 0.295 139 R C -1.832 174.353 176.300 -0.192 0.000 0.963 139 R CA -0.929 55.178 56.100 0.012 0.000 0.883 139 R CB 1.063 31.520 30.300 0.262 0.000 1.171 139 R HN 0.501 nan 8.270 nan 0.000 0.450 140 F N 1.331 121.346 119.950 0.108 0.000 2.444 140 F HA 0.491 5.021 4.527 0.005 0.000 0.342 140 F C -0.207 175.714 175.800 0.203 0.000 1.121 140 F CA -0.472 57.619 58.000 0.151 0.000 0.997 140 F CB 2.421 41.527 39.000 0.176 0.000 1.130 140 F HN 0.600 nan 8.300 nan 0.000 0.454 141 S N 2.046 117.961 115.700 0.359 0.000 2.542 141 S HA 0.948 5.422 4.470 0.006 0.000 0.293 141 S C -0.991 173.755 174.600 0.243 0.000 1.089 141 S CA -0.884 57.474 58.200 0.265 0.000 0.961 141 S CB 2.276 65.584 63.200 0.181 0.000 1.062 141 S HN 0.364 nan 8.310 nan 0.000 0.483 142 V N 0.268 120.309 119.914 0.211 0.000 3.120 142 V HA 0.561 4.684 4.120 0.006 0.000 0.303 142 V C -1.928 174.398 176.094 0.388 0.000 1.238 142 V CA -0.944 61.495 62.300 0.231 0.000 1.008 142 V CB 1.942 33.731 31.823 -0.057 0.000 1.064 142 V HN 1.018 nan 8.190 nan 0.000 0.434 143 W N 3.338 124.772 121.300 0.222 0.000 2.318 143 W HA 0.795 5.458 4.660 0.006 0.000 0.315 143 W C -0.216 176.479 176.519 0.294 0.000 1.033 143 W CA -0.614 56.849 57.345 0.195 0.000 1.275 143 W CB 1.173 30.694 29.460 0.100 0.000 1.250 143 W HN 0.906 nan 8.180 nan 0.000 0.421 144 A N 9.127 131.904 122.820 -0.072 0.000 2.872 144 A HA 0.363 4.687 4.320 0.006 0.000 0.305 144 A C -1.916 175.617 177.584 -0.086 0.000 1.171 144 A CA -1.000 50.971 52.037 -0.109 0.000 0.782 144 A CB 0.813 19.934 19.000 0.202 0.000 1.329 144 A HN 0.408 nan 8.150 nan 0.000 0.432 145 P HA -0.243 nan 4.420 nan 0.000 0.214 145 P C 1.163 178.439 177.300 -0.040 0.000 1.172 145 P CA 1.724 64.722 63.100 -0.170 0.000 0.925 145 P CB 0.118 31.703 31.700 -0.192 0.000 0.793 146 N N -0.375 118.303 118.700 -0.037 0.000 2.051 146 N HA -0.126 4.617 4.740 0.006 0.000 0.192 146 N C 1.718 177.291 175.510 0.105 0.000 1.049 146 N CA 1.462 54.522 53.050 0.018 0.000 0.845 146 N CB -1.005 37.473 38.487 -0.015 0.000 1.031 146 N HN 0.106 nan 8.380 nan 0.000 0.425 147 A N 1.131 124.004 122.820 0.088 0.000 5.159 147 A HA -0.352 3.971 4.320 0.006 0.000 0.362 147 A C 0.996 178.616 177.584 0.060 0.000 1.583 147 A CA 3.278 55.362 52.037 0.077 0.000 0.689 147 A CB -1.213 17.940 19.000 0.256 0.000 1.532 147 A HN 0.642 nan 8.150 nan 0.000 0.417 148 R N -1.421 119.186 120.500 0.178 0.000 2.787 148 R HA -0.084 4.260 4.340 0.006 0.000 0.396 148 R C -0.238 176.073 176.300 0.018 0.000 0.993 148 R CA 1.931 58.101 56.100 0.116 0.000 0.780 148 R CB -1.619 28.697 30.300 0.026 0.000 1.795 148 R HN 2.535 nan 8.270 nan 0.000 0.442 149 R N -1.116 119.323 120.500 -0.101 0.000 1.006 149 R HA -0.033 4.310 4.340 0.006 0.000 0.432 149 R C -2.104 173.705 176.300 -0.819 0.000 1.343 149 R CA 0.299 56.100 56.100 -0.498 0.000 0.824 149 R CB -1.224 29.003 30.300 -0.123 0.000 2.802 149 R HN 0.031 nan 8.270 nan 0.000 0.525 150 V N 2.453 121.645 119.914 -1.203 0.000 2.925 150 V HA 0.840 4.963 4.120 0.006 0.000 0.311 150 V C 0.071 175.915 176.094 -0.416 0.000 1.104 150 V CA -0.151 61.686 62.300 -0.771 0.000 0.954 150 V CB 2.149 33.390 31.823 -0.969 0.000 1.022 150 V HN 1.063 nan 8.190 nan 0.000 0.427 151 S N 1.772 117.353 115.700 -0.198 0.000 2.671 151 S HA 0.855 5.329 4.470 0.006 0.000 0.299 151 S C -0.991 173.626 174.600 0.027 0.000 1.116 151 S CA -0.820 57.348 58.200 -0.053 0.000 0.912 151 S CB 2.021 65.206 63.200 -0.025 0.000 1.130 151 S HN 0.524 nan 8.310 nan 0.000 0.501 152 V N 1.742 121.674 119.914 0.030 0.000 2.394 152 V HA 0.588 4.711 4.120 0.006 0.000 0.282 152 V C -0.670 175.374 176.094 -0.083 0.000 1.031 152 V CA -0.545 61.721 62.300 -0.057 0.000 0.881 152 V CB 1.146 32.769 31.823 -0.333 0.000 0.982 152 V HN 0.812 nan 8.190 nan 0.000 0.451 153 V N 3.100 122.886 119.914 -0.214 0.000 2.443 153 V HA 0.991 5.114 4.120 0.006 0.000 0.293 153 V C 0.328 175.923 176.094 -0.831 0.000 1.021 153 V CA -0.192 61.871 62.300 -0.393 0.000 0.848 153 V CB 0.989 32.573 31.823 -0.399 0.000 0.998 153 V HN 0.986 nan 8.190 nan 0.000 0.424 154 G N 2.407 110.483 108.800 -1.207 0.000 2.788 154 G HA2 0.466 4.430 3.960 0.006 0.000 0.293 154 G HA3 0.466 4.430 3.960 0.006 0.000 0.293 154 G C -0.260 173.970 174.900 -1.116 0.000 1.392 154 G CA -0.514 43.601 45.100 -1.642 0.000 0.810 154 G HN 0.458 nan 8.290 nan 0.000 0.508 155 Q N -0.847 118.661 119.800 -0.487 0.000 2.364 155 Q HA -0.069 4.274 4.340 0.006 0.000 0.209 155 Q C 1.908 177.848 176.000 -0.099 0.000 0.977 155 Q CA 1.777 57.572 55.803 -0.012 0.000 0.885 155 Q CB -0.308 28.465 28.738 0.058 0.000 0.941 155 Q HN 0.649 nan 8.270 nan 0.000 0.464 156 F N -1.566 118.445 119.950 0.102 0.000 2.456 156 F HA 0.098 4.628 4.527 0.005 0.000 0.298 156 F C 1.536 177.432 175.800 0.159 0.000 1.104 156 F CA 0.197 58.251 58.000 0.090 0.000 1.435 156 F CB -0.150 38.847 39.000 -0.004 0.000 1.078 156 F HN -0.058 nan 8.300 nan 0.000 0.546 157 N N -0.680 118.092 118.700 0.120 0.000 2.392 157 N HA -0.028 4.715 4.740 0.006 0.000 0.177 157 N C -0.090 175.692 175.510 0.454 0.000 1.066 157 N CA 0.369 53.594 53.050 0.292 0.000 0.895 157 N CB -0.305 38.237 38.487 0.091 0.000 0.988 157 N HN 0.449 nan 8.380 nan 0.000 0.457 158 Y N -2.305 118.078 120.300 0.139 0.000 4.668 158 Y HA -0.294 4.258 4.550 0.003 0.000 0.234 158 Y C -0.659 175.381 175.900 0.233 0.000 1.056 158 Y CA 0.304 58.483 58.100 0.133 0.000 2.025 158 Y CB -2.107 36.407 38.460 0.090 0.000 1.613 158 Y HN 0.074 nan 8.280 nan 0.000 0.653 159 W N 0.324 121.613 121.300 -0.018 0.000 6.190 159 W HA -0.166 4.497 4.660 0.006 0.000 0.423 159 W C -0.055 176.467 176.519 0.005 0.000 1.680 159 W CA 0.859 58.165 57.345 -0.065 0.000 1.036 159 W CB -1.203 28.203 29.460 -0.091 0.000 2.908 159 W HN 0.314 nan 8.180 nan 0.000 1.429 160 D N -0.178 120.332 120.400 0.185 0.000 2.440 160 D HA 0.453 5.096 4.640 0.006 0.000 0.252 160 D C 1.241 177.598 176.300 0.096 0.000 1.180 160 D CA 0.318 54.401 54.000 0.137 0.000 0.894 160 D CB 0.739 41.623 40.800 0.140 0.000 1.111 160 D HN 0.139 nan 8.370 nan 0.000 0.544 161 G N 2.550 111.382 108.800 0.052 0.000 2.848 161 G HA2 -0.125 3.838 3.960 0.006 0.000 0.208 161 G HA3 -0.125 3.838 3.960 0.006 0.000 0.208 161 G C 1.305 176.221 174.900 0.026 0.000 1.152 161 G CA 0.055 45.171 45.100 0.027 0.000 0.789 161 G HN 0.388 nan 8.290 nan 0.000 0.531 162 R N -0.745 119.774 120.500 0.031 0.000 2.240 162 R HA 0.188 4.532 4.340 0.006 0.000 0.203 162 R C 2.390 178.695 176.300 0.008 0.000 1.011 162 R CA 0.248 56.356 56.100 0.013 0.000 1.007 162 R CB 0.041 30.345 30.300 0.007 0.000 0.911 162 R HN 0.228 nan 8.270 nan 0.000 0.468 163 R N -0.179 120.345 120.500 0.039 0.000 2.075 163 R HA 0.031 4.375 4.340 0.006 0.000 0.220 163 R C 0.242 176.453 176.300 -0.149 0.000 1.118 163 R CA 0.864 56.952 56.100 -0.021 0.000 0.986 163 R CB 0.457 30.809 30.300 0.087 0.000 0.884 163 R HN 0.209 nan 8.270 nan 0.000 0.439 164 H N 1.346 120.431 119.070 0.025 0.000 2.539 164 H HA 0.301 4.860 4.556 0.005 0.000 0.247 164 H C -2.360 172.973 175.328 0.008 0.000 1.363 164 H CA -2.077 53.980 56.048 0.015 0.000 1.371 164 H CB 1.445 31.210 29.762 0.005 0.000 1.438 164 H HN 0.260 nan 8.280 nan 0.000 0.523 165 P HA 0.219 nan 4.420 nan 0.000 0.279 165 P C -0.140 177.231 177.300 0.118 0.000 1.252 165 P CA -0.575 62.562 63.100 0.063 0.000 0.811 165 P CB 1.616 33.343 31.700 0.045 0.000 1.035 166 M N 0.819 120.507 119.600 0.146 0.000 2.578 166 M HA 0.494 4.978 4.480 0.006 0.000 0.321 166 M C 0.528 177.102 176.300 0.457 0.000 1.182 166 M CA -0.737 54.728 55.300 0.275 0.000 0.965 166 M CB 2.230 35.003 32.600 0.288 0.000 1.694 166 M HN 0.181 nan 8.290 nan 0.000 0.461 167 R N 1.814 122.521 120.500 0.346 0.000 2.254 167 R HA 0.530 4.873 4.340 0.006 0.000 0.318 167 R C -1.250 175.074 176.300 0.040 0.000 1.031 167 R CA -0.538 55.693 56.100 0.218 0.000 0.905 167 R CB 0.919 31.287 30.300 0.114 0.000 1.050 167 R HN 0.781 nan 8.270 nan 0.000 0.456 168 L N 3.744 124.751 121.223 -0.360 0.000 2.397 168 L HA 0.336 4.679 4.340 0.006 0.000 0.271 168 L C -0.298 176.311 176.870 -0.436 0.000 1.148 168 L CA -0.303 53.978 54.840 -0.931 0.000 0.825 168 L CB 0.622 41.789 42.059 -1.486 0.000 1.117 168 L HN 0.561 nan 8.230 nan 0.000 0.456 169 R N 3.397 123.674 120.500 -0.372 0.000 2.265 169 R HA 0.220 4.564 4.340 0.006 0.000 0.328 169 R C 0.701 176.892 176.300 -0.182 0.000 0.969 169 R CA -0.497 55.490 56.100 -0.188 0.000 0.832 169 R CB 0.967 31.211 30.300 -0.093 0.000 1.139 169 R HN 0.551 nan 8.270 nan 0.000 0.457 170 K N 2.658 122.973 120.400 -0.141 0.000 2.057 170 K HA -0.168 4.155 4.320 0.006 0.000 0.207 170 K C 0.937 177.503 176.600 -0.056 0.000 1.049 170 K CA 1.789 58.011 56.287 -0.109 0.000 0.931 170 K CB 0.239 32.692 32.500 -0.079 0.000 0.714 170 K HN 0.571 nan 8.250 nan 0.000 0.440 171 E N 0.728 120.909 120.200 -0.033 0.000 2.028 171 E HA -0.118 4.235 4.350 0.006 0.000 0.191 171 E C 2.019 178.637 176.600 0.031 0.000 0.988 171 E CA 1.784 58.183 56.400 -0.001 0.000 0.799 171 E CB -0.315 29.386 29.700 0.001 0.000 0.755 171 E HN 0.342 nan 8.360 nan 0.000 0.447 172 S N -1.047 114.675 115.700 0.038 0.000 2.503 172 S HA 0.245 4.718 4.470 0.006 0.000 0.217 172 S C 1.783 176.516 174.600 0.220 0.000 0.999 172 S CA 0.170 58.431 58.200 0.101 0.000 0.914 172 S CB 0.235 63.480 63.200 0.074 0.000 0.782 172 S HN 0.456 nan 8.310 nan 0.000 0.520 173 G N 1.192 110.047 108.800 0.090 0.000 2.143 173 G HA2 -0.229 3.734 3.960 0.006 0.000 0.248 173 G HA3 -0.229 3.734 3.960 0.006 0.000 0.248 173 G C -0.087 174.834 174.900 0.037 0.000 0.991 173 G CA 0.288 45.408 45.100 0.034 0.000 0.689 173 G HN 0.595 nan 8.290 nan 0.000 0.522 174 I N 0.080 120.678 120.570 0.047 0.000 2.321 174 I HA 0.431 4.605 4.170 0.006 0.000 0.291 174 I C 0.215 176.326 176.117 -0.011 0.000 0.998 174 I CA -1.032 60.344 61.300 0.126 0.000 1.227 174 I CB 0.683 38.785 38.000 0.170 0.000 1.368 174 I HN 0.093 nan 8.210 nan 0.000 0.466 175 W N 5.567 126.907 121.300 0.067 0.000 2.287 175 W HA 0.440 5.104 4.660 0.006 0.000 0.313 175 W C 0.112 176.675 176.519 0.073 0.000 1.267 175 W CA -0.191 57.180 57.345 0.043 0.000 1.201 175 W CB 0.549 30.005 29.460 -0.007 0.000 1.196 175 W HN 0.374 nan 8.180 nan 0.000 0.536 176 E N 2.193 122.567 120.200 0.290 0.000 2.317 176 E HA 0.722 5.075 4.350 0.006 0.000 0.270 176 E C -1.704 175.051 176.600 0.258 0.000 0.885 176 E CA -1.237 55.312 56.400 0.250 0.000 0.760 176 E CB 2.518 32.321 29.700 0.172 0.000 1.227 176 E HN 0.275 nan 8.360 nan 0.000 0.434 177 L N 2.239 123.636 121.223 0.290 0.000 2.591 177 L HA 0.501 4.844 4.340 0.006 0.000 0.257 177 L C -2.093 174.987 176.870 0.350 0.000 0.935 177 L CA -0.544 54.467 54.840 0.286 0.000 0.873 177 L CB 1.644 43.852 42.059 0.248 0.000 1.397 177 L HN 0.607 nan 8.230 nan 0.000 0.414 178 F N 5.766 125.813 119.950 0.162 0.000 2.375 178 F HA 0.698 5.229 4.527 0.006 0.000 0.361 178 F C -0.909 174.963 175.800 0.120 0.000 1.117 178 F CA -0.530 57.545 58.000 0.125 0.000 1.037 178 F CB 0.727 39.770 39.000 0.070 0.000 1.192 178 F HN 0.305 nan 8.300 nan 0.000 0.452 179 I N 9.004 129.211 120.570 -0.605 0.000 2.307 179 I HA 0.317 4.490 4.170 0.006 0.000 0.289 179 I C -2.223 173.301 176.117 -0.989 0.000 1.021 179 I CA -2.130 58.780 61.300 -0.651 0.000 1.224 179 I CB 1.211 38.866 38.000 -0.575 0.000 1.376 179 I HN 0.406 nan 8.210 nan 0.000 0.470 180 P HA 0.194 nan 4.420 nan 0.000 0.279 180 P C 0.713 177.901 177.300 -0.187 0.000 1.239 180 P CA 0.278 63.113 63.100 -0.441 0.000 0.789 180 P CB 1.552 33.192 31.700 -0.100 0.000 0.933 181 G N 1.578 110.337 108.800 -0.068 0.000 2.217 181 G HA2 -0.171 3.792 3.960 0.006 0.000 0.246 181 G HA3 -0.171 3.792 3.960 0.006 0.000 0.246 181 G C 0.282 175.233 174.900 0.085 0.000 0.990 181 G CA 0.076 45.192 45.100 0.026 0.000 0.627 181 G HN 0.869 nan 8.290 nan 0.000 0.522 182 A N 2.039 124.812 122.820 -0.078 0.000 2.279 182 A HA 0.685 5.008 4.320 0.006 0.000 0.306 182 A C 0.397 178.011 177.584 0.051 0.000 1.300 182 A CA 0.182 52.168 52.037 -0.086 0.000 0.925 182 A CB -0.004 18.659 19.000 -0.562 0.000 1.152 182 A HN 1.093 nan 8.150 nan 0.000 0.544 183 H N 1.640 120.751 119.070 0.069 0.000 2.710 183 H HA 0.426 4.986 4.556 0.005 0.000 0.361 183 H C -0.728 174.659 175.328 0.099 0.000 1.175 183 H CA -1.305 54.781 56.048 0.064 0.000 1.206 183 H CB 0.495 30.299 29.762 0.070 0.000 1.750 183 H HN 0.491 nan 8.280 nan 0.000 0.553 184 N N -0.313 118.463 118.700 0.128 0.000 2.353 184 N HA 0.060 4.804 4.740 0.006 0.000 0.248 184 N C 1.343 176.887 175.510 0.056 0.000 1.240 184 N CA 2.118 55.223 53.050 0.093 0.000 0.862 184 N CB 0.544 39.109 38.487 0.131 0.000 1.086 184 N HN 0.964 nan 8.380 nan 0.000 0.453 185 G N 1.104 109.936 108.800 0.053 0.000 2.232 185 G HA2 -0.236 3.728 3.960 0.006 0.000 0.226 185 G HA3 -0.236 3.728 3.960 0.006 0.000 0.226 185 G C -0.067 174.840 174.900 0.012 0.000 0.996 185 G CA -0.321 44.811 45.100 0.053 0.000 0.626 185 G HN 0.581 nan 8.290 nan 0.000 0.509 186 Q N 0.138 119.910 119.800 -0.048 0.000 2.235 186 Q HA 0.649 4.992 4.340 0.006 0.000 0.250 186 Q C -0.177 175.906 176.000 0.139 0.000 0.909 186 Q CA -0.706 55.105 55.803 0.014 0.000 0.910 186 Q CB 1.587 30.320 28.738 -0.009 0.000 1.223 186 Q HN 0.253 nan 8.270 nan 0.000 0.432 187 L N 3.255 124.552 121.223 0.123 0.000 2.397 187 L HA 0.260 4.603 4.340 0.006 0.000 0.271 187 L C -0.454 176.431 176.870 0.026 0.000 1.148 187 L CA 0.245 55.158 54.840 0.121 0.000 0.825 187 L CB -0.056 42.120 42.059 0.196 0.000 1.117 187 L HN 0.528 nan 8.230 nan 0.000 0.456 188 Y N 0.621 120.783 120.300 -0.230 0.000 2.689 188 Y HA 0.856 5.409 4.550 0.005 0.000 0.333 188 Y C -0.837 174.755 175.900 -0.512 0.000 1.190 188 Y CA -1.445 56.382 58.100 -0.455 0.000 1.063 188 Y CB 1.588 39.936 38.460 -0.186 0.000 1.294 188 Y HN 0.505 nan 8.280 nan 0.000 0.466 189 K N 0.021 120.035 120.400 -0.643 0.000 2.617 189 K HA 0.481 4.804 4.320 0.006 0.000 0.293 189 K C -2.368 173.911 176.600 -0.535 0.000 1.034 189 K CA -0.905 54.983 56.287 -0.665 0.000 0.884 189 K CB 2.174 34.334 32.500 -0.567 0.000 1.541 189 K HN 0.791 nan 8.250 nan 0.000 0.409 190 Y N 0.815 121.024 120.300 -0.152 0.000 2.364 190 Y HA 0.277 4.831 4.550 0.006 0.000 0.340 190 Y C -0.221 175.572 175.900 -0.178 0.000 0.975 190 Y CA -0.647 57.376 58.100 -0.128 0.000 1.089 190 Y CB 2.010 40.431 38.460 -0.064 0.000 1.192 190 Y HN 0.385 nan 8.280 nan 0.000 0.454 191 E N 5.958 126.147 120.200 -0.018 0.000 2.113 191 E HA 0.428 4.782 4.350 0.006 0.000 0.273 191 E C -1.218 175.293 176.600 -0.148 0.000 0.924 191 E CA -0.730 55.616 56.400 -0.091 0.000 0.764 191 E CB 0.823 30.471 29.700 -0.087 0.000 1.104 191 E HN 0.743 nan 8.360 nan 0.000 0.406 192 M N 2.305 121.794 119.600 -0.184 0.000 2.591 192 M HA 0.513 4.996 4.480 0.006 0.000 0.306 192 M C -1.328 174.854 176.300 -0.196 0.000 1.190 192 M CA -0.992 54.154 55.300 -0.255 0.000 0.889 192 M CB 1.630 34.028 32.600 -0.336 0.000 1.728 192 M HN 0.195 nan 8.290 nan 0.000 0.458 193 I N 3.351 123.806 120.570 -0.192 0.000 2.304 193 I HA 0.293 4.467 4.170 0.006 0.000 0.291 193 I C -0.186 175.854 176.117 -0.128 0.000 1.018 193 I CA 0.126 61.347 61.300 -0.133 0.000 1.260 193 I CB 0.909 38.850 38.000 -0.097 0.000 1.390 193 I HN 0.810 nan 8.210 nan 0.000 0.475 194 D N 5.425 125.758 120.400 -0.111 0.000 2.440 194 D HA 0.355 4.999 4.640 0.006 0.000 0.269 194 D C 1.239 177.506 176.300 -0.055 0.000 1.249 194 D CA -0.177 53.765 54.000 -0.097 0.000 1.055 194 D CB 0.369 41.109 40.800 -0.100 0.000 1.104 194 D HN 0.400 nan 8.370 nan 0.000 0.561 195 A N 0.153 122.948 122.820 -0.041 0.000 1.851 195 A HA -0.271 4.053 4.320 0.006 0.000 0.216 195 A C 1.852 179.424 177.584 -0.020 0.000 1.195 195 A CA 1.848 53.872 52.037 -0.021 0.000 0.622 195 A CB -1.172 17.818 19.000 -0.018 0.000 0.831 195 A HN 0.669 nan 8.150 nan 0.000 0.444 196 N N -0.370 118.317 118.700 -0.022 0.000 2.258 196 N HA -0.095 4.648 4.740 0.006 0.000 0.187 196 N C 1.137 176.632 175.510 -0.024 0.000 1.012 196 N CA 1.586 54.624 53.050 -0.019 0.000 0.870 196 N CB -0.348 38.127 38.487 -0.019 0.000 0.977 196 N HN 0.982 nan 8.380 nan 0.000 0.434 197 G N 0.508 109.288 108.800 -0.032 0.000 2.226 197 G HA2 -0.179 3.784 3.960 0.006 0.000 0.176 197 G HA3 -0.179 3.784 3.960 0.006 0.000 0.176 197 G C -0.581 174.293 174.900 -0.044 0.000 1.042 197 G CA -0.558 44.521 45.100 -0.035 0.000 0.732 197 G HN 0.225 nan 8.290 nan 0.000 0.494 198 N N -0.058 118.608 118.700 -0.056 0.000 2.370 198 N HA 0.522 5.265 4.740 0.006 0.000 0.303 198 N C -0.194 175.267 175.510 -0.082 0.000 1.103 198 N CA -0.701 52.310 53.050 -0.065 0.000 0.848 198 N CB 1.715 40.162 38.487 -0.067 0.000 1.235 198 N HN 0.118 nan 8.380 nan 0.000 0.496 199 L N 2.678 123.854 121.223 -0.078 0.000 2.361 199 L HA 0.283 4.627 4.340 0.006 0.000 0.278 199 L C -0.307 176.503 176.870 -0.100 0.000 1.113 199 L CA 0.406 55.195 54.840 -0.085 0.000 0.849 199 L CB -0.392 41.627 42.059 -0.067 0.000 1.155 199 L HN 0.376 nan 8.230 nan 0.000 0.452 200 R N 5.769 126.200 120.500 -0.116 0.000 2.621 200 R HA 0.508 4.852 4.340 0.006 0.000 0.284 200 R C -1.127 175.100 176.300 -0.121 0.000 0.998 200 R CA -0.765 55.259 56.100 -0.127 0.000 0.895 200 R CB 2.056 32.267 30.300 -0.150 0.000 1.195 200 R HN 0.557 nan 8.270 nan 0.000 0.450 201 L N 3.856 125.018 121.223 -0.102 0.000 2.265 201 L HA 0.471 4.814 4.340 0.006 0.000 0.289 201 L C 0.077 176.900 176.870 -0.078 0.000 1.033 201 L CA -0.850 53.934 54.840 -0.093 0.000 0.814 201 L CB 0.893 42.902 42.059 -0.082 0.000 1.203 201 L HN 0.157 nan 8.230 nan 0.000 0.423 202 K N 2.215 122.582 120.400 -0.055 0.000 2.182 202 K HA 0.450 4.774 4.320 0.006 0.000 0.262 202 K C -0.425 176.205 176.600 0.051 0.000 0.957 202 K CA -0.623 55.666 56.287 0.004 0.000 0.842 202 K CB 2.061 34.521 32.500 -0.066 0.000 1.099 202 K HN 0.376 nan 8.250 nan 0.000 0.438 203 S N 1.645 117.380 115.700 0.059 0.000 2.549 203 S HA -0.014 4.459 4.470 0.006 0.000 0.279 203 S C 0.011 174.694 174.600 0.138 0.000 1.321 203 S CA -0.359 57.838 58.200 -0.005 0.000 1.054 203 S CB 0.447 63.643 63.200 -0.006 0.000 0.899 203 S HN 0.416 nan 8.310 nan 0.000 0.497 204 D N 3.141 123.554 120.400 0.022 0.000 2.434 204 D HA 0.075 4.719 4.640 0.006 0.000 0.252 204 D C -1.287 175.123 176.300 0.182 0.000 1.185 204 D CA -1.659 52.503 54.000 0.271 0.000 0.886 204 D CB 0.955 41.874 40.800 0.197 0.000 1.148 204 D HN 0.175 nan 8.370 nan 0.000 0.483 205 P HA -0.070 nan 4.420 nan 0.000 0.237 205 P C -0.011 177.293 177.300 0.007 0.000 1.178 205 P CA 0.648 63.798 63.100 0.083 0.000 0.766 205 P CB 0.014 31.655 31.700 -0.098 0.000 0.876 206 Y N 0.057 120.343 120.300 -0.024 0.000 2.781 206 Y HA 0.472 5.026 4.550 0.006 0.000 0.326 206 Y C 0.842 176.255 175.900 -0.812 0.000 1.019 206 Y CA -0.864 56.977 58.100 -0.432 0.000 1.372 206 Y CB -0.056 38.180 38.460 -0.373 0.000 1.260 206 Y HN -0.120 nan 8.280 nan 0.000 0.546 207 A N -0.042 122.578 122.820 -0.332 0.000 2.404 207 A HA 0.279 4.602 4.320 0.006 0.000 0.273 207 A C 0.113 177.521 177.584 -0.293 0.000 1.144 207 A CA -0.111 51.738 52.037 -0.313 0.000 0.806 207 A CB -0.223 18.704 19.000 -0.122 0.000 1.080 207 A HN 0.535 nan 8.150 nan 0.000 0.509 208 F N 0.690 120.739 119.950 0.164 0.000 2.789 208 F HA 0.266 4.796 4.527 0.005 0.000 0.300 208 F C 0.952 176.902 175.800 0.250 0.000 1.132 208 F CA 0.647 58.788 58.000 0.235 0.000 1.404 208 F CB 0.098 39.258 39.000 0.266 0.000 1.114 208 F HN 0.632 nan 8.300 nan 0.000 0.584 209 E N 0.143 120.508 120.200 0.276 0.000 2.343 209 E HA 0.658 5.012 4.350 0.006 0.000 0.286 209 E C -1.221 175.445 176.600 0.110 0.000 0.915 209 E CA -0.491 56.039 56.400 0.216 0.000 0.784 209 E CB 1.426 31.267 29.700 0.235 0.000 1.251 209 E HN 0.028 nan 8.360 nan 0.000 0.407 210 A N 3.289 126.154 122.820 0.075 0.000 2.392 210 A HA 0.818 5.141 4.320 0.006 0.000 0.283 210 A C -1.093 176.496 177.584 0.008 0.000 1.197 210 A CA -0.657 51.388 52.037 0.013 0.000 0.895 210 A CB 1.615 20.611 19.000 -0.007 0.000 1.400 210 A HN 0.454 nan 8.150 nan 0.000 0.461 211 Q N 0.761 120.550 119.800 -0.018 0.000 2.533 211 Q HA 0.488 4.832 4.340 0.006 0.000 0.251 211 Q C -0.941 175.036 176.000 -0.039 0.000 0.966 211 Q CA -0.156 55.637 55.803 -0.016 0.000 0.714 211 Q CB 0.515 29.253 28.738 0.000 0.000 1.284 211 Q HN 0.739 nan 8.270 nan 0.000 0.478 212 M N 2.118 121.682 119.600 -0.060 0.000 2.200 212 M HA 0.538 5.021 4.480 0.006 0.000 0.355 212 M C -0.509 175.754 176.300 -0.062 0.000 1.283 212 M CA -0.207 55.044 55.300 -0.082 0.000 1.124 212 M CB 0.722 33.248 32.600 -0.123 0.000 1.625 212 M HN 0.456 nan 8.290 nan 0.000 0.463 213 R N 0.028 120.492 120.500 -0.060 0.000 2.080 213 R HA -0.067 4.276 4.340 0.006 0.000 0.362 213 R C -2.821 173.459 176.300 -0.035 0.000 1.156 213 R CA -0.076 55.997 56.100 -0.046 0.000 0.964 213 R CB -1.902 28.372 30.300 -0.045 0.000 2.865 213 R HN 0.628 nan 8.270 nan 0.000 0.490 214 P HA 0.123 nan 4.420 nan 0.000 0.276 214 P C 0.034 177.318 177.300 -0.027 0.000 1.264 214 P CA -0.219 62.865 63.100 -0.026 0.000 0.769 214 P CB 0.575 32.266 31.700 -0.016 0.000 0.840 215 E N 2.463 122.636 120.200 -0.045 0.000 2.892 215 E HA 0.027 4.380 4.350 0.006 0.000 0.273 215 E C 0.277 176.856 176.600 -0.035 0.000 0.921 215 E CA 1.449 57.814 56.400 -0.058 0.000 0.968 215 E CB -0.101 29.552 29.700 -0.079 0.000 0.941 215 E HN 0.784 nan 8.360 nan 0.000 0.492 216 T N -0.081 114.447 114.554 -0.042 0.000 0.541 216 T HA -0.013 4.341 4.350 0.006 0.000 0.774 216 T C -0.428 174.244 174.700 -0.046 0.000 0.992 216 T CA -0.254 61.821 62.100 -0.041 0.000 4.077 216 T CB -1.089 67.764 68.868 -0.025 0.000 2.303 216 T HN 2.006 nan 8.240 nan 0.000 0.398 217 A N 0.673 123.435 122.820 -0.096 0.000 2.397 217 A HA 0.469 4.792 4.320 0.006 0.000 0.676 217 A C 0.187 177.657 177.584 -0.191 0.000 0.138 217 A CA 0.182 52.136 52.037 -0.137 0.000 0.071 217 A CB -1.416 17.579 19.000 -0.008 0.000 3.911 217 A HN 2.185 nan 8.150 nan 0.000 0.542 218 S N 0.799 116.262 115.700 -0.394 0.000 2.632 218 S HA 0.738 5.212 4.470 0.006 0.000 0.271 218 S C 0.065 174.527 174.600 -0.230 0.000 1.260 218 S CA -0.205 57.744 58.200 -0.419 0.000 1.010 218 S CB 1.396 64.104 63.200 -0.820 0.000 0.965 218 S HN 1.710 nan 8.310 nan 0.000 0.534 219 L N 2.066 123.294 121.223 0.008 0.000 2.329 219 L HA 0.554 4.898 4.340 0.006 0.000 0.279 219 L C -0.850 176.230 176.870 0.349 0.000 1.014 219 L CA -0.401 54.545 54.840 0.178 0.000 0.814 219 L CB 0.857 43.000 42.059 0.140 0.000 1.257 219 L HN 0.620 nan 8.230 nan 0.000 0.424 220 I N 5.581 126.377 120.570 0.376 0.000 2.573 220 I HA 0.088 4.262 4.170 0.006 0.000 0.295 220 I C -0.001 176.227 176.117 0.185 0.000 1.141 220 I CA -0.022 61.425 61.300 0.246 0.000 1.364 220 I CB -0.600 37.468 38.000 0.114 0.000 1.447 220 I HN 0.690 nan 8.210 nan 0.000 0.571 221 C N 3.128 122.567 119.300 0.231 0.000 3.108 221 C HA 0.962 5.426 4.460 0.006 0.000 0.321 221 C C 0.751 175.884 174.990 0.239 0.000 1.357 221 C CA -0.459 58.686 59.018 0.212 0.000 1.562 221 C CB 0.826 28.708 27.740 0.237 0.000 2.003 221 C HN 0.723 nan 8.230 nan 0.000 0.460 222 G N -0.038 108.854 108.800 0.153 0.000 3.134 222 G HA2 0.601 4.564 3.960 0.006 0.000 0.158 222 G HA3 0.601 4.564 3.960 0.006 0.000 0.158 222 G C -1.122 173.710 174.900 -0.112 0.000 1.334 222 G CA -0.429 44.721 45.100 0.082 0.000 1.001 222 G HN 0.632 nan 8.290 nan 0.000 0.600 223 L N 1.479 122.641 121.223 -0.101 0.000 2.334 223 L HA 0.516 4.860 4.340 0.006 0.000 0.275 223 L C -1.863 174.934 176.870 -0.122 0.000 1.036 223 L CA -1.760 52.972 54.840 -0.179 0.000 0.807 223 L CB 1.089 43.100 42.059 -0.079 0.000 1.231 223 L HN 0.224 nan 8.230 nan 0.000 0.438 224 P HA 0.170 nan 4.420 nan 0.000 0.272 224 P C -0.735 176.458 177.300 -0.177 0.000 1.240 224 P CA -0.593 62.370 63.100 -0.228 0.000 0.791 224 P CB 0.468 31.883 31.700 -0.475 0.000 0.978 225 E N 1.025 121.144 120.200 -0.135 0.000 2.413 225 E HA 0.019 4.372 4.350 0.006 0.000 0.263 225 E C -0.167 176.358 176.600 -0.125 0.000 1.015 225 E CA 0.319 56.659 56.400 -0.101 0.000 0.916 225 E CB 0.177 29.833 29.700 -0.073 0.000 0.947 225 E HN 0.153 nan 8.360 nan 0.000 0.440 226 K N 0.948 121.296 120.400 -0.086 0.000 2.380 226 K HA 0.161 4.485 4.320 0.006 0.000 0.267 226 K C -0.839 175.715 176.600 -0.077 0.000 0.990 226 K CA -0.240 56.001 56.287 -0.078 0.000 0.946 226 K CB 0.672 33.147 32.500 -0.040 0.000 0.937 226 K HN 0.202 nan 8.250 nan 0.000 0.491 227 V N 3.377 123.248 119.914 -0.071 0.000 2.370 227 V HA 0.147 4.270 4.120 0.006 0.000 0.283 227 V C -0.211 175.854 176.094 -0.048 0.000 1.023 227 V CA -0.980 61.286 62.300 -0.056 0.000 0.857 227 V CB 1.203 33.002 31.823 -0.040 0.000 0.985 227 V HN 0.579 nan 8.190 nan 0.000 0.443 228 V N 3.411 123.294 119.914 -0.052 0.000 2.555 228 V HA 0.419 4.542 4.120 0.006 0.000 0.286 228 V C 0.048 176.096 176.094 -0.076 0.000 1.044 228 V CA -0.229 62.038 62.300 -0.055 0.000 1.026 228 V CB 1.241 33.033 31.823 -0.050 0.000 0.981 228 V HN 1.018 nan 8.190 nan 0.000 0.480 229 Q N 4.036 123.787 119.800 -0.081 0.000 2.288 229 Q HA 0.373 4.716 4.340 0.006 0.000 0.258 229 Q C 0.455 176.385 176.000 -0.117 0.000 0.957 229 Q CA -0.183 55.550 55.803 -0.117 0.000 0.919 229 Q CB 1.014 29.686 28.738 -0.111 0.000 1.185 229 Q HN 1.103 nan 8.270 nan 0.000 0.408 230 T N 0.388 114.850 114.554 -0.152 0.000 2.788 230 T HA 0.064 4.418 4.350 0.006 0.000 0.287 230 T C 0.832 175.468 174.700 -0.108 0.000 1.007 230 T CA -0.455 61.571 62.100 -0.124 0.000 1.005 230 T CB 1.086 69.871 68.868 -0.138 0.000 1.012 230 T HN 0.740 nan 8.240 nan 0.000 0.530 231 E N -0.010 120.141 120.200 -0.082 0.000 2.107 231 E HA -0.077 4.276 4.350 0.006 0.000 0.191 231 E C 2.077 178.636 176.600 -0.069 0.000 0.982 231 E CA 1.003 57.364 56.400 -0.065 0.000 0.809 231 E CB -0.099 29.572 29.700 -0.049 0.000 0.756 231 E HN 0.671 nan 8.360 nan 0.000 0.459 232 E N -0.001 120.152 120.200 -0.078 0.000 2.152 232 E HA -0.068 4.286 4.350 0.006 0.000 0.192 232 E C 2.064 178.607 176.600 -0.096 0.000 0.983 232 E CA 0.496 56.851 56.400 -0.075 0.000 0.818 232 E CB -0.090 29.567 29.700 -0.071 0.000 0.758 232 E HN 0.245 nan 8.360 nan 0.000 0.467 233 R N 0.801 121.220 120.500 -0.135 0.000 2.115 233 R HA -0.016 4.327 4.340 0.006 0.000 0.226 233 R C 2.256 178.481 176.300 -0.125 0.000 1.100 233 R CA 0.835 56.834 56.100 -0.168 0.000 0.980 233 R CB 0.049 30.189 30.300 -0.268 0.000 0.875 233 R HN 0.080 nan 8.270 nan 0.000 0.445 234 K N 0.498 120.835 120.400 -0.105 0.000 2.057 234 K HA -0.127 4.196 4.320 0.006 0.000 0.206 234 K C 2.053 178.621 176.600 -0.053 0.000 1.050 234 K CA 0.864 57.102 56.287 -0.082 0.000 0.935 234 K CB -0.074 32.383 32.500 -0.071 0.000 0.715 234 K HN 0.028 nan 8.250 nan 0.000 0.439 235 K N 1.018 121.392 120.400 -0.044 0.000 2.063 235 K HA -0.122 4.201 4.320 0.006 0.000 0.208 235 K C 2.023 178.623 176.600 -0.001 0.000 1.048 235 K CA 1.295 57.570 56.287 -0.020 0.000 0.928 235 K CB -0.105 32.381 32.500 -0.022 0.000 0.713 235 K HN 0.123 nan 8.250 nan 0.000 0.442 236 A N 0.888 123.701 122.820 -0.012 0.000 2.125 236 A HA -0.133 4.190 4.320 0.006 0.000 0.219 236 A C 1.453 179.118 177.584 0.135 0.000 1.156 236 A CA 1.440 53.497 52.037 0.033 0.000 0.671 236 A CB -0.470 18.511 19.000 -0.033 0.000 0.794 236 A HN 0.481 nan 8.150 nan 0.000 0.459 237 N N -0.884 117.864 118.700 0.080 0.000 2.392 237 N HA 0.017 4.760 4.740 0.006 0.000 0.177 237 N C 0.213 175.774 175.510 0.084 0.000 1.066 237 N CA -0.178 52.928 53.050 0.094 0.000 0.895 237 N CB 0.114 38.596 38.487 -0.009 0.000 0.988 237 N HN 0.597 nan 8.380 nan 0.000 0.457 238 Q N 0.042 119.872 119.800 0.049 0.000 2.421 238 Q HA 0.030 4.373 4.340 0.006 0.000 0.255 238 Q C 0.258 176.371 176.000 0.188 0.000 1.013 238 Q CA 0.035 55.848 55.803 0.017 0.000 0.895 238 Q CB 0.528 29.294 28.738 0.046 0.000 1.271 238 Q HN 0.317 nan 8.270 nan 0.000 0.460 239 F N 0.860 121.010 119.950 0.334 0.000 2.373 239 F HA -0.207 4.324 4.527 0.006 0.000 0.300 239 F C 1.686 177.695 175.800 0.348 0.000 1.080 239 F CA 0.633 58.904 58.000 0.452 0.000 1.417 239 F CB 0.061 39.294 39.000 0.387 0.000 1.070 239 F HN 0.643 nan 8.300 nan 0.000 0.546 240 D N -0.342 120.280 120.400 0.371 0.000 2.369 240 D HA 0.149 4.792 4.640 0.006 0.000 0.211 240 D C 0.618 177.052 176.300 0.224 0.000 1.077 240 D CA 0.152 54.304 54.000 0.253 0.000 0.842 240 D CB -0.360 40.554 40.800 0.190 0.000 0.947 240 D HN 0.061 nan 8.370 nan 0.000 0.509 241 A N 1.311 124.231 122.820 0.168 0.000 2.322 241 A HA 0.560 4.883 4.320 0.006 0.000 0.269 241 A C -2.468 175.035 177.584 -0.135 0.000 1.094 241 A CA -1.317 50.732 52.037 0.021 0.000 0.807 241 A CB 0.205 19.225 19.000 0.034 0.000 1.047 241 A HN 0.026 nan 8.150 nan 0.000 0.487 242 P HA 0.386 nan 4.420 nan 0.000 0.276 242 P C -0.980 176.272 177.300 -0.080 0.000 1.243 242 P CA 0.433 63.170 63.100 -0.605 0.000 0.768 242 P CB 0.425 31.478 31.700 -1.079 0.000 0.856 243 I N 2.051 122.699 120.570 0.130 0.000 2.439 243 I HA 0.240 4.414 4.170 0.006 0.000 0.283 243 I C -0.079 176.080 176.117 0.069 0.000 1.023 243 I CA -0.331 61.001 61.300 0.053 0.000 1.100 243 I CB 1.703 39.602 38.000 -0.168 0.000 1.238 243 I HN 0.209 nan 8.210 nan 0.000 0.445 244 S N 7.669 123.473 115.700 0.173 0.000 2.707 244 S HA 0.649 5.123 4.470 0.006 0.000 0.312 244 S C -0.648 174.165 174.600 0.354 0.000 1.116 244 S CA -0.435 57.877 58.200 0.187 0.000 1.078 244 S CB 0.492 63.869 63.200 0.295 0.000 0.997 244 S HN 0.417 nan 8.310 nan 0.000 0.477 245 I N 4.638 125.331 120.570 0.204 0.000 2.392 245 I HA 0.358 4.532 4.170 0.006 0.000 0.295 245 I C -0.733 175.451 176.117 0.112 0.000 0.985 245 I CA -0.904 60.500 61.300 0.174 0.000 1.221 245 I CB 1.380 39.393 38.000 0.023 0.000 1.366 245 I HN 0.636 nan 8.210 nan 0.000 0.467 246 Y N 5.876 126.007 120.300 -0.283 0.000 2.417 246 Y HA 0.275 4.829 4.550 0.006 0.000 0.336 246 Y C 0.145 175.893 175.900 -0.253 0.000 0.961 246 Y CA -0.514 57.219 58.100 -0.612 0.000 1.215 246 Y CB 0.803 38.573 38.460 -1.150 0.000 1.120 246 Y HN 0.562 nan 8.280 nan 0.000 0.499 247 E N 5.945 125.919 120.200 -0.376 0.000 2.227 247 E HA 0.454 4.808 4.350 0.006 0.000 0.282 247 E C -1.492 174.844 176.600 -0.439 0.000 1.015 247 E CA -0.631 55.646 56.400 -0.205 0.000 0.823 247 E CB 1.198 30.959 29.700 0.102 0.000 1.081 247 E HN 0.542 nan 8.360 nan 0.000 0.396 248 V N 2.381 122.113 119.914 -0.304 0.000 2.733 248 V HA 0.350 4.473 4.120 0.006 0.000 0.306 248 V C -0.823 175.198 176.094 -0.121 0.000 1.084 248 V CA -0.950 61.134 62.300 -0.360 0.000 0.905 248 V CB 1.651 33.211 31.823 -0.438 0.000 1.010 248 V HN 0.790 nan 8.190 nan 0.000 0.424 249 H N 4.935 123.915 119.070 -0.150 0.000 2.652 249 H HA 0.450 5.009 4.556 0.006 0.000 0.298 249 H C 0.311 175.653 175.328 0.023 0.000 1.076 249 H CA -0.410 55.631 56.048 -0.011 0.000 1.360 249 H CB 1.885 31.732 29.762 0.142 0.000 1.421 249 H HN 0.854 nan 8.280 nan 0.000 0.464 250 L N 3.704 124.631 121.223 -0.493 0.000 2.275 250 L HA -0.046 4.298 4.340 0.006 0.000 0.215 250 L C 2.405 178.899 176.870 -0.626 0.000 1.119 250 L CA 1.147 55.612 54.840 -0.624 0.000 0.790 250 L CB -0.145 41.342 42.059 -0.953 0.000 0.919 250 L HN 0.738 nan 8.230 nan 0.000 0.443 251 G N -1.025 107.412 108.800 -0.605 0.000 2.744 251 G HA2 -0.097 3.867 3.960 0.006 0.000 0.211 251 G HA3 -0.097 3.867 3.960 0.006 0.000 0.211 251 G C 1.114 176.340 174.900 0.544 0.000 1.143 251 G CA 0.820 45.950 45.100 0.049 0.000 0.788 251 G HN 0.490 nan 8.290 nan 0.000 0.534 252 S N -2.690 113.330 115.700 0.533 0.000 2.993 252 S HA 0.053 4.527 4.470 0.006 0.000 0.257 252 S C 0.993 175.911 174.600 0.529 0.000 0.997 252 S CA -0.363 58.220 58.200 0.639 0.000 1.191 252 S CB -0.493 63.221 63.200 0.856 0.000 1.143 252 S HN 0.340 nan 8.310 nan 0.000 0.655 253 W N 3.186 124.629 121.300 0.238 0.000 2.380 253 W HA 0.314 4.977 4.660 0.005 0.000 0.317 253 W C 0.669 177.423 176.519 0.392 0.000 1.196 253 W CA 1.080 58.565 57.345 0.232 0.000 1.307 253 W CB 0.110 29.635 29.460 0.108 0.000 1.157 253 W HN 0.173 nan 8.180 nan 0.000 0.483 254 R N -0.010 120.644 120.500 0.257 0.000 2.740 254 R HA 0.426 4.769 4.340 0.006 0.000 0.273 254 R C -0.889 175.469 176.300 0.096 0.000 0.998 254 R CA -0.982 55.120 56.100 0.003 0.000 0.900 254 R CB 2.074 32.119 30.300 -0.425 0.000 1.223 254 R HN -0.299 nan 8.270 nan 0.000 0.466 255 R N 0.645 121.168 120.500 0.037 0.000 2.854 255 R HA 0.342 4.686 4.340 0.006 0.000 0.271 255 R C -0.786 175.473 176.300 -0.068 0.000 0.994 255 R CA -1.067 55.058 56.100 0.040 0.000 0.945 255 R CB 1.306 31.672 30.300 0.109 0.000 1.194 255 R HN 0.659 nan 8.270 nan 0.000 0.476 256 H N 0.038 119.159 119.070 0.085 0.000 2.732 256 H HA 0.037 4.597 4.556 0.006 0.000 0.351 256 H C 1.011 176.320 175.328 -0.032 0.000 1.090 256 H CA 0.693 56.755 56.048 0.022 0.000 1.431 256 H CB 0.850 30.631 29.762 0.032 0.000 1.447 256 H HN 0.539 nan 8.280 nan 0.000 0.582 257 T N 1.353 115.957 114.554 0.082 0.000 2.622 257 T HA -0.205 4.148 4.350 0.006 0.000 0.266 257 T C 1.252 175.932 174.700 -0.034 0.000 1.047 257 T CA 1.573 63.681 62.100 0.012 0.000 1.159 257 T CB -0.089 68.781 68.868 0.003 0.000 0.863 257 T HN 0.668 nan 8.240 nan 0.000 0.422 258 D N 2.292 122.653 120.400 -0.064 0.000 2.092 258 D HA -0.129 4.515 4.640 0.006 0.000 0.193 258 D C 1.888 178.077 176.300 -0.185 0.000 0.994 258 D CA 1.503 55.432 54.000 -0.119 0.000 0.828 258 D CB -0.501 40.213 40.800 -0.143 0.000 0.963 258 D HN 0.715 nan 8.370 nan 0.000 0.450 259 N N -0.510 118.005 118.700 -0.307 0.000 2.197 259 N HA -0.054 4.689 4.740 0.006 0.000 0.201 259 N C 0.527 175.808 175.510 -0.382 0.000 1.148 259 N CA -0.023 52.700 53.050 -0.546 0.000 0.883 259 N CB 0.351 38.051 38.487 -1.311 0.000 1.012 259 N HN 0.101 nan 8.380 nan 0.000 0.507 260 N N -0.078 118.527 118.700 -0.159 0.000 2.800 260 N HA -0.164 4.580 4.740 0.006 0.000 0.250 260 N C -1.055 174.514 175.510 0.099 0.000 1.078 260 N CA -0.052 52.989 53.050 -0.016 0.000 0.804 260 N CB -1.232 37.240 38.487 -0.025 0.000 1.135 260 N HN 0.248 nan 8.380 nan 0.000 0.565 261 F N 0.515 120.468 119.950 0.005 0.000 2.490 261 F HA 0.046 4.576 4.527 0.006 0.000 0.336 261 F C 1.382 177.230 175.800 0.079 0.000 1.178 261 F CA -0.957 57.033 58.000 -0.017 0.000 1.301 261 F CB 0.240 39.320 39.000 0.134 0.000 1.175 261 F HN -0.034 nan 8.300 nan 0.000 0.593 262 W N 3.103 124.623 121.300 0.367 0.000 2.187 262 W HA 0.106 4.769 4.660 0.005 0.000 0.348 262 W C -0.129 176.546 176.519 0.261 0.000 1.282 262 W CA -0.733 56.786 57.345 0.289 0.000 1.271 262 W CB -0.128 29.542 29.460 0.350 0.000 1.170 262 W HN 0.209 nan 8.180 nan 0.000 0.583 263 L N 3.239 124.675 121.223 0.355 0.000 2.380 263 L HA 0.071 4.414 4.340 0.006 0.000 0.273 263 L C 1.216 178.228 176.870 0.236 0.000 1.138 263 L CA -0.299 54.664 54.840 0.205 0.000 0.832 263 L CB 0.344 42.442 42.059 0.065 0.000 1.124 263 L HN 0.407 nan 8.230 nan 0.000 0.454 264 S N 1.642 117.488 115.700 0.243 0.000 2.606 264 S HA 0.056 4.529 4.470 0.006 0.000 0.257 264 S C 1.065 175.708 174.600 0.071 0.000 1.327 264 S CA -0.306 57.977 58.200 0.140 0.000 0.984 264 S CB 0.373 63.673 63.200 0.167 0.000 0.941 264 S HN 0.427 nan 8.310 nan 0.000 0.576 265 Y N 0.868 121.263 120.300 0.158 0.000 2.165 265 Y HA -0.070 4.483 4.550 0.005 0.000 0.286 265 Y C 2.839 178.868 175.900 0.214 0.000 1.155 265 Y CA 1.698 59.854 58.100 0.093 0.000 1.164 265 Y CB -0.700 37.897 38.460 0.228 0.000 0.978 265 Y HN 0.615 nan 8.280 nan 0.000 0.513 266 R N -0.051 120.676 120.500 0.378 0.000 2.092 266 R HA -0.141 4.203 4.340 0.006 0.000 0.231 266 R C 2.081 178.558 176.300 0.295 0.000 1.119 266 R CA 1.521 57.816 56.100 0.325 0.000 0.970 266 R CB -0.257 30.112 30.300 0.115 0.000 0.864 266 R HN 0.467 nan 8.270 nan 0.000 0.440 267 E N 0.569 120.912 120.200 0.239 0.000 2.106 267 E HA -0.140 4.213 4.350 0.006 0.000 0.192 267 E C 1.949 178.683 176.600 0.223 0.000 0.984 267 E CA 0.855 57.387 56.400 0.219 0.000 0.806 267 E CB -0.015 29.818 29.700 0.221 0.000 0.750 267 E HN 0.255 nan 8.360 nan 0.000 0.458 268 L N 0.609 121.952 121.223 0.200 0.000 2.131 268 L HA -0.165 4.179 4.340 0.006 0.000 0.210 268 L C 2.522 179.612 176.870 0.366 0.000 1.092 268 L CA 0.875 55.820 54.840 0.175 0.000 0.759 268 L CB -0.396 41.599 42.059 -0.108 0.000 0.903 268 L HN 0.148 nan 8.230 nan 0.000 0.435 269 A N -0.128 122.988 122.820 0.494 0.000 1.933 269 A HA -0.228 4.095 4.320 0.006 0.000 0.218 269 A C 1.920 179.646 177.584 0.237 0.000 1.175 269 A CA 1.969 54.251 52.037 0.408 0.000 0.628 269 A CB -0.446 18.831 19.000 0.461 0.000 0.814 269 A HN 0.385 nan 8.150 nan 0.000 0.444 270 D N -1.072 119.473 120.400 0.240 0.000 2.224 270 D HA -0.070 4.574 4.640 0.006 0.000 0.205 270 D C 1.934 178.331 176.300 0.161 0.000 0.965 270 D CA 1.259 55.367 54.000 0.179 0.000 0.852 270 D CB -0.004 40.897 40.800 0.167 0.000 0.947 270 D HN 0.689 nan 8.370 nan 0.000 0.494 271 Q N -0.869 119.049 119.800 0.197 0.000 2.534 271 Q HA 0.112 4.455 4.340 0.006 0.000 0.252 271 Q C 1.824 177.988 176.000 0.274 0.000 0.850 271 Q CA -0.224 55.726 55.803 0.245 0.000 0.974 271 Q CB 0.369 29.278 28.738 0.286 0.000 1.205 271 Q HN 0.019 nan 8.270 nan 0.000 0.593 272 L N 0.701 121.959 121.223 0.060 0.000 2.072 272 L HA -0.032 4.311 4.340 0.006 0.000 0.205 272 L C 1.979 178.846 176.870 -0.004 0.000 1.079 272 L CA 1.341 55.977 54.840 -0.341 0.000 0.752 272 L CB -0.384 41.359 42.059 -0.526 0.000 0.906 272 L HN -0.019 nan 8.230 nan 0.000 0.436 273 V N 0.900 120.851 119.914 0.061 0.000 2.223 273 V HA -0.176 3.947 4.120 0.006 0.000 0.244 273 V C -0.036 176.103 176.094 0.076 0.000 1.045 273 V CA 2.354 64.661 62.300 0.012 0.000 1.000 273 V CB -1.741 30.027 31.823 -0.093 0.000 0.635 273 V HN 0.351 nan 8.190 nan 0.000 0.445 274 P HA -0.225 nan 4.420 nan 0.000 0.216 274 P C 1.528 178.961 177.300 0.222 0.000 1.150 274 P CA 1.742 64.926 63.100 0.140 0.000 0.843 274 P CB -0.153 31.620 31.700 0.121 0.000 0.787 275 Y N 0.669 121.060 120.300 0.151 0.000 2.163 275 Y HA -0.112 4.441 4.550 0.006 0.000 0.288 275 Y C 2.427 178.458 175.900 0.217 0.000 1.136 275 Y CA 1.869 60.104 58.100 0.225 0.000 1.147 275 Y CB -0.960 37.692 38.460 0.319 0.000 0.987 275 Y HN -0.107 nan 8.280 nan 0.000 0.509 276 A N 0.483 123.378 122.820 0.125 0.000 1.969 276 A HA -0.129 4.195 4.320 0.006 0.000 0.218 276 A C 2.304 179.961 177.584 0.122 0.000 1.169 276 A CA 1.569 53.614 52.037 0.013 0.000 0.635 276 A CB -0.677 18.340 19.000 0.027 0.000 0.810 276 A HN 0.504 nan 8.150 nan 0.000 0.445 277 K N -0.982 119.485 120.400 0.111 0.000 1.984 277 K HA -0.188 4.135 4.320 0.006 0.000 0.209 277 K C 2.026 178.690 176.600 0.106 0.000 1.046 277 K CA 1.437 57.787 56.287 0.105 0.000 0.934 277 K CB -0.447 32.114 32.500 0.101 0.000 0.717 277 K HN 0.722 nan 8.250 nan 0.000 0.438 278 W N 1.112 122.385 121.300 -0.046 0.000 2.305 278 W HA -0.249 4.414 4.660 0.006 0.000 0.308 278 W C 1.458 177.902 176.519 -0.126 0.000 1.226 278 W CA 1.058 58.363 57.345 -0.067 0.000 1.253 278 W CB -0.049 29.381 29.460 -0.050 0.000 1.146 278 W HN 0.159 nan 8.180 nan 0.000 0.507 279 M N 0.502 120.039 119.600 -0.104 0.000 2.632 279 M HA 0.001 4.484 4.480 0.006 0.000 0.256 279 M C 1.805 177.858 176.300 -0.412 0.000 1.080 279 M CA 1.689 56.822 55.300 -0.278 0.000 1.084 279 M CB -1.763 30.710 32.600 -0.212 0.000 1.439 279 M HN 0.298 nan 8.290 nan 0.000 0.509 280 G N 0.377 109.015 108.800 -0.270 0.000 2.136 280 G HA2 -0.262 3.702 3.960 0.006 0.000 0.242 280 G HA3 -0.262 3.702 3.960 0.006 0.000 0.242 280 G C 0.006 174.786 174.900 -0.200 0.000 0.989 280 G CA -0.320 44.631 45.100 -0.248 0.000 0.682 280 G HN 0.409 nan 8.290 nan 0.000 0.522 281 F N 0.568 120.515 119.950 -0.006 0.000 2.450 281 F HA 0.421 4.951 4.527 0.006 0.000 0.339 281 F C 2.097 177.946 175.800 0.081 0.000 1.146 281 F CA 0.875 58.920 58.000 0.075 0.000 1.267 281 F CB 1.015 40.058 39.000 0.072 0.000 1.178 281 F HN 0.109 nan 8.300 nan 0.000 0.585 282 T N -2.968 111.792 114.554 0.343 0.000 3.023 282 T HA 0.152 4.506 4.350 0.006 0.000 0.249 282 T C 0.301 175.112 174.700 0.185 0.000 1.050 282 T CA 0.345 62.592 62.100 0.245 0.000 1.088 282 T CB -0.184 68.878 68.868 0.323 0.000 0.946 282 T HN 0.517 nan 8.240 nan 0.000 0.480 283 H N -0.119 119.037 119.070 0.142 0.000 2.717 283 H HA 0.570 5.129 4.556 0.006 0.000 0.366 283 H C -1.586 173.792 175.328 0.083 0.000 1.132 283 H CA -1.090 55.008 56.048 0.084 0.000 1.180 283 H CB 2.254 32.047 29.762 0.051 0.000 1.678 283 H HN 0.028 nan 8.280 nan 0.000 0.537 284 L N 2.237 123.540 121.223 0.133 0.000 2.282 284 L HA 0.218 4.562 4.340 0.006 0.000 0.288 284 L C 0.129 177.049 176.870 0.083 0.000 1.033 284 L CA 0.006 54.897 54.840 0.085 0.000 0.807 284 L CB 1.196 43.275 42.059 0.034 0.000 1.209 284 L HN 0.638 nan 8.230 nan 0.000 0.423 285 E N 4.871 125.099 120.200 0.047 0.000 2.176 285 E HA 0.444 4.797 4.350 0.006 0.000 0.267 285 E C -1.594 175.011 176.600 0.009 0.000 0.893 285 E CA -0.626 55.807 56.400 0.054 0.000 0.761 285 E CB 1.202 30.960 29.700 0.096 0.000 1.133 285 E HN 0.535 nan 8.360 nan 0.000 0.409 286 L N 4.582 125.811 121.223 0.011 0.000 2.295 286 L HA 0.361 4.704 4.340 0.006 0.000 0.285 286 L C -0.117 176.722 176.870 -0.051 0.000 1.035 286 L CA -1.013 53.808 54.840 -0.030 0.000 0.806 286 L CB 0.911 42.961 42.059 -0.016 0.000 1.214 286 L HN 0.453 nan 8.230 nan 0.000 0.426 287 L N 4.225 125.410 121.223 -0.064 0.000 2.482 287 L HA 0.160 4.504 4.340 0.006 0.000 0.273 287 L C -1.928 174.831 176.870 -0.185 0.000 1.228 287 L CA -0.877 53.894 54.840 -0.116 0.000 0.827 287 L CB -0.500 41.537 42.059 -0.036 0.000 1.099 287 L HN 0.356 nan 8.230 nan 0.000 0.494 288 P HA -0.085 nan 4.420 nan 0.000 0.256 288 P C 0.277 177.435 177.300 -0.236 0.000 1.173 288 P CA 0.437 63.337 63.100 -0.335 0.000 0.768 288 P CB 0.106 31.514 31.700 -0.486 0.000 0.758 289 I N -0.002 120.412 120.570 -0.260 0.000 3.793 289 I HA 0.116 4.289 4.170 0.006 0.000 0.315 289 I C 0.358 176.388 176.117 -0.144 0.000 1.275 289 I CA -0.338 60.831 61.300 -0.218 0.000 1.214 289 I CB -1.312 36.403 38.000 -0.476 0.000 1.018 289 I HN 0.106 nan 8.210 nan 0.000 0.439 290 N N 3.237 121.878 118.700 -0.099 0.000 1.960 290 N HA -0.172 4.571 4.740 0.006 0.000 0.299 290 N C 0.176 175.806 175.510 0.200 0.000 1.267 290 N CA 0.361 53.451 53.050 0.067 0.000 0.802 290 N CB 0.179 38.674 38.487 0.014 0.000 1.031 290 N HN 0.341 nan 8.380 nan 0.000 0.490 291 E N 3.240 123.522 120.200 0.136 0.000 2.415 291 E HA -0.047 4.306 4.350 0.006 0.000 0.260 291 E C -0.658 176.021 176.600 0.131 0.000 1.016 291 E CA 0.330 56.772 56.400 0.068 0.000 0.924 291 E CB 0.143 29.857 29.700 0.023 0.000 0.961 291 E HN 0.438 nan 8.360 nan 0.000 0.459 292 H N 3.512 122.546 119.070 -0.060 0.000 2.851 292 H HA 0.364 4.923 4.556 0.006 0.000 0.372 292 H C -2.447 172.828 175.328 -0.088 0.000 1.158 292 H CA -2.332 53.691 56.048 -0.041 0.000 1.159 292 H CB 1.425 31.187 29.762 -0.001 0.000 1.757 292 H HN 0.298 nan 8.280 nan 0.000 0.546 293 P HA 0.083 nan 4.420 nan 0.000 0.222 293 P C -0.265 176.724 177.300 -0.518 0.000 1.157 293 P CA 0.525 63.388 63.100 -0.395 0.000 0.816 293 P CB 0.417 31.797 31.700 -0.534 0.000 0.813 294 F N 0.779 120.773 119.950 0.074 0.000 2.426 294 F HA 0.267 4.797 4.527 0.006 0.000 0.348 294 F C 1.277 177.181 175.800 0.174 0.000 1.124 294 F CA -0.808 57.248 58.000 0.094 0.000 1.008 294 F CB 0.930 39.964 39.000 0.055 0.000 1.139 294 F HN -0.317 nan 8.300 nan 0.000 0.452 295 D N 2.339 122.948 120.400 0.348 0.000 2.221 295 D HA -0.133 4.511 4.640 0.006 0.000 0.204 295 D C 2.225 178.655 176.300 0.216 0.000 0.982 295 D CA 1.221 55.462 54.000 0.403 0.000 0.857 295 D CB -0.204 40.903 40.800 0.512 0.000 0.934 295 D HN 0.826 nan 8.370 nan 0.000 0.475 296 G N 0.606 109.447 108.800 0.069 0.000 2.509 296 G HA2 -0.190 3.774 3.960 0.006 0.000 0.218 296 G HA3 -0.190 3.774 3.960 0.006 0.000 0.218 296 G C 1.636 176.242 174.900 -0.490 0.000 1.124 296 G CA 0.981 45.891 45.100 -0.317 0.000 0.776 296 G HN 0.412 nan 8.290 nan 0.000 0.547 297 S N -1.325 114.256 115.700 -0.199 0.000 2.489 297 S HA -0.046 4.427 4.470 0.006 0.000 0.228 297 S C 1.267 175.774 174.600 -0.154 0.000 0.995 297 S CA 0.843 58.880 58.200 -0.271 0.000 0.934 297 S CB -0.459 62.716 63.200 -0.040 0.000 0.771 297 S HN 0.648 nan 8.310 nan 0.000 0.522 298 W N 0.218 121.539 121.300 0.033 0.000 2.062 298 W HA -0.202 4.461 4.660 0.006 0.000 0.257 298 W C 1.240 177.664 176.519 -0.159 0.000 1.024 298 W CA 0.402 57.787 57.345 0.067 0.000 0.471 298 W CB -2.393 27.186 29.460 0.199 0.000 2.039 298 W HN 1.067 nan 8.180 nan 0.000 1.321 299 G N -2.086 106.502 108.800 -0.354 0.000 2.192 299 G HA2 -0.315 3.648 3.960 0.006 0.000 0.193 299 G HA3 -0.315 3.648 3.960 0.006 0.000 0.193 299 G C 0.336 174.914 174.900 -0.536 0.000 0.999 299 G CA 0.124 44.639 45.100 -0.974 0.000 0.659 299 G HN 0.334 nan 8.290 nan 0.000 0.503 300 Y N 0.890 121.069 120.300 -0.202 0.000 2.529 300 Y HA 0.352 4.905 4.550 0.006 0.000 0.290 300 Y C 1.767 177.503 175.900 -0.274 0.000 1.177 300 Y CA 1.052 59.005 58.100 -0.244 0.000 1.305 300 Y CB 0.577 38.841 38.460 -0.326 0.000 1.047 300 Y HN 0.330 nan 8.280 nan 0.000 0.522 301 Q N 1.711 121.488 119.800 -0.040 0.000 2.700 301 Q HA 0.237 4.580 4.340 0.006 0.000 0.249 301 Q C -2.584 173.459 176.000 0.072 0.000 1.033 301 Q CA -2.190 53.627 55.803 0.024 0.000 0.804 301 Q CB 1.239 30.006 28.738 0.048 0.000 1.164 301 Q HN 0.063 nan 8.270 nan 0.000 0.500 302 P HA 0.147 nan 4.420 nan 0.000 0.276 302 P C 0.230 177.559 177.300 0.048 0.000 1.261 302 P CA -0.157 62.983 63.100 0.067 0.000 0.800 302 P CB 1.406 33.132 31.700 0.043 0.000 1.066 303 T N -5.095 109.487 114.554 0.046 0.000 3.080 303 T HA 0.383 4.737 4.350 0.006 0.000 0.280 303 T C 0.574 175.285 174.700 0.017 0.000 0.926 303 T CA -0.059 62.048 62.100 0.013 0.000 0.883 303 T CB -0.355 68.523 68.868 0.017 0.000 1.194 303 T HN 0.587 nan 8.240 nan 0.000 0.541 304 G N 1.347 110.175 108.800 0.046 0.000 2.738 304 G HA2 0.532 4.495 3.960 0.006 0.000 0.281 304 G HA3 0.532 4.495 3.960 0.006 0.000 0.281 304 G C 0.211 175.173 174.900 0.104 0.000 1.527 304 G CA -0.448 44.691 45.100 0.066 0.000 1.132 304 G HN 0.092 nan 8.290 nan 0.000 0.569 305 L N 1.217 122.494 121.223 0.089 0.000 2.240 305 L HA 0.107 4.451 4.340 0.006 0.000 0.211 305 L C 1.379 178.237 176.870 -0.020 0.000 1.106 305 L CA 1.395 56.252 54.840 0.029 0.000 0.793 305 L CB -0.584 41.384 42.059 -0.151 0.000 0.927 305 L HN 0.656 nan 8.230 nan 0.000 0.446 306 Y N -0.743 119.501 120.300 -0.092 0.000 2.507 306 Y HA 0.424 4.977 4.550 0.006 0.000 0.254 306 Y C 0.888 176.828 175.900 0.067 0.000 1.171 306 Y CA -0.317 57.618 58.100 -0.275 0.000 1.238 306 Y CB 0.304 38.435 38.460 -0.548 0.000 1.148 306 Y HN -0.000 nan 8.280 nan 0.000 0.525 307 A N 1.034 124.030 122.820 0.293 0.000 2.318 307 A HA 0.630 4.953 4.320 0.006 0.000 0.317 307 A C -2.838 174.918 177.584 0.287 0.000 1.159 307 A CA -1.939 50.279 52.037 0.303 0.000 0.799 307 A CB 0.595 19.706 19.000 0.186 0.000 1.194 307 A HN -0.116 nan 8.150 nan 0.000 0.479 308 P HA 0.127 nan 4.420 nan 0.000 0.271 308 P C 0.374 177.703 177.300 0.049 0.000 1.220 308 P CA 0.245 63.357 63.100 0.020 0.000 0.768 308 P CB 0.587 32.205 31.700 -0.137 0.000 0.848 309 T N 2.665 117.211 114.554 -0.013 0.000 2.891 309 T HA -0.094 4.259 4.350 0.006 0.000 0.296 309 T C 1.370 175.988 174.700 -0.136 0.000 1.025 309 T CA 0.191 62.223 62.100 -0.113 0.000 1.149 309 T CB -0.037 68.674 68.868 -0.262 0.000 1.007 309 T HN 0.245 nan 8.240 nan 0.000 0.528 310 R N 3.158 123.551 120.500 -0.177 0.000 2.307 310 R HA 0.188 4.531 4.340 0.006 0.000 0.199 310 R C 2.396 178.497 176.300 -0.332 0.000 1.000 310 R CA 0.983 57.001 56.100 -0.138 0.000 1.023 310 R CB -0.260 29.991 30.300 -0.082 0.000 0.908 310 R HN 0.696 nan 8.270 nan 0.000 0.473 311 R N -0.966 119.130 120.500 -0.673 0.000 2.103 311 R HA -0.143 4.201 4.340 0.006 0.000 0.242 311 R C 0.473 176.123 176.300 -1.083 0.000 1.142 311 R CA 1.939 57.375 56.100 -1.107 0.000 0.960 311 R CB -0.130 28.968 30.300 -2.005 0.000 0.858 311 R HN 0.269 nan 8.270 nan 0.000 0.439 312 F N -0.670 118.920 119.950 -0.600 0.000 2.647 312 F HA 0.401 4.931 4.527 0.006 0.000 0.300 312 F C 0.883 176.286 175.800 -0.661 0.000 1.106 312 F CA 0.061 57.589 58.000 -0.786 0.000 1.313 312 F CB 1.091 39.323 39.000 -1.280 0.000 1.007 312 F HN 0.178 nan 8.300 nan 0.000 0.536 313 G N 0.514 109.210 108.800 -0.173 0.000 2.331 313 G HA2 0.061 4.024 3.960 0.006 0.000 0.479 313 G HA3 0.061 4.024 3.960 0.006 0.000 0.479 313 G C -0.311 174.769 174.900 0.300 0.000 1.262 313 G CA -0.689 44.481 45.100 0.117 0.000 1.029 313 G HN 0.277 nan 8.290 nan 0.000 0.487 314 T N -2.037 112.712 114.554 0.325 0.000 2.732 314 T HA 0.512 4.865 4.350 0.006 0.000 0.287 314 T C 1.727 176.661 174.700 0.390 0.000 0.993 314 T CA 0.880 63.159 62.100 0.297 0.000 0.966 314 T CB 1.197 70.198 68.868 0.221 0.000 1.047 314 T HN 1.435 nan 8.240 nan 0.000 0.527 315 R N 0.044 120.751 120.500 0.345 0.000 2.153 315 R HA 0.059 4.402 4.340 0.006 0.000 0.218 315 R C 1.338 177.884 176.300 0.410 0.000 1.072 315 R CA 1.312 57.667 56.100 0.425 0.000 0.990 315 R CB -0.810 29.768 30.300 0.463 0.000 0.889 315 R HN 0.560 nan 8.270 nan 0.000 0.452 316 D N 0.971 121.544 120.400 0.289 0.000 2.224 316 D HA -0.099 4.544 4.640 0.006 0.000 0.205 316 D C 0.847 177.297 176.300 0.249 0.000 0.965 316 D CA 1.039 55.171 54.000 0.219 0.000 0.852 316 D CB -0.205 40.688 40.800 0.155 0.000 0.947 316 D HN 0.288 nan 8.370 nan 0.000 0.494 317 D N -0.248 120.327 120.400 0.292 0.000 2.178 317 D HA -0.126 4.517 4.640 0.006 0.000 0.202 317 D C 1.729 178.229 176.300 0.333 0.000 0.974 317 D CA 0.320 54.529 54.000 0.348 0.000 0.841 317 D CB -0.261 40.810 40.800 0.452 0.000 0.953 317 D HN 0.201 nan 8.370 nan 0.000 0.478 318 F N 1.887 121.800 119.950 -0.061 0.000 2.163 318 F HA -0.048 4.482 4.527 0.006 0.000 0.297 318 F C 2.286 178.132 175.800 0.076 0.000 1.094 318 F CA 0.821 58.556 58.000 -0.442 0.000 1.290 318 F CB -0.078 38.538 39.000 -0.640 0.000 1.017 318 F HN -0.237 nan 8.300 nan 0.000 0.483 319 R N -0.264 120.307 120.500 0.118 0.000 2.081 319 R HA -0.257 4.086 4.340 0.006 0.000 0.235 319 R C 2.181 178.462 176.300 -0.032 0.000 1.131 319 R CA 2.167 58.278 56.100 0.018 0.000 0.960 319 R CB -1.806 28.509 30.300 0.024 0.000 0.856 319 R HN 0.482 nan 8.270 nan 0.000 0.436 320 Y N -0.051 120.238 120.300 -0.019 0.000 2.224 320 Y HA -0.214 4.340 4.550 0.006 0.000 0.289 320 Y C 1.853 177.739 175.900 -0.024 0.000 1.146 320 Y CA 2.086 60.186 58.100 -0.001 0.000 1.182 320 Y CB -0.504 38.001 38.460 0.075 0.000 0.983 320 Y HN 0.192 nan 8.280 nan 0.000 0.524 321 F N 0.240 120.178 119.950 -0.021 0.000 2.102 321 F HA -0.265 4.266 4.527 0.006 0.000 0.298 321 F C 1.952 177.549 175.800 -0.339 0.000 1.105 321 F CA 1.669 59.592 58.000 -0.128 0.000 1.239 321 F CB -0.400 38.572 39.000 -0.046 0.000 0.991 321 F HN -0.009 nan 8.300 nan 0.000 0.474 322 I N 0.949 121.167 120.570 -0.586 0.000 2.208 322 I HA -0.287 3.886 4.170 0.006 0.000 0.245 322 I C 2.038 177.694 176.117 -0.769 0.000 1.097 322 I CA 1.450 62.293 61.300 -0.762 0.000 1.363 322 I CB -1.612 36.025 38.000 -0.605 0.000 1.051 322 I HN 0.207 nan 8.210 nan 0.000 0.413 323 D N 1.256 121.355 120.400 -0.501 0.000 2.133 323 D HA -0.162 4.482 4.640 0.006 0.000 0.195 323 D C 2.275 178.336 176.300 -0.399 0.000 0.997 323 D CA 1.763 55.543 54.000 -0.365 0.000 0.840 323 D CB -0.134 40.495 40.800 -0.285 0.000 0.947 323 D HN 0.345 nan 8.370 nan 0.000 0.452 324 A N 1.131 123.639 122.820 -0.520 0.000 1.902 324 A HA -0.031 4.293 4.320 0.006 0.000 0.217 324 A C 2.360 179.717 177.584 -0.378 0.000 1.181 324 A CA 2.298 54.071 52.037 -0.439 0.000 0.623 324 A CB -0.797 17.929 19.000 -0.455 0.000 0.818 324 A HN 0.236 nan 8.150 nan 0.000 0.443 325 A N -0.458 122.030 122.820 -0.553 0.000 1.892 325 A HA -0.251 4.073 4.320 0.006 0.000 0.218 325 A C 1.938 179.380 177.584 -0.236 0.000 1.188 325 A CA 1.932 53.698 52.037 -0.452 0.000 0.631 325 A CB -1.125 17.500 19.000 -0.624 0.000 0.822 325 A HN 0.780 nan 8.150 nan 0.000 0.447 326 H N -0.921 117.990 119.070 -0.266 0.000 2.321 326 H HA 0.014 4.574 4.556 0.006 0.000 0.300 326 H C 2.503 177.734 175.328 -0.162 0.000 1.087 326 H CA 0.724 56.653 56.048 -0.198 0.000 1.319 326 H CB -0.052 29.599 29.762 -0.185 0.000 1.379 326 H HN 0.563 nan 8.280 nan 0.000 0.501 327 A N 1.097 123.888 122.820 -0.049 0.000 2.024 327 A HA -0.107 4.216 4.320 0.006 0.000 0.220 327 A C 2.308 179.858 177.584 -0.057 0.000 1.164 327 A CA 1.354 53.352 52.037 -0.066 0.000 0.643 327 A CB -0.609 18.331 19.000 -0.100 0.000 0.806 327 A HN 0.477 nan 8.150 nan 0.000 0.451 328 A N -1.501 121.277 122.820 -0.069 0.000 2.278 328 A HA 0.430 4.753 4.320 0.006 0.000 0.212 328 A C 1.618 179.183 177.584 -0.031 0.000 1.213 328 A CA 0.989 53.001 52.037 -0.042 0.000 0.840 328 A CB -1.077 17.898 19.000 -0.042 0.000 0.866 328 A HN 1.880 nan 8.150 nan 0.000 0.489 329 G N -0.686 108.092 108.800 -0.036 0.000 2.246 329 G HA2 -0.215 3.749 3.960 0.006 0.000 0.273 329 G HA3 -0.215 3.749 3.960 0.006 0.000 0.273 329 G C -0.137 174.734 174.900 -0.048 0.000 1.055 329 G CA 0.484 45.559 45.100 -0.042 0.000 0.851 329 G HN 0.473 nan 8.290 nan 0.000 0.500 330 L N -0.104 121.089 121.223 -0.049 0.000 2.317 330 L HA 0.411 4.754 4.340 0.006 0.000 0.281 330 L C 0.794 177.610 176.870 -0.091 0.000 1.024 330 L CA -0.864 53.930 54.840 -0.076 0.000 0.810 330 L CB 1.303 43.319 42.059 -0.071 0.000 1.240 330 L HN 0.193 nan 8.230 nan 0.000 0.427 331 N N 0.828 119.361 118.700 -0.277 0.000 2.513 331 N HA 0.398 5.141 4.740 0.006 0.000 0.274 331 N C -1.187 174.222 175.510 -0.169 0.000 1.189 331 N CA -0.503 52.357 53.050 -0.317 0.000 0.975 331 N CB 1.852 39.882 38.487 -0.762 0.000 1.157 331 N HN 0.163 nan 8.380 nan 0.000 0.465 332 V N 3.314 123.208 119.914 -0.033 0.000 2.409 332 V HA 0.418 4.541 4.120 0.006 0.000 0.291 332 V C -0.004 176.119 176.094 0.049 0.000 1.020 332 V CA -0.621 61.676 62.300 -0.005 0.000 0.848 332 V CB 1.345 33.123 31.823 -0.076 0.000 0.990 332 V HN 0.515 nan 8.190 nan 0.000 0.430 333 I N 5.571 126.192 120.570 0.085 0.000 2.377 333 I HA 0.448 4.621 4.170 0.006 0.000 0.293 333 I C -0.698 175.441 176.117 0.037 0.000 0.987 333 I CA -0.677 60.672 61.300 0.083 0.000 1.185 333 I CB 1.769 39.847 38.000 0.129 0.000 1.341 333 I HN 0.405 nan 8.210 nan 0.000 0.455 334 L N 5.938 127.155 121.223 -0.010 0.000 2.329 334 L HA 0.503 4.847 4.340 0.006 0.000 0.279 334 L C -0.634 176.225 176.870 -0.018 0.000 1.014 334 L CA -0.221 54.575 54.840 -0.072 0.000 0.814 334 L CB 1.311 43.231 42.059 -0.232 0.000 1.257 334 L HN 0.368 nan 8.230 nan 0.000 0.424 335 D N 3.947 124.334 120.400 -0.021 0.000 2.382 335 D HA 0.094 4.738 4.640 0.006 0.000 0.259 335 D C -1.228 175.121 176.300 0.080 0.000 1.224 335 D CA 0.590 54.612 54.000 0.036 0.000 0.894 335 D CB 0.207 40.990 40.800 -0.028 0.000 1.127 335 D HN 0.464 nan 8.370 nan 0.000 0.487 336 W N 3.572 124.847 121.300 -0.043 0.000 2.520 336 W HA 0.399 5.063 4.660 0.005 0.000 0.323 336 W C -0.267 176.303 176.519 0.086 0.000 1.062 336 W CA -1.243 56.097 57.345 -0.008 0.000 1.215 336 W CB 1.165 30.652 29.460 0.045 0.000 1.340 336 W HN 0.120 nan 8.180 nan 0.000 0.516 337 V N 5.573 125.328 119.914 -0.265 0.000 2.699 337 V HA 0.360 4.483 4.120 0.006 0.000 0.311 337 V C -1.770 174.136 176.094 -0.313 0.000 1.160 337 V CA -1.263 60.964 62.300 -0.122 0.000 1.313 337 V CB 0.504 32.410 31.823 0.138 0.000 1.553 337 V HN 0.523 nan 8.190 nan 0.000 0.630 338 P HA 0.134 nan 4.420 nan 0.000 0.247 338 P C 1.144 178.326 177.300 -0.196 0.000 1.225 338 P CA 1.190 63.898 63.100 -0.654 0.000 0.768 338 P CB 0.265 31.352 31.700 -1.023 0.000 1.020 339 G N -1.544 107.203 108.800 -0.088 0.000 2.939 339 G HA2 0.028 3.991 3.960 0.006 0.000 0.216 339 G HA3 0.028 3.991 3.960 0.006 0.000 0.216 339 G C -0.204 174.634 174.900 -0.103 0.000 1.125 339 G CA 0.004 45.074 45.100 -0.050 0.000 0.766 339 G HN 0.341 nan 8.290 nan 0.000 0.541 340 H N -0.495 118.698 119.070 0.204 0.000 2.595 340 H HA 0.414 4.973 4.556 0.006 0.000 0.313 340 H C -1.148 174.303 175.328 0.206 0.000 1.023 340 H CA -0.849 55.313 56.048 0.189 0.000 1.218 340 H CB 1.508 31.352 29.762 0.136 0.000 1.403 340 H HN 0.085 nan 8.280 nan 0.000 0.477 341 F N 4.566 124.566 119.950 0.084 0.000 2.471 341 F HA 0.227 4.757 4.527 0.006 0.000 0.353 341 F C -1.945 173.808 175.800 -0.078 0.000 1.113 341 F CA -2.220 55.664 58.000 -0.194 0.000 1.262 341 F CB 0.727 39.496 39.000 -0.385 0.000 1.146 341 F HN 0.394 nan 8.300 nan 0.000 0.578 342 P HA 0.036 nan 4.420 nan 0.000 0.261 342 P C -0.032 177.303 177.300 0.058 0.000 1.203 342 P CA 0.454 63.449 63.100 -0.176 0.000 0.767 342 P CB 0.469 31.958 31.700 -0.352 0.000 0.785 343 T N -1.800 112.797 114.554 0.071 0.000 3.040 343 T HA 0.176 4.530 4.350 0.006 0.000 0.266 343 T C 0.106 174.813 174.700 0.012 0.000 1.005 343 T CA -0.243 61.886 62.100 0.050 0.000 0.906 343 T CB 0.043 68.936 68.868 0.043 0.000 1.082 343 T HN 0.152 nan 8.240 nan 0.000 0.531 344 D N 1.959 122.392 120.400 0.056 0.000 2.342 344 D HA 0.377 5.020 4.640 0.006 0.000 0.243 344 D C -0.416 175.941 176.300 0.096 0.000 1.019 344 D CA -0.338 53.729 54.000 0.111 0.000 0.864 344 D CB 1.446 42.386 40.800 0.234 0.000 1.315 344 D HN -0.048 nan 8.370 nan 0.000 0.468 345 D N 0.035 120.526 120.400 0.153 0.000 3.076 345 D HA -0.232 4.411 4.640 0.006 0.000 0.218 345 D C 0.106 176.587 176.300 0.302 0.000 1.156 345 D CA 0.352 54.471 54.000 0.198 0.000 0.921 345 D CB -1.777 39.084 40.800 0.102 0.000 1.113 345 D HN 0.479 nan 8.370 nan 0.000 0.418 346 F N -1.928 118.055 119.950 0.056 0.000 3.079 346 F HA -0.317 4.213 4.527 0.006 0.000 0.274 346 F C 1.850 177.687 175.800 0.061 0.000 0.940 346 F CA 0.758 58.793 58.000 0.058 0.000 0.932 346 F CB -1.651 37.371 39.000 0.036 0.000 0.891 346 F HN 0.311 nan 8.300 nan 0.000 0.722 347 A N -1.006 121.903 122.820 0.148 0.000 2.014 347 A HA 0.169 4.492 4.320 0.006 0.000 0.218 347 A C 1.892 179.536 177.584 0.100 0.000 1.163 347 A CA 1.862 53.961 52.037 0.103 0.000 0.652 347 A CB -0.018 19.005 19.000 0.039 0.000 0.808 347 A HN 0.505 nan 8.150 nan 0.000 0.449 348 L N -3.420 117.847 121.223 0.073 0.000 3.617 348 L HA 0.483 4.826 4.340 0.006 0.000 0.336 348 L C 0.825 177.826 176.870 0.219 0.000 1.141 348 L CA 0.781 55.630 54.840 0.015 0.000 1.225 348 L CB 0.151 41.968 42.059 -0.403 0.000 1.725 348 L HN 0.210 nan 8.230 nan 0.000 0.621 349 A N 0.163 123.144 122.820 0.267 0.000 2.386 349 A HA 0.383 4.706 4.320 0.006 0.000 0.248 349 A C 0.407 178.140 177.584 0.249 0.000 1.082 349 A CA 0.164 52.367 52.037 0.277 0.000 0.789 349 A CB -0.130 18.934 19.000 0.108 0.000 1.025 349 A HN 0.389 nan 8.150 nan 0.000 0.490 350 E N 0.257 120.574 120.200 0.196 0.000 2.165 350 E HA -0.278 4.076 4.350 0.006 0.000 0.203 350 E C 0.091 176.807 176.600 0.192 0.000 1.335 350 E CA 0.540 57.036 56.400 0.161 0.000 0.708 350 E CB -1.404 28.372 29.700 0.127 0.000 1.105 350 E HN 0.722 nan 8.360 nan 0.000 0.346 351 F N 2.397 122.416 119.950 0.114 0.000 2.027 351 F HA -0.233 4.297 4.527 0.006 0.000 0.297 351 F C 2.001 177.820 175.800 0.030 0.000 1.129 351 F CA 2.429 60.491 58.000 0.103 0.000 1.195 351 F CB 0.135 39.248 39.000 0.189 0.000 0.960 351 F HN 0.215 nan 8.300 nan 0.000 0.485 352 D N -1.330 119.078 120.400 0.014 0.000 2.491 352 D HA 0.260 4.904 4.640 0.006 0.000 0.228 352 D C 1.385 177.644 176.300 -0.068 0.000 1.183 352 D CA 0.520 54.453 54.000 -0.112 0.000 0.827 352 D CB -0.111 40.659 40.800 -0.049 0.000 0.989 352 D HN 0.506 nan 8.370 nan 0.000 0.494 353 G N -1.346 107.432 108.800 -0.037 0.000 2.175 353 G HA2 -0.242 3.721 3.960 0.006 0.000 0.244 353 G HA3 -0.242 3.721 3.960 0.006 0.000 0.244 353 G C 0.383 175.283 174.900 -0.000 0.000 0.982 353 G CA 0.344 45.433 45.100 -0.019 0.000 0.641 353 G HN 0.697 nan 8.290 nan 0.000 0.527 354 T N -0.782 113.775 114.554 0.005 0.000 2.883 354 T HA 0.525 4.878 4.350 0.006 0.000 0.284 354 T C 0.216 174.926 174.700 0.016 0.000 1.041 354 T CA -0.117 61.983 62.100 -0.001 0.000 1.007 354 T CB 0.821 69.674 68.868 -0.025 0.000 1.220 354 T HN 0.170 nan 8.240 nan 0.000 0.552 355 N N 2.432 121.126 118.700 -0.010 0.000 3.178 355 N HA 0.189 4.933 4.740 0.006 0.000 0.300 355 N C 1.397 176.894 175.510 -0.022 0.000 1.242 355 N CA -0.285 52.754 53.050 -0.018 0.000 1.192 355 N CB 0.102 38.553 38.487 -0.059 0.000 1.463 355 N HN 0.397 nan 8.380 nan 0.000 0.539 356 L N 0.121 121.358 121.223 0.023 0.000 1.955 356 L HA -0.234 4.109 4.340 0.006 0.000 0.213 356 L C 1.150 178.001 176.870 -0.033 0.000 1.072 356 L CA 1.928 56.732 54.840 -0.060 0.000 0.755 356 L CB -0.181 41.835 42.059 -0.071 0.000 0.888 356 L HN 0.516 nan 8.230 nan 0.000 0.432 357 Y N -0.628 119.739 120.300 0.111 0.000 2.476 357 Y HA -0.066 4.487 4.550 0.006 0.000 0.283 357 Y C 2.076 178.050 175.900 0.124 0.000 1.109 357 Y CA 0.044 58.259 58.100 0.191 0.000 1.246 357 Y CB 0.192 38.795 38.460 0.238 0.000 1.068 357 Y HN 0.357 nan 8.280 nan 0.000 0.552 358 E N -0.438 119.792 120.200 0.050 0.000 3.400 358 E HA 0.181 4.535 4.350 0.006 0.000 0.416 358 E C -0.547 175.952 176.600 -0.167 0.000 0.439 358 E CA -0.021 56.209 56.400 -0.283 0.000 2.569 358 E CB 0.083 29.322 29.700 -0.769 0.000 2.190 358 E HN 0.148 nan 8.360 nan 0.000 0.497 359 H N -1.154 117.781 119.070 -0.225 0.000 2.985 359 H HA 0.323 4.883 4.556 0.006 0.000 0.360 359 H C -0.133 175.130 175.328 -0.108 0.000 1.221 359 H CA -0.664 55.309 56.048 -0.126 0.000 1.121 359 H CB 2.110 31.806 29.762 -0.109 0.000 1.854 359 H HN 0.397 nan 8.280 nan 0.000 0.551 373 L N 4.226 125.366 121.223 -0.138 0.000 2.385 373 L HA 0.549 4.893 4.340 0.006 0.000 0.281 373 L C -0.055 176.629 176.870 -0.311 0.000 1.106 373 L CA -0.299 54.351 54.840 -0.316 0.000 0.856 373 L CB 0.284 42.108 42.059 -0.390 0.000 1.186 373 L HN 0.386 nan 8.230 nan 0.000 0.453 374 I N -0.319 120.051 120.570 -0.333 0.000 2.569 374 I HA 0.415 4.588 4.170 0.006 0.000 0.296 374 I C -0.585 175.405 176.117 -0.213 0.000 1.028 374 I CA -1.033 60.165 61.300 -0.170 0.000 1.082 374 I CB 1.462 39.423 38.000 -0.063 0.000 1.264 374 I HN 0.276 nan 8.210 nan 0.000 0.429 375 Y N 2.714 122.920 120.300 -0.157 0.000 2.652 375 Y HA -0.056 4.497 4.550 0.006 0.000 0.344 375 Y C 1.139 176.820 175.900 -0.365 0.000 1.254 375 Y CA 0.556 58.461 58.100 -0.325 0.000 1.480 375 Y CB 0.316 38.173 38.460 -1.005 0.000 1.345 375 Y HN 0.647 nan 8.280 nan 0.000 0.617 376 N N 2.743 121.479 118.700 0.060 0.000 3.229 376 N HA 0.045 4.788 4.740 0.006 0.000 0.275 376 N C -0.248 175.307 175.510 0.074 0.000 1.225 376 N CA -0.224 52.907 53.050 0.135 0.000 1.119 376 N CB -0.100 38.354 38.487 -0.055 0.000 1.392 376 N HN 0.634 nan 8.380 nan 0.000 0.520 377 Y N 0.085 120.474 120.300 0.150 0.000 2.716 377 Y HA -0.012 4.541 4.550 0.006 0.000 0.302 377 Y C 2.204 178.175 175.900 0.118 0.000 1.160 377 Y CA 0.528 58.627 58.100 -0.001 0.000 1.362 377 Y CB 0.163 38.519 38.460 -0.174 0.000 0.988 377 Y HN 0.474 nan 8.280 nan 0.000 0.546 378 G N -0.314 108.641 108.800 0.257 0.000 2.662 378 G HA2 -0.025 3.938 3.960 0.006 0.000 0.212 378 G HA3 -0.025 3.938 3.960 0.006 0.000 0.212 378 G C 0.688 175.671 174.900 0.137 0.000 1.141 378 G CA -0.424 44.794 45.100 0.198 0.000 0.797 378 G HN 0.157 nan 8.290 nan 0.000 0.531 379 R N 0.620 121.189 120.500 0.114 0.000 2.594 379 R HA 0.297 4.640 4.340 0.006 0.000 0.272 379 R C 1.789 178.128 176.300 0.066 0.000 1.074 379 R CA -0.463 55.683 56.100 0.076 0.000 1.105 379 R CB 0.596 30.936 30.300 0.066 0.000 1.008 379 R HN 0.182 nan 8.270 nan 0.000 0.472 380 R N 2.251 122.764 120.500 0.022 0.000 2.096 380 R HA -0.204 4.140 4.340 0.006 0.000 0.229 380 R C 1.207 177.464 176.300 -0.072 0.000 1.134 380 R CA 2.352 58.442 56.100 -0.017 0.000 0.917 380 R CB -0.148 30.120 30.300 -0.054 0.000 0.832 380 R HN 0.698 nan 8.270 nan 0.000 0.430 381 E N 0.005 120.049 120.200 -0.260 0.000 2.110 381 E HA -0.128 4.225 4.350 0.006 0.000 0.193 381 E C 1.962 178.423 176.600 -0.232 0.000 0.988 381 E CA 1.228 57.330 56.400 -0.497 0.000 0.804 381 E CB -0.112 28.693 29.700 -1.492 0.000 0.745 381 E HN 0.157 nan 8.360 nan 0.000 0.458 382 V N 0.345 120.185 119.914 -0.123 0.000 2.287 382 V HA -0.294 3.829 4.120 0.006 0.000 0.248 382 V C 2.349 178.618 176.094 0.292 0.000 1.053 382 V CA 2.028 64.413 62.300 0.141 0.000 1.027 382 V CB -0.604 31.316 31.823 0.162 0.000 0.646 382 V HN 0.302 nan 8.190 nan 0.000 0.447 383 S N -0.220 115.623 115.700 0.238 0.000 2.356 383 S HA -0.239 4.234 4.470 0.006 0.000 0.223 383 S C 1.813 176.643 174.600 0.384 0.000 1.032 383 S CA 2.174 60.594 58.200 0.366 0.000 1.005 383 S CB -0.608 62.801 63.200 0.349 0.000 0.867 383 S HN 0.741 nan 8.310 nan 0.000 0.449 384 N N -0.182 118.680 118.700 0.270 0.000 2.060 384 N HA -0.191 4.553 4.740 0.006 0.000 0.195 384 N C 1.529 177.282 175.510 0.406 0.000 1.028 384 N CA 1.770 54.985 53.050 0.275 0.000 0.861 384 N CB -0.379 38.215 38.487 0.178 0.000 1.029 384 N HN 0.434 nan 8.380 nan 0.000 0.428 385 F N 1.704 121.829 119.950 0.291 0.000 2.065 385 F HA -0.180 4.350 4.527 0.005 0.000 0.298 385 F C 1.862 177.884 175.800 0.370 0.000 1.112 385 F CA 1.466 59.692 58.000 0.376 0.000 1.212 385 F CB -0.385 38.829 39.000 0.356 0.000 0.975 385 F HN -0.030 nan 8.300 nan 0.000 0.476 386 L N -0.858 120.557 121.223 0.321 0.000 2.072 386 L HA -0.161 4.183 4.340 0.006 0.000 0.205 386 L C 2.306 179.484 176.870 0.513 0.000 1.079 386 L CA 0.816 55.819 54.840 0.271 0.000 0.752 386 L CB -0.800 41.421 42.059 0.270 0.000 0.906 386 L HN 0.004 nan 8.230 nan 0.000 0.436 387 V N 0.258 120.464 119.914 0.486 0.000 2.407 387 V HA -0.183 3.940 4.120 0.006 0.000 0.248 387 V C 2.670 178.941 176.094 0.294 0.000 1.055 387 V CA 1.877 64.383 62.300 0.343 0.000 1.049 387 V CB -1.457 30.510 31.823 0.240 0.000 0.662 387 V HN 0.558 nan 8.190 nan 0.000 0.455 388 G N 0.054 109.074 108.800 0.367 0.000 2.476 388 G HA2 -0.384 3.579 3.960 0.006 0.000 0.218 388 G HA3 -0.384 3.579 3.960 0.006 0.000 0.218 388 G C 1.510 176.647 174.900 0.395 0.000 1.164 388 G CA 1.209 46.630 45.100 0.533 0.000 0.768 388 G HN 0.547 nan 8.290 nan 0.000 0.560 389 N N 0.887 119.653 118.700 0.111 0.000 2.061 389 N HA -0.162 4.581 4.740 0.006 0.000 0.193 389 N C 2.581 178.002 175.510 -0.147 0.000 1.030 389 N CA 1.345 54.188 53.050 -0.345 0.000 0.856 389 N CB -0.174 38.114 38.487 -0.332 0.000 1.023 389 N HN 0.289 nan 8.380 nan 0.000 0.424 390 A N 1.305 124.060 122.820 -0.109 0.000 1.865 390 A HA -0.135 4.188 4.320 0.006 0.000 0.217 390 A C 2.127 179.643 177.584 -0.113 0.000 1.191 390 A CA 1.012 52.801 52.037 -0.413 0.000 0.623 390 A CB -0.807 17.800 19.000 -0.656 0.000 0.826 390 A HN 0.262 nan 8.150 nan 0.000 0.444 391 L N -1.603 119.636 121.223 0.027 0.000 2.042 391 L HA -0.180 4.164 4.340 0.006 0.000 0.210 391 L C 2.369 179.293 176.870 0.089 0.000 1.076 391 L CA 2.108 57.023 54.840 0.125 0.000 0.749 391 L CB -1.364 40.878 42.059 0.305 0.000 0.893 391 L HN 0.631 nan 8.230 nan 0.000 0.432 392 Y N -1.175 118.965 120.300 -0.267 0.000 2.070 392 Y HA -0.308 4.245 4.550 0.006 0.000 0.280 392 Y C 2.353 178.134 175.900 -0.198 0.000 1.148 392 Y CA 1.706 59.444 58.100 -0.605 0.000 1.125 392 Y CB -0.810 37.078 38.460 -0.953 0.000 0.975 392 Y HN 0.157 nan 8.280 nan 0.000 0.492 393 W N 0.419 121.702 121.300 -0.028 0.000 2.318 393 W HA -0.262 4.402 4.660 0.006 0.000 0.313 393 W C 2.401 178.915 176.519 -0.008 0.000 1.221 393 W CA 1.426 58.740 57.345 -0.052 0.000 1.266 393 W CB -0.494 28.896 29.460 -0.117 0.000 1.150 393 W HN 0.091 nan 8.180 nan 0.000 0.496 394 I N -0.257 120.415 120.570 0.169 0.000 2.286 394 I HA -0.227 3.947 4.170 0.006 0.000 0.245 394 I C 2.218 178.367 176.117 0.053 0.000 1.104 394 I CA 1.437 62.787 61.300 0.083 0.000 1.397 394 I CB -0.490 37.518 38.000 0.013 0.000 1.072 394 I HN 0.032 nan 8.210 nan 0.000 0.417 395 E N 0.189 120.408 120.200 0.031 0.000 2.122 395 E HA -0.026 4.327 4.350 0.006 0.000 0.190 395 E C 1.951 178.517 176.600 -0.057 0.000 0.977 395 E CA 0.473 56.879 56.400 0.009 0.000 0.820 395 E CB 0.241 29.981 29.700 0.068 0.000 0.770 395 E HN 0.314 nan 8.360 nan 0.000 0.462 396 R N -0.679 119.733 120.500 -0.147 0.000 2.308 396 R HA 0.134 4.478 4.340 0.006 0.000 0.202 396 R C 0.883 176.853 176.300 -0.550 0.000 0.898 396 R CA 0.345 56.227 56.100 -0.364 0.000 1.046 396 R CB 0.311 30.266 30.300 -0.575 0.000 1.026 396 R HN 0.181 nan 8.270 nan 0.000 0.512 397 F N -0.884 118.990 119.950 -0.127 0.000 2.784 397 F HA 0.271 4.801 4.527 0.005 0.000 0.323 397 F C 1.329 177.105 175.800 -0.040 0.000 1.085 397 F CA 0.341 58.307 58.000 -0.056 0.000 1.196 397 F CB 0.787 39.840 39.000 0.088 0.000 1.053 397 F HN 0.134 nan 8.300 nan 0.000 0.578 398 G N 1.564 110.446 108.800 0.135 0.000 2.153 398 G HA2 -0.277 3.686 3.960 0.006 0.000 0.252 398 G HA3 -0.277 3.686 3.960 0.006 0.000 0.252 398 G C 0.295 175.311 174.900 0.192 0.000 0.994 398 G CA -0.214 44.972 45.100 0.143 0.000 0.698 398 G HN 0.122 nan 8.290 nan 0.000 0.521 399 I N 1.075 121.739 120.570 0.157 0.000 2.880 399 I HA 0.019 4.193 4.170 0.006 0.000 0.296 399 I C 1.102 177.254 176.117 0.058 0.000 1.220 399 I CA 0.425 61.784 61.300 0.099 0.000 1.435 399 I CB 0.467 38.523 38.000 0.093 0.000 1.339 399 I HN 0.181 nan 8.210 nan 0.000 0.583 400 D N 4.182 124.606 120.400 0.040 0.000 2.392 400 D HA 0.289 4.933 4.640 0.006 0.000 0.206 400 D C 0.386 176.660 176.300 -0.044 0.000 1.046 400 D CA 0.488 54.480 54.000 -0.015 0.000 0.865 400 D CB 1.071 41.856 40.800 -0.023 0.000 0.969 400 D HN 0.610 nan 8.370 nan 0.000 0.509 401 A N 0.362 123.168 122.820 -0.023 0.000 2.608 401 A HA 0.633 4.956 4.320 0.006 0.000 0.292 401 A C -1.802 175.770 177.584 -0.020 0.000 1.066 401 A CA -0.605 51.410 52.037 -0.037 0.000 0.676 401 A CB 0.988 20.000 19.000 0.020 0.000 1.277 401 A HN 0.033 nan 8.150 nan 0.000 0.413 402 L N 0.895 122.114 121.223 -0.007 0.000 2.370 402 L HA 0.719 5.063 4.340 0.006 0.000 0.266 402 L C 0.141 177.106 176.870 0.159 0.000 1.002 402 L CA -0.680 54.184 54.840 0.040 0.000 0.818 402 L CB 2.133 44.154 42.059 -0.063 0.000 1.325 402 L HN 0.785 nan 8.230 nan 0.000 0.418 403 R N 1.872 122.480 120.500 0.180 0.000 2.393 403 R HA 0.601 4.944 4.340 0.006 0.000 0.315 403 R C -1.654 174.751 176.300 0.175 0.000 0.952 403 R CA -0.532 55.655 56.100 0.146 0.000 0.842 403 R CB 1.896 32.250 30.300 0.090 0.000 1.163 403 R HN 0.435 nan 8.270 nan 0.000 0.450 404 V N 5.752 125.747 119.914 0.135 0.000 2.383 404 V HA 0.114 4.237 4.120 0.006 0.000 0.275 404 V C 0.435 176.485 176.094 -0.074 0.000 1.036 404 V CA -0.634 61.739 62.300 0.122 0.000 0.889 404 V CB 1.195 33.163 31.823 0.241 0.000 0.985 404 V HN 0.803 nan 8.190 nan 0.000 0.459 405 D N 4.387 124.787 120.400 -0.000 0.000 2.432 405 D HA 0.412 5.055 4.640 0.006 0.000 0.258 405 D C 0.559 176.832 176.300 -0.046 0.000 1.146 405 D CA 0.039 53.998 54.000 -0.068 0.000 1.015 405 D CB 1.644 42.492 40.800 0.080 0.000 1.107 405 D HN 0.944 nan 8.370 nan 0.000 0.529 406 A N 0.032 122.818 122.820 -0.057 0.000 2.364 406 A HA -0.136 4.187 4.320 0.006 0.000 0.288 406 A C 1.298 178.855 177.584 -0.045 0.000 1.433 406 A CA 0.788 52.808 52.037 -0.027 0.000 0.757 406 A CB -1.974 17.039 19.000 0.021 0.000 1.098 406 A HN 0.449 nan 8.150 nan 0.000 0.380 407 V N -0.194 119.688 119.914 -0.054 0.000 2.427 407 V HA -0.207 3.917 4.120 0.006 0.000 0.248 407 V C 2.885 178.976 176.094 -0.005 0.000 1.051 407 V CA 2.555 64.828 62.300 -0.046 0.000 1.048 407 V CB -0.923 30.852 31.823 -0.081 0.000 0.666 407 V HN 1.180 nan 8.190 nan 0.000 0.456 408 A N 0.854 123.703 122.820 0.048 0.000 1.940 408 A HA -0.231 4.092 4.320 0.006 0.000 0.219 408 A C 2.466 180.171 177.584 0.201 0.000 1.176 408 A CA 2.339 54.476 52.037 0.167 0.000 0.631 408 A CB -0.675 18.405 19.000 0.132 0.000 0.814 408 A HN 0.704 nan 8.150 nan 0.000 0.446 409 S N -1.220 114.533 115.700 0.088 0.000 2.522 409 S HA 0.043 4.517 4.470 0.006 0.000 0.227 409 S C 1.775 176.405 174.600 0.050 0.000 0.986 409 S CA 1.141 59.388 58.200 0.078 0.000 0.929 409 S CB -0.404 62.818 63.200 0.037 0.000 0.769 409 S HN 0.518 nan 8.310 nan 0.000 0.529 410 M N 1.375 120.980 119.600 0.007 0.000 2.388 410 M HA 0.272 4.756 4.480 0.006 0.000 0.265 410 M C 1.847 178.110 176.300 -0.063 0.000 1.088 410 M CA 1.038 56.325 55.300 -0.023 0.000 1.134 410 M CB -0.262 32.286 32.600 -0.086 0.000 1.384 410 M HN 0.500 nan 8.290 nan 0.000 0.447 411 I N -3.144 117.368 120.570 -0.097 0.000 3.928 411 I HA 0.194 4.368 4.170 0.006 0.000 0.335 411 I C -0.565 175.259 176.117 -0.489 0.000 1.325 411 I CA -0.191 60.935 61.300 -0.290 0.000 1.107 411 I CB -0.070 37.664 38.000 -0.443 0.000 1.014 411 I HN -0.019 nan 8.210 nan 0.000 0.400 412 Y N 0.895 121.185 120.300 -0.018 0.000 2.602 412 Y HA 0.717 5.271 4.550 0.006 0.000 0.342 412 Y C 0.425 176.324 175.900 -0.001 0.000 1.029 412 Y CA -0.772 57.330 58.100 0.002 0.000 1.080 412 Y CB 1.066 39.533 38.460 0.012 0.000 1.284 412 Y HN 0.056 nan 8.280 nan 0.000 0.485 429 G N 0.644 109.468 108.800 0.040 0.000 2.568 429 G HA2 -0.207 3.756 3.960 0.006 0.000 0.222 429 G HA3 -0.207 3.756 3.960 0.006 0.000 0.222 429 G C 0.851 175.795 174.900 0.072 0.000 1.321 429 G CA 0.073 45.207 45.100 0.058 0.000 0.893 429 G HN 0.436 nan 8.290 nan 0.000 0.569 430 R N 1.288 121.861 120.500 0.122 0.000 2.189 430 R HA 0.043 4.387 4.340 0.006 0.000 0.218 430 R C 1.076 177.426 176.300 0.084 0.000 1.074 430 R CA 1.095 57.309 56.100 0.190 0.000 0.991 430 R CB -0.347 30.204 30.300 0.419 0.000 0.883 430 R HN 0.742 nan 8.270 nan 0.000 0.457 431 E N 1.844 122.021 120.200 -0.038 0.000 2.373 431 E HA -0.016 4.338 4.350 0.006 0.000 0.267 431 E C -0.044 176.483 176.600 -0.122 0.000 1.032 431 E CA -0.184 56.092 56.400 -0.207 0.000 0.889 431 E CB 0.446 30.071 29.700 -0.125 0.000 0.984 431 E HN -0.110 nan 8.360 nan 0.000 0.425 432 N N 3.787 122.390 118.700 -0.161 0.000 2.521 432 N HA 0.046 4.789 4.740 0.006 0.000 0.236 432 N C 0.822 176.298 175.510 -0.057 0.000 1.067 432 N CA -0.084 52.919 53.050 -0.077 0.000 0.939 432 N CB 0.286 38.739 38.487 -0.057 0.000 1.201 432 N HN 0.497 nan 8.380 nan 0.000 0.511 433 L N 1.625 122.837 121.223 -0.018 0.000 2.043 433 L HA -0.177 4.167 4.340 0.006 0.000 0.212 433 L C 2.103 178.990 176.870 0.028 0.000 1.075 433 L CA 1.413 56.256 54.840 0.005 0.000 0.752 433 L CB -0.313 41.760 42.059 0.024 0.000 0.891 433 L HN 0.624 nan 8.230 nan 0.000 0.432 434 E N 0.875 121.111 120.200 0.060 0.000 2.285 434 E HA -0.129 4.225 4.350 0.006 0.000 0.194 434 E C 2.123 178.793 176.600 0.118 0.000 0.997 434 E CA 0.881 57.350 56.400 0.115 0.000 0.845 434 E CB 0.127 29.927 29.700 0.165 0.000 0.782 434 E HN 0.406 nan 8.360 nan 0.000 0.491 435 A N 1.481 124.322 122.820 0.035 0.000 1.929 435 A HA -0.017 4.307 4.320 0.006 0.000 0.216 435 A C 2.162 179.684 177.584 -0.102 0.000 1.176 435 A CA 0.785 52.734 52.037 -0.148 0.000 0.628 435 A CB -0.449 18.439 19.000 -0.187 0.000 0.816 435 A HN 0.306 nan 8.150 nan 0.000 0.444 436 I N -0.633 119.889 120.570 -0.080 0.000 2.394 436 I HA -0.198 3.975 4.170 0.006 0.000 0.251 436 I C 2.499 178.598 176.117 -0.030 0.000 1.136 436 I CA 1.574 62.822 61.300 -0.086 0.000 1.425 436 I CB -0.152 37.794 38.000 -0.091 0.000 1.079 436 I HN 0.323 nan 8.210 nan 0.000 0.425 437 E N 1.113 121.325 120.200 0.019 0.000 2.072 437 E HA -0.230 4.123 4.350 0.006 0.000 0.190 437 E C 1.974 178.602 176.600 0.046 0.000 0.982 437 E CA 1.208 57.629 56.400 0.036 0.000 0.803 437 E CB -0.378 29.363 29.700 0.068 0.000 0.755 437 E HN 0.396 nan 8.360 nan 0.000 0.453 438 F N 0.674 120.595 119.950 -0.050 0.000 2.120 438 F HA -0.180 4.350 4.527 0.006 0.000 0.300 438 F C 1.732 177.495 175.800 -0.061 0.000 1.095 438 F CA 1.539 59.516 58.000 -0.038 0.000 1.249 438 F CB -0.248 38.692 39.000 -0.099 0.000 0.995 438 F HN 0.047 nan 8.300 nan 0.000 0.480 439 L N -0.031 121.084 121.223 -0.180 0.000 2.056 439 L HA -0.151 4.193 4.340 0.006 0.000 0.207 439 L C 2.703 179.379 176.870 -0.323 0.000 1.078 439 L CA 1.212 55.881 54.840 -0.284 0.000 0.749 439 L CB -0.659 41.344 42.059 -0.093 0.000 0.901 439 L HN 0.041 nan 8.230 nan 0.000 0.433 440 R N -0.129 120.244 120.500 -0.211 0.000 2.073 440 R HA -0.185 4.158 4.340 0.006 0.000 0.234 440 R C 2.089 178.281 176.300 -0.181 0.000 1.134 440 R CA 1.795 57.786 56.100 -0.182 0.000 0.952 440 R CB -0.613 29.627 30.300 -0.100 0.000 0.850 440 R HN 0.321 nan 8.270 nan 0.000 0.433 441 N N 0.039 118.640 118.700 -0.166 0.000 2.025 441 N HA -0.139 4.605 4.740 0.006 0.000 0.194 441 N C 1.585 176.991 175.510 -0.173 0.000 1.044 441 N CA 2.234 55.203 53.050 -0.134 0.000 0.851 441 N CB -0.406 38.026 38.487 -0.092 0.000 1.036 441 N HN 0.057 nan 8.380 nan 0.000 0.422 442 T N 0.993 115.361 114.554 -0.310 0.000 2.624 442 T HA -0.172 4.181 4.350 0.006 0.000 0.268 442 T C 1.594 176.206 174.700 -0.148 0.000 1.041 442 T CA 1.421 63.357 62.100 -0.274 0.000 1.159 442 T CB -0.521 68.076 68.868 -0.452 0.000 0.863 442 T HN 0.294 nan 8.240 nan 0.000 0.434 443 N N 0.619 119.208 118.700 -0.185 0.000 2.069 443 N HA -0.089 4.655 4.740 0.006 0.000 0.191 443 N C 2.037 177.541 175.510 -0.010 0.000 1.031 443 N CA 1.034 54.035 53.050 -0.081 0.000 0.852 443 N CB -0.364 37.979 38.487 -0.241 0.000 1.018 443 N HN 0.372 nan 8.380 nan 0.000 0.423 444 R N 0.770 121.224 120.500 -0.076 0.000 2.103 444 R HA -0.060 4.284 4.340 0.006 0.000 0.242 444 R C 2.217 178.521 176.300 0.006 0.000 1.142 444 R CA 1.128 57.203 56.100 -0.041 0.000 0.960 444 R CB -0.222 30.044 30.300 -0.057 0.000 0.858 444 R HN 0.217 nan 8.270 nan 0.000 0.439 445 I N 0.508 121.077 120.570 -0.003 0.000 2.286 445 I HA -0.264 3.909 4.170 0.006 0.000 0.245 445 I C 2.180 178.318 176.117 0.034 0.000 1.104 445 I CA 0.831 62.140 61.300 0.015 0.000 1.397 445 I CB -0.123 37.884 38.000 0.012 0.000 1.072 445 I HN 0.205 nan 8.210 nan 0.000 0.417 446 L N 0.405 121.650 121.223 0.038 0.000 2.012 446 L HA -0.184 4.159 4.340 0.006 0.000 0.210 446 L C 2.606 179.528 176.870 0.086 0.000 1.073 446 L CA 1.763 56.627 54.840 0.040 0.000 0.748 446 L CB -1.218 40.853 42.059 0.021 0.000 0.891 446 L HN 0.337 nan 8.230 nan 0.000 0.431 447 G N -0.939 107.975 108.800 0.189 0.000 2.498 447 G HA2 -0.186 3.777 3.960 0.006 0.000 0.219 447 G HA3 -0.186 3.777 3.960 0.006 0.000 0.219 447 G C 1.430 176.401 174.900 0.117 0.000 1.119 447 G CA 0.486 45.733 45.100 0.246 0.000 0.766 447 G HN 0.451 nan 8.290 nan 0.000 0.552 448 E N -0.715 119.527 120.200 0.070 0.000 2.162 448 E HA 0.006 4.360 4.350 0.006 0.000 0.193 448 E C 2.577 179.196 176.600 0.032 0.000 0.953 448 E CA 0.239 56.664 56.400 0.042 0.000 0.849 448 E CB 0.069 29.786 29.700 0.028 0.000 0.810 448 E HN 0.210 nan 8.360 nan 0.000 0.470 449 Q N 0.233 120.052 119.800 0.032 0.000 2.061 449 Q HA -0.021 4.323 4.340 0.006 0.000 0.195 449 Q C 1.587 177.596 176.000 0.015 0.000 0.967 449 Q CA 1.125 56.943 55.803 0.024 0.000 0.829 449 Q CB 0.345 29.103 28.738 0.033 0.000 0.900 449 Q HN 0.227 nan 8.270 nan 0.000 0.450 450 V N -0.065 119.854 119.914 0.009 0.000 2.699 450 V HA 0.342 4.465 4.120 0.006 0.000 0.311 450 V C 0.146 176.221 176.094 -0.032 0.000 1.160 450 V CA -0.741 61.550 62.300 -0.015 0.000 1.313 450 V CB -0.024 31.784 31.823 -0.026 0.000 1.553 450 V HN 0.151 nan 8.190 nan 0.000 0.630 451 S N 0.847 116.544 115.700 -0.006 0.000 2.596 451 S HA 0.508 4.981 4.470 0.006 0.000 0.298 451 S C 1.308 175.882 174.600 -0.043 0.000 1.255 451 S CA 0.903 59.104 58.200 0.002 0.000 1.083 451 S CB 0.485 63.700 63.200 0.026 0.000 0.837 451 S HN 2.130 nan 8.310 nan 0.000 0.499 452 G N 2.266 111.014 108.800 -0.087 0.000 2.905 452 G HA2 0.135 4.098 3.960 0.006 0.000 0.196 452 G HA3 0.135 4.098 3.960 0.006 0.000 0.196 452 G C 0.218 175.002 174.900 -0.194 0.000 1.044 452 G CA -0.147 44.883 45.100 -0.118 0.000 0.778 452 G HN 1.577 nan 8.290 nan 0.000 0.474 453 A N 0.413 123.100 122.820 -0.221 0.000 2.351 453 A HA 0.837 5.160 4.320 0.006 0.000 0.257 453 A C 0.526 177.769 177.584 -0.567 0.000 1.087 453 A CA 0.451 52.320 52.037 -0.280 0.000 0.798 453 A CB 0.881 19.760 19.000 -0.202 0.000 1.033 453 A HN 1.922 nan 8.150 nan 0.000 0.488 454 V N -0.924 118.641 119.914 -0.582 0.000 3.102 454 V HA 0.949 5.073 4.120 0.006 0.000 0.312 454 V C -0.186 175.664 176.094 -0.406 0.000 1.135 454 V CA -0.051 61.649 62.300 -1.000 0.000 1.022 454 V CB 1.545 32.874 31.823 -0.823 0.000 1.056 454 V HN 1.389 nan 8.190 nan 0.000 0.436 455 T N 0.268 114.744 114.554 -0.132 0.000 2.893 455 T HA 0.830 5.184 4.350 0.006 0.000 0.291 455 T C -0.635 174.414 174.700 0.582 0.000 1.028 455 T CA -0.765 61.525 62.100 0.317 0.000 0.995 455 T CB 1.733 70.879 68.868 0.462 0.000 1.051 455 T HN 0.884 nan 8.240 nan 0.000 0.470 456 M N 1.583 121.449 119.600 0.443 0.000 2.619 456 M HA 0.794 5.277 4.480 0.006 0.000 0.297 456 M C -0.783 175.456 176.300 -0.102 0.000 1.229 456 M CA -1.156 54.328 55.300 0.307 0.000 0.860 456 M CB 2.611 35.391 32.600 0.300 0.000 1.741 456 M HN 0.936 nan 8.290 nan 0.000 0.462 457 A N 1.201 123.782 122.820 -0.397 0.000 2.449 457 A HA 0.690 5.013 4.320 0.006 0.000 0.302 457 A C -1.387 175.914 177.584 -0.471 0.000 1.048 457 A CA -0.584 51.025 52.037 -0.714 0.000 0.708 457 A CB 1.914 20.006 19.000 -1.513 0.000 1.274 457 A HN 0.777 nan 8.150 nan 0.000 0.410 458 E N 1.980 121.879 120.200 -0.501 0.000 2.113 458 E HA 0.351 4.704 4.350 0.006 0.000 0.273 458 E C -1.333 175.179 176.600 -0.146 0.000 0.924 458 E CA -0.168 56.038 56.400 -0.323 0.000 0.764 458 E CB 1.169 30.546 29.700 -0.539 0.000 1.104 458 E HN 0.631 nan 8.360 nan 0.000 0.406 459 E N 3.034 123.228 120.200 -0.009 0.000 2.260 459 E HA 0.123 4.476 4.350 0.006 0.000 0.266 459 E C -0.178 176.491 176.600 0.115 0.000 0.887 459 E CA -0.170 56.254 56.400 0.039 0.000 0.777 459 E CB 1.576 31.302 29.700 0.043 0.000 1.205 459 E HN 0.504 nan 8.360 nan 0.000 0.414 460 S N 1.771 117.532 115.700 0.103 0.000 2.548 460 S HA 0.028 4.502 4.470 0.006 0.000 0.215 460 S C 0.915 175.576 174.600 0.102 0.000 0.976 460 S CA 0.555 58.822 58.200 0.112 0.000 0.908 460 S CB -0.126 63.124 63.200 0.084 0.000 0.781 460 S HN 0.520 nan 8.310 nan 0.000 0.519 461 T N -0.922 113.702 114.554 0.116 0.000 2.910 461 T HA 0.446 4.799 4.350 0.006 0.000 0.279 461 T C -0.448 174.353 174.700 0.168 0.000 0.989 461 T CA -0.698 61.468 62.100 0.109 0.000 0.968 461 T CB 0.827 69.747 68.868 0.086 0.000 1.135 461 T HN -0.040 nan 8.240 nan 0.000 0.562 462 D N 0.699 121.186 120.400 0.146 0.000 3.072 462 D HA 0.206 4.849 4.640 0.006 0.000 0.250 462 D C -0.553 175.854 176.300 0.177 0.000 1.304 462 D CA -0.217 53.872 54.000 0.148 0.000 0.861 462 D CB -0.653 40.196 40.800 0.082 0.000 1.062 462 D HN 0.452 nan 8.370 nan 0.000 0.481 463 F N 2.870 122.893 119.950 0.121 0.000 2.578 463 F HA 0.137 4.667 4.527 0.006 0.000 0.381 463 F C -1.898 173.958 175.800 0.092 0.000 1.069 463 F CA -1.361 56.713 58.000 0.123 0.000 1.231 463 F CB 0.640 39.729 39.000 0.149 0.000 1.086 463 F HN -0.025 nan 8.300 nan 0.000 0.564 464 P HA 0.275 nan 4.420 nan 0.000 0.284 464 P C -0.061 177.235 177.300 -0.006 0.000 1.253 464 P CA 0.052 63.059 63.100 -0.154 0.000 0.800 464 P CB 1.235 32.794 31.700 -0.236 0.000 0.961 465 G N 1.625 110.456 108.800 0.052 0.000 2.246 465 G HA2 -0.256 3.707 3.960 0.006 0.000 0.273 465 G HA3 -0.256 3.707 3.960 0.006 0.000 0.273 465 G C 0.769 175.761 174.900 0.154 0.000 1.055 465 G CA 0.111 45.245 45.100 0.057 0.000 0.851 465 G HN 0.368 nan 8.290 nan 0.000 0.500 466 V N 0.625 120.669 119.914 0.217 0.000 2.287 466 V HA -0.157 3.966 4.120 0.006 0.000 0.248 466 V C 2.460 178.705 176.094 0.252 0.000 1.053 466 V CA 2.787 65.250 62.300 0.273 0.000 1.027 466 V CB -0.281 31.661 31.823 0.199 0.000 0.646 466 V HN 1.262 nan 8.190 nan 0.000 0.447 467 S N 0.258 116.009 115.700 0.086 0.000 2.596 467 S HA 0.339 4.812 4.470 0.006 0.000 0.248 467 S C 0.235 174.760 174.600 -0.125 0.000 1.162 467 S CA -0.550 57.655 58.200 0.008 0.000 1.185 467 S CB -0.137 63.004 63.200 -0.098 0.000 0.833 467 S HN 0.319 nan 8.310 nan 0.000 0.472 468 R N 1.843 122.296 120.500 -0.079 0.000 2.807 468 R HA 0.587 4.931 4.340 0.006 0.000 0.276 468 R C -3.158 173.064 176.300 -0.129 0.000 0.979 468 R CA -2.477 53.548 56.100 -0.126 0.000 0.928 468 R CB 0.813 31.060 30.300 -0.088 0.000 1.191 468 R HN 0.165 nan 8.270 nan 0.000 0.471 469 P HA 0.005 nan 4.420 nan 0.000 0.266 469 P C -0.081 177.156 177.300 -0.106 0.000 1.195 469 P CA 0.122 63.128 63.100 -0.158 0.000 0.768 469 P CB 0.733 32.348 31.700 -0.140 0.000 0.838 470 Q N 1.931 121.665 119.800 -0.111 0.000 2.096 470 Q HA -0.199 4.144 4.340 0.006 0.000 0.204 470 Q C 1.559 177.529 176.000 -0.049 0.000 0.982 470 Q CA 2.218 57.976 55.803 -0.074 0.000 0.850 470 Q CB -0.674 28.013 28.738 -0.086 0.000 0.901 470 Q HN 0.607 nan 8.270 nan 0.000 0.422 471 D N -1.175 119.192 120.400 -0.055 0.000 2.403 471 D HA -0.161 4.483 4.640 0.006 0.000 0.227 471 D C 1.121 177.400 176.300 -0.034 0.000 0.995 471 D CA 0.797 54.772 54.000 -0.040 0.000 0.928 471 D CB 0.049 40.824 40.800 -0.042 0.000 0.887 471 D HN 0.314 nan 8.370 nan 0.000 0.529 472 M N -0.717 118.860 119.600 -0.037 0.000 2.848 472 M HA 0.352 4.835 4.480 0.006 0.000 0.166 472 M C 1.888 178.175 176.300 -0.021 0.000 1.702 472 M CA 0.604 55.884 55.300 -0.033 0.000 1.731 472 M CB 0.204 32.777 32.600 -0.045 0.000 0.906 472 M HN -0.115 nan 8.290 nan 0.000 0.732 473 G N -0.411 108.376 108.800 -0.022 0.000 2.505 473 G HA2 0.381 4.345 3.960 0.006 0.000 0.214 473 G HA3 0.381 4.345 3.960 0.006 0.000 0.214 473 G C 0.675 175.610 174.900 0.058 0.000 1.237 473 G CA 0.873 45.974 45.100 0.001 0.000 0.802 473 G HN 0.962 nan 8.290 nan 0.000 0.549 474 G N -1.904 106.925 108.800 0.048 0.000 2.295 474 G HA2 0.202 4.165 3.960 0.006 0.000 0.195 474 G HA3 0.202 4.165 3.960 0.006 0.000 0.195 474 G C 0.402 175.336 174.900 0.057 0.000 1.269 474 G CA 0.049 45.174 45.100 0.043 0.000 1.170 474 G HN 1.204 nan 8.290 nan 0.000 0.511 475 L N -0.706 120.535 121.223 0.029 0.000 3.832 475 L HA -0.196 4.147 4.340 0.006 0.000 0.359 475 L C 2.741 179.471 176.870 -0.234 0.000 2.750 475 L CA 4.049 58.865 54.840 -0.040 0.000 2.342 475 L CB -1.516 40.652 42.059 0.182 0.000 2.206 475 L HN 3.097 nan 8.230 nan 0.000 0.725 476 G N -1.788 106.910 108.800 -0.169 0.000 2.147 476 G HA2 -0.312 3.652 3.960 0.006 0.000 0.244 476 G HA3 -0.312 3.652 3.960 0.006 0.000 0.244 476 G C 0.161 174.850 174.900 -0.352 0.000 1.005 476 G CA 0.136 45.060 45.100 -0.293 0.000 0.713 476 G HN 0.353 nan 8.290 nan 0.000 0.515 477 F N -0.834 119.089 119.950 -0.045 0.000 2.410 477 F HA 0.445 4.976 4.527 0.006 0.000 0.334 477 F C 1.750 177.580 175.800 0.051 0.000 1.134 477 F CA -0.549 57.526 58.000 0.125 0.000 1.227 477 F CB 0.515 39.606 39.000 0.153 0.000 1.194 477 F HN 0.078 nan 8.300 nan 0.000 0.571 478 W N 0.028 121.441 121.300 0.187 0.000 2.494 478 W HA -0.030 4.634 4.660 0.006 0.000 0.286 478 W C -0.307 176.078 176.519 -0.223 0.000 1.218 478 W CA 0.563 57.905 57.345 -0.006 0.000 1.313 478 W CB 0.026 29.414 29.460 -0.121 0.000 1.105 478 W HN 0.329 nan 8.180 nan 0.000 0.561 479 Y N -0.208 120.357 120.300 0.441 0.000 2.545 479 Y HA 0.417 4.971 4.550 0.006 0.000 0.348 479 Y C -0.136 175.860 175.900 0.160 0.000 1.002 479 Y CA -1.210 57.040 58.100 0.250 0.000 1.039 479 Y CB 1.768 40.402 38.460 0.291 0.000 1.271 479 Y HN -0.450 nan 8.280 nan 0.000 0.467 480 K N 1.522 122.093 120.400 0.286 0.000 2.371 480 K HA 0.354 4.677 4.320 0.006 0.000 0.251 480 K C -1.595 175.332 176.600 0.544 0.000 0.934 480 K CA -0.727 55.718 56.287 0.264 0.000 0.798 480 K CB 1.199 33.758 32.500 0.098 0.000 1.204 480 K HN 0.623 nan 8.250 nan 0.000 0.427 481 W N 2.184 123.608 121.300 0.207 0.000 2.210 481 W HA 0.098 4.761 4.660 0.006 0.000 0.330 481 W C 0.755 177.460 176.519 0.311 0.000 1.334 481 W CA -0.234 57.236 57.345 0.208 0.000 1.227 481 W CB 0.153 29.681 29.460 0.113 0.000 1.178 481 W HN 0.446 nan 8.180 nan 0.000 0.560 482 N N 3.908 122.807 118.700 0.331 0.000 2.949 482 N HA 0.141 4.884 4.740 0.006 0.000 0.243 482 N C 0.814 176.413 175.510 0.149 0.000 1.113 482 N CA 0.027 53.122 53.050 0.075 0.000 0.980 482 N CB 0.081 38.346 38.487 -0.370 0.000 1.256 482 N HN 0.410 nan 8.380 nan 0.000 0.508 483 L N 0.662 122.014 121.223 0.214 0.000 2.109 483 L HA 0.060 4.403 4.340 0.006 0.000 0.207 483 L C 2.315 179.269 176.870 0.140 0.000 1.086 483 L CA 1.027 55.952 54.840 0.141 0.000 0.760 483 L CB -0.369 41.811 42.059 0.202 0.000 0.910 483 L HN 0.465 nan 8.230 nan 0.000 0.437 484 G N -0.288 108.652 108.800 0.234 0.000 2.476 484 G HA2 -0.343 3.620 3.960 0.006 0.000 0.218 484 G HA3 -0.343 3.620 3.960 0.006 0.000 0.218 484 G C 1.299 176.369 174.900 0.283 0.000 1.164 484 G CA 0.794 46.051 45.100 0.263 0.000 0.768 484 G HN 0.506 nan 8.290 nan 0.000 0.560 485 W N 0.602 121.958 121.300 0.094 0.000 2.355 485 W HA -0.074 4.589 4.660 0.006 0.000 0.309 485 W C 2.558 179.075 176.519 -0.003 0.000 1.206 485 W CA 2.061 59.420 57.345 0.023 0.000 1.284 485 W CB -0.047 29.344 29.460 -0.116 0.000 1.145 485 W HN 0.168 nan 8.180 nan 0.000 0.502 486 M N 0.154 119.893 119.600 0.231 0.000 2.065 486 M HA -0.270 4.213 4.480 0.006 0.000 0.259 486 M C 1.811 178.016 176.300 -0.160 0.000 1.069 486 M CA 2.391 57.706 55.300 0.026 0.000 1.110 486 M CB -1.460 31.142 32.600 0.004 0.000 1.328 486 M HN 0.205 nan 8.290 nan 0.000 0.405 487 H N 0.277 119.335 119.070 -0.020 0.000 2.319 487 H HA -0.159 4.400 4.556 0.006 0.000 0.299 487 H C 1.803 177.048 175.328 -0.139 0.000 1.092 487 H CA 1.857 57.866 56.048 -0.065 0.000 1.302 487 H CB -0.109 29.637 29.762 -0.027 0.000 1.373 487 H HN 0.451 nan 8.280 nan 0.000 0.497 488 D N -0.508 119.879 120.400 -0.022 0.000 2.097 488 D HA -0.145 4.499 4.640 0.006 0.000 0.195 488 D C 2.464 178.612 176.300 -0.253 0.000 0.989 488 D CA 2.023 55.955 54.000 -0.112 0.000 0.827 488 D CB -0.657 40.106 40.800 -0.061 0.000 0.966 488 D HN 0.522 nan 8.370 nan 0.000 0.456 489 T N -0.680 113.584 114.554 -0.483 0.000 2.777 489 T HA -0.118 4.235 4.350 0.006 0.000 0.266 489 T C 2.055 176.472 174.700 -0.471 0.000 1.040 489 T CA 0.497 62.249 62.100 -0.580 0.000 1.141 489 T CB -0.460 67.861 68.868 -0.911 0.000 0.868 489 T HN -0.058 nan 8.240 nan 0.000 0.444 490 L N 2.212 123.193 121.223 -0.403 0.000 2.046 490 L HA -0.008 4.335 4.340 0.006 0.000 0.208 490 L C 2.240 178.946 176.870 -0.274 0.000 1.077 490 L CA 1.680 56.306 54.840 -0.358 0.000 0.747 490 L CB -1.152 40.783 42.059 -0.206 0.000 0.896 490 L HN 0.264 nan 8.230 nan 0.000 0.432 491 D N -2.140 118.142 120.400 -0.198 0.000 2.178 491 D HA -0.252 4.392 4.640 0.006 0.000 0.201 491 D C 2.037 178.194 176.300 -0.238 0.000 0.980 491 D CA 1.013 54.897 54.000 -0.194 0.000 0.842 491 D CB -0.195 40.509 40.800 -0.159 0.000 0.948 491 D HN 0.359 nan 8.370 nan 0.000 0.472 492 Y N 1.048 121.132 120.300 -0.360 0.000 2.089 492 Y HA -0.215 4.338 4.550 0.006 0.000 0.282 492 Y C 2.205 177.860 175.900 -0.408 0.000 1.139 492 Y CA 1.459 59.325 58.100 -0.390 0.000 1.123 492 Y CB -0.143 38.023 38.460 -0.489 0.000 0.980 492 Y HN -0.183 nan 8.280 nan 0.000 0.493 493 M N 0.582 119.960 119.600 -0.369 0.000 2.267 493 M HA -0.213 4.270 4.480 0.006 0.000 0.263 493 M C 1.758 177.845 176.300 -0.355 0.000 1.063 493 M CA 1.538 56.586 55.300 -0.420 0.000 1.090 493 M CB -1.013 31.255 32.600 -0.552 0.000 1.392 493 M HN 0.295 nan 8.290 nan 0.000 0.422 494 K N 0.168 120.378 120.400 -0.317 0.000 2.211 494 K HA 0.049 4.373 4.320 0.006 0.000 0.203 494 K C 0.666 177.130 176.600 -0.228 0.000 1.050 494 K CA 0.304 56.445 56.287 -0.243 0.000 0.945 494 K CB -0.226 32.153 32.500 -0.202 0.000 0.732 494 K HN 0.305 nan 8.250 nan 0.000 0.451 495 L N 2.509 123.561 121.223 -0.286 0.000 2.485 495 L HA -0.027 4.316 4.340 0.006 0.000 0.275 495 L C 0.582 177.351 176.870 -0.168 0.000 1.207 495 L CA -0.380 54.330 54.840 -0.217 0.000 0.855 495 L CB 0.020 41.906 42.059 -0.288 0.000 1.114 495 L HN 0.124 nan 8.230 nan 0.000 0.485 496 D N 4.953 125.324 120.400 -0.047 0.000 2.520 496 D HA -0.041 4.603 4.640 0.006 0.000 0.243 496 D C -1.601 174.621 176.300 -0.130 0.000 1.160 496 D CA -1.248 52.712 54.000 -0.067 0.000 0.877 496 D CB 1.265 42.074 40.800 0.015 0.000 1.150 496 D HN 0.225 nan 8.370 nan 0.000 0.494 497 P HA -0.145 nan 4.420 nan 0.000 0.220 497 P C 1.565 178.757 177.300 -0.180 0.000 1.144 497 P CA 0.337 63.335 63.100 -0.170 0.000 0.800 497 P CB 0.289 31.913 31.700 -0.127 0.000 0.772 498 V N -1.964 117.799 119.914 -0.252 0.000 2.720 498 V HA -0.216 3.908 4.120 0.006 0.000 0.256 498 V C 1.585 177.453 176.094 -0.376 0.000 1.082 498 V CA 1.769 63.856 62.300 -0.355 0.000 1.101 498 V CB -1.128 30.406 31.823 -0.481 0.000 0.693 498 V HN 0.213 nan 8.190 nan 0.000 0.479 499 Y N -1.449 118.826 120.300 -0.043 0.000 2.467 499 Y HA 0.202 4.756 4.550 0.006 0.000 0.250 499 Y C 2.337 178.215 175.900 -0.036 0.000 1.155 499 Y CA -0.334 57.795 58.100 0.048 0.000 1.249 499 Y CB 0.077 38.638 38.460 0.168 0.000 1.146 499 Y HN 0.050 nan 8.280 nan 0.000 0.524 500 R N 1.110 121.577 120.500 -0.055 0.000 2.127 500 R HA -0.240 4.104 4.340 0.006 0.000 0.238 500 R C 2.243 178.536 176.300 -0.010 0.000 1.134 500 R CA 1.813 57.823 56.100 -0.151 0.000 0.975 500 R CB -0.332 29.768 30.300 -0.332 0.000 0.865 500 R HN 0.581 nan 8.270 nan 0.000 0.447 501 Q N -0.066 119.628 119.800 -0.176 0.000 2.308 501 Q HA -0.214 4.129 4.340 0.006 0.000 0.209 501 Q C 0.743 176.540 176.000 -0.338 0.000 0.985 501 Q CA 1.728 57.360 55.803 -0.284 0.000 0.881 501 Q CB -0.285 28.165 28.738 -0.480 0.000 0.917 501 Q HN 0.555 nan 8.270 nan 0.000 0.443 502 Y N -0.673 119.632 120.300 0.009 0.000 2.466 502 Y HA 0.174 4.728 4.550 0.006 0.000 0.272 502 Y C 0.739 176.363 175.900 -0.460 0.000 1.169 502 Y CA -0.056 57.909 58.100 -0.224 0.000 1.285 502 Y CB 0.574 38.840 38.460 -0.323 0.000 1.078 502 Y HN 0.263 nan 8.280 nan 0.000 0.523 503 H N -1.506 117.671 119.070 0.178 0.000 2.651 503 H HA 0.122 4.682 4.556 0.006 0.000 0.241 503 H C 0.934 176.418 175.328 0.260 0.000 1.225 503 H CA -0.087 56.065 56.048 0.173 0.000 0.942 503 H CB -0.107 29.716 29.762 0.101 0.000 1.996 503 H HN 0.504 nan 8.280 nan 0.000 0.600 504 H N 1.863 121.042 119.070 0.182 0.000 2.457 504 H HA -0.111 4.448 4.556 0.006 0.000 0.297 504 H C 1.405 176.756 175.328 0.039 0.000 1.092 504 H CA 1.674 57.788 56.048 0.110 0.000 1.309 504 H CB 0.529 30.319 29.762 0.045 0.000 1.382 504 H HN 0.574 nan 8.280 nan 0.000 0.535 505 D N 0.550 121.049 120.400 0.165 0.000 2.264 505 D HA -0.143 4.501 4.640 0.006 0.000 0.208 505 D C 1.671 178.034 176.300 0.105 0.000 0.966 505 D CA 0.572 54.656 54.000 0.139 0.000 0.864 505 D CB -0.276 40.605 40.800 0.136 0.000 0.933 505 D HN 0.309 nan 8.370 nan 0.000 0.499 506 K N -0.548 119.883 120.400 0.053 0.000 2.281 506 K HA -0.068 4.255 4.320 0.006 0.000 0.203 506 K C 1.646 178.150 176.600 -0.160 0.000 1.046 506 K CA 0.514 56.787 56.287 -0.023 0.000 0.938 506 K CB 0.154 32.665 32.500 0.019 0.000 0.737 506 K HN 0.094 nan 8.250 nan 0.000 0.458 507 L N -0.434 120.609 121.223 -0.300 0.000 2.425 507 L HA -0.004 4.339 4.340 0.006 0.000 0.215 507 L C 2.261 179.261 176.870 0.217 0.000 1.065 507 L CA 1.496 56.155 54.840 -0.303 0.000 0.842 507 L CB -0.498 41.058 42.059 -0.839 0.000 1.033 507 L HN 0.227 nan 8.230 nan 0.000 0.474 508 T N -4.346 110.316 114.554 0.181 0.000 3.067 508 T HA -0.116 4.237 4.350 0.006 0.000 0.261 508 T C 1.902 176.876 174.700 0.456 0.000 1.110 508 T CA 0.385 62.718 62.100 0.388 0.000 1.113 508 T CB -0.653 68.248 68.868 0.055 0.000 0.917 508 T HN 0.112 nan 8.240 nan 0.000 0.499 509 F N 2.602 122.694 119.950 0.237 0.000 2.171 509 F HA 0.149 4.679 4.527 0.006 0.000 0.300 509 F C 2.417 178.404 175.800 0.312 0.000 1.090 509 F CA 1.184 59.341 58.000 0.263 0.000 1.293 509 F CB -0.531 38.604 39.000 0.226 0.000 1.013 509 F HN 0.293 nan 8.300 nan 0.000 0.486 510 G N 0.562 109.564 108.800 0.337 0.000 2.498 510 G HA2 -0.220 3.743 3.960 0.006 0.000 0.219 510 G HA3 -0.220 3.743 3.960 0.006 0.000 0.219 510 G C 1.543 176.283 174.900 -0.267 0.000 1.119 510 G CA 0.849 45.959 45.100 0.016 0.000 0.766 510 G HN 0.351 nan 8.290 nan 0.000 0.552 511 I N 0.079 120.623 120.570 -0.043 0.000 2.439 511 I HA -0.010 4.163 4.170 0.006 0.000 0.251 511 I C 2.523 178.527 176.117 -0.189 0.000 1.139 511 I CA 0.553 61.696 61.300 -0.263 0.000 1.438 511 I CB -0.782 37.135 38.000 -0.138 0.000 1.085 511 I HN 0.090 nan 8.210 nan 0.000 0.427 512 L N 0.333 121.463 121.223 -0.155 0.000 2.191 512 L HA -0.198 4.146 4.340 0.006 0.000 0.212 512 L C 2.005 178.863 176.870 -0.021 0.000 1.103 512 L CA 1.699 56.477 54.840 -0.103 0.000 0.769 512 L CB -0.804 41.096 42.059 -0.265 0.000 0.908 512 L HN 0.478 nan 8.230 nan 0.000 0.438 513 Y N -4.564 115.650 120.300 -0.144 0.000 2.660 513 Y HA 0.317 4.871 4.550 0.006 0.000 0.254 513 Y C 1.703 177.660 175.900 0.094 0.000 1.176 513 Y CA -0.390 57.713 58.100 0.006 0.000 1.195 513 Y CB -1.225 37.264 38.460 0.047 0.000 1.190 513 Y HN 0.088 nan 8.280 nan 0.000 0.535 514 N N 0.848 119.333 118.700 -0.360 0.000 2.166 514 N HA -0.216 4.528 4.740 0.006 0.000 0.186 514 N C 0.233 175.468 175.510 -0.459 0.000 1.019 514 N CA 1.416 54.171 53.050 -0.492 0.000 0.856 514 N CB -0.192 37.717 38.487 -0.964 0.000 0.993 514 N HN 0.561 nan 8.380 nan 0.000 0.426 515 Y N 0.168 120.476 120.300 0.012 0.000 2.495 515 Y HA 0.118 4.671 4.550 0.006 0.000 0.293 515 Y C 2.140 178.024 175.900 -0.027 0.000 1.186 515 Y CA 0.357 58.452 58.100 -0.008 0.000 1.266 515 Y CB -0.047 38.399 38.460 -0.023 0.000 1.101 515 Y HN 0.138 nan 8.280 nan 0.000 0.517 516 T N -3.443 111.156 114.554 0.074 0.000 3.051 516 T HA 0.129 4.483 4.350 0.006 0.000 0.255 516 T C 0.432 175.048 174.700 -0.140 0.000 1.085 516 T CA 0.354 62.472 62.100 0.030 0.000 1.109 516 T CB 0.301 69.247 68.868 0.130 0.000 0.921 516 T HN 0.036 nan 8.240 nan 0.000 0.488 517 E N 1.399 121.386 120.200 -0.355 0.000 2.408 517 E HA 0.345 4.698 4.350 0.006 0.000 0.275 517 E C -1.374 174.717 176.600 -0.848 0.000 0.935 517 E CA -0.844 55.142 56.400 -0.689 0.000 0.775 517 E CB 1.299 30.324 29.700 -1.125 0.000 1.277 517 E HN 0.137 nan 8.360 nan 0.000 0.455 518 N N 1.757 119.967 118.700 -0.816 0.000 2.482 518 N HA 0.253 4.996 4.740 0.006 0.000 0.242 518 N C -0.724 174.616 175.510 -0.284 0.000 1.100 518 N CA 0.169 52.639 53.050 -0.967 0.000 0.946 518 N CB -0.062 37.647 38.487 -1.297 0.000 1.227 518 N HN 0.224 nan 8.380 nan 0.000 0.508 519 F N 0.386 120.442 119.950 0.176 0.000 2.379 519 F HA 0.355 4.886 4.527 0.006 0.000 0.332 519 F C 0.792 176.710 175.800 0.196 0.000 1.096 519 F CA -0.901 57.208 58.000 0.183 0.000 1.105 519 F CB 1.227 40.261 39.000 0.056 0.000 1.189 519 F HN -0.010 nan 8.300 nan 0.000 0.515 520 V N 4.192 124.317 119.914 0.353 0.000 2.459 520 V HA 0.293 4.417 4.120 0.006 0.000 0.295 520 V C -0.179 175.817 176.094 -0.163 0.000 1.029 520 V CA -0.914 61.410 62.300 0.039 0.000 0.874 520 V CB 1.680 33.504 31.823 0.002 0.000 0.985 520 V HN 0.478 nan 8.190 nan 0.000 0.438 521 L N 7.710 128.702 121.223 -0.385 0.000 2.283 521 L HA 0.458 4.801 4.340 0.006 0.000 0.287 521 L C -2.478 174.114 176.870 -0.464 0.000 1.073 521 L CA -1.256 53.235 54.840 -0.583 0.000 0.822 521 L CB 1.083 42.528 42.059 -1.024 0.000 1.186 521 L HN 0.447 nan 8.230 nan 0.000 0.436 522 P HA 0.369 nan 4.420 nan 0.000 0.308 522 P C -1.131 176.022 177.300 -0.246 0.000 1.457 522 P CA -0.672 62.118 63.100 -0.517 0.000 1.041 522 P CB 2.402 33.436 31.700 -1.109 0.000 1.101 523 L N 2.653 123.786 121.223 -0.150 0.000 2.356 523 L HA 0.416 4.760 4.340 0.006 0.000 0.264 523 L C 0.721 177.566 176.870 -0.043 0.000 1.029 523 L CA 0.090 54.929 54.840 -0.001 0.000 0.897 523 L CB 0.233 42.390 42.059 0.163 0.000 1.256 523 L HN 0.449 nan 8.230 nan 0.000 0.444 524 S N 0.242 115.852 115.700 -0.149 0.000 2.766 524 S HA 0.377 4.850 4.470 0.006 0.000 0.307 524 S C 1.347 175.686 174.600 -0.435 0.000 1.121 524 S CA -0.031 58.045 58.200 -0.208 0.000 0.980 524 S CB 0.709 63.772 63.200 -0.228 0.000 1.159 524 S HN 0.749 nan 8.310 nan 0.000 0.546 525 H N -0.773 117.714 119.070 -0.972 0.000 2.457 525 H HA 0.041 4.600 4.556 0.006 0.000 0.297 525 H C 0.913 175.930 175.328 -0.519 0.000 1.092 525 H CA 1.698 56.858 56.048 -1.479 0.000 1.309 525 H CB -0.464 28.072 29.762 -2.044 0.000 1.382 525 H HN 0.543 nan 8.280 nan 0.000 0.535 526 D N 0.671 120.559 120.400 -0.854 0.000 2.264 526 D HA -0.093 4.551 4.640 0.006 0.000 0.208 526 D C 1.198 177.419 176.300 -0.132 0.000 0.966 526 D CA 0.789 54.573 54.000 -0.359 0.000 0.864 526 D CB 0.031 40.682 40.800 -0.248 0.000 0.933 526 D HN 0.591 nan 8.370 nan 0.000 0.499 527 E N 0.096 120.206 120.200 -0.149 0.000 2.479 527 E HA 0.012 4.365 4.350 0.006 0.000 0.193 527 E C 1.318 177.913 176.600 -0.007 0.000 1.049 527 E CA 0.135 56.507 56.400 -0.048 0.000 0.870 527 E CB 0.643 30.316 29.700 -0.045 0.000 0.944 527 E HN 0.225 nan 8.360 nan 0.000 0.492 528 V N -1.796 118.110 119.914 -0.013 0.000 2.925 528 V HA 0.337 4.461 4.120 0.006 0.000 0.361 528 V C 0.373 176.517 176.094 0.083 0.000 1.361 528 V CA -0.609 61.727 62.300 0.059 0.000 1.184 528 V CB -0.242 31.654 31.823 0.121 0.000 1.245 528 V HN -0.081 nan 8.190 nan 0.000 0.575 529 V N -4.169 115.756 119.914 0.019 0.000 3.139 529 V HA 0.680 4.803 4.120 0.006 0.000 0.310 529 V C 0.806 176.891 176.094 -0.014 0.000 1.260 529 V CA -0.728 61.529 62.300 -0.072 0.000 1.064 529 V CB 1.169 32.820 31.823 -0.287 0.000 1.160 529 V HN 0.475 nan 8.190 nan 0.000 0.470 530 H N 0.288 119.435 119.070 0.129 0.000 2.594 530 H HA -0.183 4.376 4.556 0.006 0.000 0.316 530 H C 1.456 176.822 175.328 0.063 0.000 1.107 530 H CA 1.671 57.776 56.048 0.094 0.000 1.133 530 H CB -1.632 28.191 29.762 0.102 0.000 1.459 530 H HN 2.092 nan 8.280 nan 0.000 0.411 531 G N -1.071 107.814 108.800 0.143 0.000 2.195 531 G HA2 -0.404 3.560 3.960 0.006 0.000 0.246 531 G HA3 -0.404 3.560 3.960 0.006 0.000 0.246 531 G C 1.320 176.261 174.900 0.068 0.000 0.984 531 G CA 0.627 45.781 45.100 0.090 0.000 0.633 531 G HN 0.512 nan 8.290 nan 0.000 0.525 532 K N 0.461 120.908 120.400 0.079 0.000 2.280 532 K HA 0.196 4.520 4.320 0.006 0.000 0.202 532 K C 1.089 177.710 176.600 0.034 0.000 1.047 532 K CA 1.267 57.587 56.287 0.054 0.000 0.942 532 K CB -0.092 32.445 32.500 0.061 0.000 0.739 532 K HN 0.652 nan 8.250 nan 0.000 0.457 533 K N -1.081 119.343 120.400 0.041 0.000 4.594 533 K HA -0.142 4.182 4.320 0.006 0.000 0.887 533 K C -0.321 176.303 176.600 0.040 0.000 2.502 533 K CA 0.287 56.594 56.287 0.033 0.000 1.440 533 K CB -1.134 31.373 32.500 0.011 0.000 2.620 533 K HN 0.288 nan 8.250 nan 0.000 0.217 534 S N -0.090 115.632 115.700 0.037 0.000 2.624 534 S HA 0.320 4.793 4.470 0.006 0.000 0.263 534 S C 1.486 176.099 174.600 0.021 0.000 1.287 534 S CA -0.698 57.528 58.200 0.044 0.000 0.990 534 S CB 0.513 63.736 63.200 0.038 0.000 0.950 534 S HN 0.449 nan 8.310 nan 0.000 0.561 535 I N 0.416 121.010 120.570 0.040 0.000 2.202 535 I HA -0.084 4.089 4.170 0.006 0.000 0.242 535 I C 2.420 178.508 176.117 -0.049 0.000 1.091 535 I CA 0.994 62.311 61.300 0.029 0.000 1.368 535 I CB -1.680 36.401 38.000 0.134 0.000 1.058 535 I HN 0.650 nan 8.210 nan 0.000 0.410 536 L N 1.497 122.679 121.223 -0.068 0.000 2.021 536 L HA -0.258 4.086 4.340 0.006 0.000 0.215 536 L C 1.857 178.632 176.870 -0.159 0.000 1.074 536 L CA 2.087 56.821 54.840 -0.176 0.000 0.760 536 L CB -0.833 41.100 42.059 -0.210 0.000 0.889 536 L HN 0.163 nan 8.230 nan 0.000 0.433 537 D N -1.150 119.197 120.400 -0.089 0.000 2.348 537 D HA -0.083 4.561 4.640 0.006 0.000 0.216 537 D C 2.286 178.539 176.300 -0.079 0.000 0.970 537 D CA 0.515 54.473 54.000 -0.069 0.000 0.889 537 D CB 0.000 40.785 40.800 -0.025 0.000 0.912 537 D HN 0.323 nan 8.370 nan 0.000 0.524 538 R N -0.470 119.973 120.500 -0.094 0.000 2.148 538 R HA 0.021 4.365 4.340 0.006 0.000 0.227 538 R C 0.617 176.828 176.300 -0.148 0.000 1.103 538 R CA 0.444 56.475 56.100 -0.115 0.000 0.983 538 R CB 0.131 30.354 30.300 -0.128 0.000 0.874 538 R HN 0.105 nan 8.270 nan 0.000 0.451 539 M N 1.594 121.094 119.600 -0.167 0.000 2.243 539 M HA 0.155 4.638 4.480 0.006 0.000 0.341 539 M C -2.034 174.169 176.300 -0.161 0.000 1.130 539 M CA -2.245 52.942 55.300 -0.187 0.000 1.162 539 M CB 0.078 32.553 32.600 -0.207 0.000 1.497 539 M HN -0.112 nan 8.290 nan 0.000 0.456 540 P HA 0.583 nan 4.420 nan 0.000 0.280 540 P C 0.074 177.272 177.300 -0.170 0.000 1.272 540 P CA 0.080 63.092 63.100 -0.146 0.000 0.819 540 P CB 1.144 32.758 31.700 -0.144 0.000 1.122 541 G N 0.710 109.424 108.800 -0.145 0.000 2.725 541 G HA2 -0.136 3.827 3.960 0.006 0.000 0.220 541 G HA3 -0.136 3.827 3.960 0.006 0.000 0.220 541 G C -0.890 173.923 174.900 -0.145 0.000 1.357 541 G CA -0.571 44.424 45.100 -0.174 0.000 0.866 541 G HN 0.560 nan 8.290 nan 0.000 0.548 542 D N -0.010 120.292 120.400 -0.162 0.000 2.363 542 D HA 0.473 5.117 4.640 0.006 0.000 0.240 542 D C 1.774 178.041 176.300 -0.055 0.000 1.236 542 D CA 0.514 54.493 54.000 -0.034 0.000 0.927 542 D CB 0.477 41.358 40.800 0.135 0.000 1.150 542 D HN 0.936 nan 8.370 nan 0.000 0.458 543 A N 1.158 124.106 122.820 0.213 0.000 1.908 543 A HA -0.178 4.146 4.320 0.006 0.000 0.218 543 A C 1.999 179.860 177.584 0.462 0.000 1.181 543 A CA 1.628 53.910 52.037 0.407 0.000 0.627 543 A CB -1.022 18.349 19.000 0.620 0.000 0.818 543 A HN 0.817 nan 8.150 nan 0.000 0.445 544 W N 0.194 121.614 121.300 0.200 0.000 2.350 544 W HA -0.200 4.463 4.660 0.006 0.000 0.289 544 W C 1.427 177.886 176.519 -0.099 0.000 1.215 544 W CA 1.293 58.496 57.345 -0.237 0.000 1.236 544 W CB -1.091 28.194 29.460 -0.292 0.000 1.130 544 W HN 0.479 nan 8.180 nan 0.000 0.541 545 Q N 0.991 120.299 119.800 -0.820 0.000 2.187 545 Q HA -0.078 4.266 4.340 0.006 0.000 0.199 545 Q C 2.316 178.129 176.000 -0.311 0.000 0.957 545 Q CA 1.355 56.737 55.803 -0.702 0.000 0.857 545 Q CB -0.169 28.031 28.738 -0.897 0.000 0.929 545 Q HN 0.294 nan 8.270 nan 0.000 0.453 546 K N 0.270 120.547 120.400 -0.206 0.000 1.985 546 K HA -0.140 4.184 4.320 0.006 0.000 0.210 546 K C 1.765 178.242 176.600 -0.206 0.000 1.047 546 K CA 1.494 57.663 56.287 -0.196 0.000 0.932 546 K CB -0.173 32.204 32.500 -0.205 0.000 0.716 546 K HN 0.086 nan 8.250 nan 0.000 0.439 547 F N 0.989 120.873 119.950 -0.110 0.000 2.095 547 F HA -0.246 4.284 4.527 0.006 0.000 0.298 547 F C 2.533 178.261 175.800 -0.120 0.000 1.104 547 F CA 1.364 59.304 58.000 -0.101 0.000 1.232 547 F CB -0.722 38.206 39.000 -0.120 0.000 0.987 547 F HN 0.088 nan 8.300 nan 0.000 0.475 548 A N 0.307 123.149 122.820 0.036 0.000 1.883 548 A HA -0.238 4.085 4.320 0.006 0.000 0.217 548 A C 2.222 179.795 177.584 -0.018 0.000 1.186 548 A CA 2.034 54.069 52.037 -0.004 0.000 0.624 548 A CB -0.971 18.009 19.000 -0.033 0.000 0.822 548 A HN 0.389 nan 8.150 nan 0.000 0.444 549 N N -0.397 118.267 118.700 -0.060 0.000 2.061 549 N HA -0.175 4.568 4.740 0.006 0.000 0.193 549 N C 1.668 177.164 175.510 -0.022 0.000 1.030 549 N CA 1.788 54.818 53.050 -0.034 0.000 0.856 549 N CB -0.445 37.978 38.487 -0.107 0.000 1.023 549 N HN 0.433 nan 8.380 nan 0.000 0.424 550 L N 1.893 123.048 121.223 -0.113 0.000 2.093 550 L HA -0.039 4.305 4.340 0.006 0.000 0.208 550 L C 2.283 178.993 176.870 -0.267 0.000 1.085 550 L CA 1.297 56.005 54.840 -0.219 0.000 0.755 550 L CB -0.262 41.614 42.059 -0.304 0.000 0.904 550 L HN 0.018 nan 8.230 nan 0.000 0.435 551 R N -0.408 120.033 120.500 -0.099 0.000 2.083 551 R HA -0.145 4.198 4.340 0.006 0.000 0.237 551 R C 2.244 178.578 176.300 0.057 0.000 1.137 551 R CA 1.445 57.529 56.100 -0.028 0.000 0.951 551 R CB -0.813 29.496 30.300 0.015 0.000 0.851 551 R HN 0.516 nan 8.270 nan 0.000 0.434 552 A N 0.486 123.365 122.820 0.098 0.000 1.902 552 A HA -0.229 4.094 4.320 0.006 0.000 0.217 552 A C 2.016 179.843 177.584 0.405 0.000 1.181 552 A CA 1.253 53.390 52.037 0.167 0.000 0.623 552 A CB -0.804 18.249 19.000 0.089 0.000 0.818 552 A HN 0.510 nan 8.150 nan 0.000 0.443 553 Y N -1.213 119.233 120.300 0.242 0.000 2.145 553 Y HA -0.296 4.257 4.550 0.006 0.000 0.286 553 Y C 2.338 178.544 175.900 0.510 0.000 1.145 553 Y CA 1.920 60.213 58.100 0.321 0.000 1.148 553 Y CB -0.253 38.259 38.460 0.085 0.000 0.981 553 Y HN 0.377 nan 8.280 nan 0.000 0.507 554 Y N 0.222 120.672 120.300 0.250 0.000 2.165 554 Y HA -0.179 4.374 4.550 0.006 0.000 0.286 554 Y C 2.682 178.777 175.900 0.324 0.000 1.155 554 Y CA 0.839 59.066 58.100 0.211 0.000 1.164 554 Y CB -1.477 37.002 38.460 0.031 0.000 0.978 554 Y HN 0.241 nan 8.280 nan 0.000 0.513 555 G N -0.579 108.474 108.800 0.420 0.000 2.440 555 G HA2 -0.284 3.679 3.960 0.006 0.000 0.218 555 G HA3 -0.284 3.679 3.960 0.006 0.000 0.218 555 G C 1.694 177.013 174.900 0.699 0.000 1.154 555 G CA 0.769 46.115 45.100 0.411 0.000 0.767 555 G HN 0.565 nan 8.290 nan 0.000 0.552 556 W N 0.764 122.361 121.300 0.496 0.000 2.379 556 W HA -0.043 4.620 4.660 0.006 0.000 0.307 556 W C 2.382 179.227 176.519 0.543 0.000 1.200 556 W CA 1.432 59.111 57.345 0.556 0.000 1.297 556 W CB -0.325 29.496 29.460 0.601 0.000 1.140 556 W HN 0.291 nan 8.180 nan 0.000 0.507 557 M N 0.038 120.008 119.600 0.616 0.000 2.082 557 M HA -0.295 4.189 4.480 0.006 0.000 0.258 557 M C 2.174 178.568 176.300 0.156 0.000 1.069 557 M CA 2.401 57.922 55.300 0.368 0.000 1.102 557 M CB -1.017 31.753 32.600 0.283 0.000 1.336 557 M HN 0.069 nan 8.290 nan 0.000 0.404 558 W N -0.135 121.237 121.300 0.121 0.000 2.595 558 W HA -0.002 4.661 4.660 0.006 0.000 0.257 558 W C 2.092 178.634 176.519 0.038 0.000 1.267 558 W CA 1.003 58.365 57.345 0.028 0.000 1.300 558 W CB -0.046 29.517 29.460 0.172 0.000 1.120 558 W HN 0.455 nan 8.180 nan 0.000 0.618 559 A N -1.067 121.904 122.820 0.252 0.000 2.063 559 A HA 0.036 4.360 4.320 0.006 0.000 0.211 559 A C 0.409 177.974 177.584 -0.033 0.000 1.177 559 A CA -0.124 51.869 52.037 -0.072 0.000 0.759 559 A CB -0.643 18.230 19.000 -0.211 0.000 0.857 559 A HN 0.024 nan 8.150 nan 0.000 0.468 560 F N 1.331 121.135 119.950 -0.243 0.000 2.471 560 F HA 0.391 4.921 4.527 0.006 0.000 0.353 560 F C -2.228 173.289 175.800 -0.472 0.000 1.113 560 F CA -2.274 55.450 58.000 -0.459 0.000 1.262 560 F CB 0.678 39.388 39.000 -0.482 0.000 1.146 560 F HN -0.048 nan 8.300 nan 0.000 0.578 561 P HA 0.243 nan 4.420 nan 0.000 0.262 561 P C -0.595 176.463 177.300 -0.403 0.000 1.182 561 P CA 0.727 63.452 63.100 -0.625 0.000 0.761 561 P CB 0.145 31.326 31.700 -0.864 0.000 0.795 562 G N 1.591 110.200 108.800 -0.317 0.000 2.528 562 G HA2 0.018 3.981 3.960 0.006 0.000 0.681 562 G HA3 0.018 3.981 3.960 0.006 0.000 0.681 562 G C -1.018 173.773 174.900 -0.181 0.000 1.340 562 G CA -1.013 44.000 45.100 -0.145 0.000 0.855 562 G HN 0.271 nan 8.290 nan 0.000 0.649 563 K N 0.359 120.733 120.400 -0.043 0.000 2.188 563 K HA 0.380 4.703 4.320 0.006 0.000 0.246 563 K C 0.431 176.823 176.600 -0.348 0.000 1.026 563 K CA 0.078 56.285 56.287 -0.133 0.000 0.871 563 K CB 0.308 32.753 32.500 -0.091 0.000 1.042 563 K HN 0.545 nan 8.250 nan 0.000 0.509 564 K N 0.903 121.040 120.400 -0.438 0.000 2.324 564 K HA 0.485 4.808 4.320 0.006 0.000 0.253 564 K C -0.498 175.862 176.600 -0.401 0.000 0.932 564 K CA -0.763 55.146 56.287 -0.631 0.000 0.799 564 K CB 1.665 33.489 32.500 -1.127 0.000 1.154 564 K HN 0.523 nan 8.250 nan 0.000 0.425 565 L N 2.758 123.748 121.223 -0.388 0.000 2.409 565 L HA 0.497 4.840 4.340 0.006 0.000 0.272 565 L C -1.780 175.003 176.870 -0.146 0.000 0.980 565 L CA -1.046 53.649 54.840 -0.241 0.000 0.826 565 L CB 1.516 43.363 42.059 -0.353 0.000 1.268 565 L HN 0.514 nan 8.230 nan 0.000 0.407 566 L N 4.763 125.998 121.223 0.020 0.000 2.381 566 L HA 0.515 4.858 4.340 0.006 0.000 0.274 566 L C -1.134 175.771 176.870 0.058 0.000 0.988 566 L CA -0.147 54.763 54.840 0.116 0.000 0.824 566 L CB 1.641 43.907 42.059 0.344 0.000 1.263 566 L HN 0.533 nan 8.230 nan 0.000 0.410 567 F N 6.254 126.139 119.950 -0.109 0.000 2.456 567 F HA 0.371 4.901 4.527 0.006 0.000 0.358 567 F C 0.773 176.438 175.800 -0.225 0.000 1.095 567 F CA -0.783 57.084 58.000 -0.222 0.000 1.216 567 F CB 0.748 39.628 39.000 -0.200 0.000 1.125 567 F HN 0.625 nan 8.300 nan 0.000 0.549 568 M N 5.040 123.918 119.600 -1.203 0.000 2.226 568 M HA 0.254 4.738 4.480 0.006 0.000 0.352 568 M C 0.942 176.819 176.300 -0.706 0.000 1.226 568 M CA 1.249 56.063 55.300 -0.810 0.000 0.943 568 M CB -0.497 31.643 32.600 -0.767 0.000 1.805 568 M HN 0.995 nan 8.290 nan 0.000 0.465 569 G N 2.801 111.286 108.800 -0.526 0.000 2.345 569 G HA2 -0.314 3.649 3.960 0.006 0.000 0.218 569 G HA3 -0.314 3.649 3.960 0.006 0.000 0.218 569 G C 0.669 175.126 174.900 -0.738 0.000 1.058 569 G CA 0.484 45.029 45.100 -0.925 0.000 0.632 569 G HN 0.865 nan 8.290 nan 0.000 0.508 570 N N 1.266 119.806 118.700 -0.267 0.000 2.309 570 N HA -0.023 4.721 4.740 0.006 0.000 0.182 570 N C 2.001 177.545 175.510 0.057 0.000 1.018 570 N CA 1.152 54.193 53.050 -0.017 0.000 0.876 570 N CB -0.139 38.440 38.487 0.153 0.000 0.972 570 N HN 0.721 nan 8.380 nan 0.000 0.434 571 E N 1.593 121.809 120.200 0.027 0.000 2.347 571 E HA -0.165 4.188 4.350 0.006 0.000 0.196 571 E C 0.705 177.475 176.600 0.283 0.000 1.008 571 E CA 0.822 57.335 56.400 0.189 0.000 0.852 571 E CB -0.283 29.625 29.700 0.348 0.000 0.783 571 E HN 0.653 nan 8.360 nan 0.000 0.505 572 F N -1.163 118.920 119.950 0.221 0.000 2.735 572 F HA 0.740 5.270 4.527 0.006 0.000 0.304 572 F C 0.502 176.474 175.800 0.288 0.000 1.119 572 F CA -0.607 57.525 58.000 0.220 0.000 1.280 572 F CB 0.438 39.507 39.000 0.115 0.000 0.994 572 F HN 0.020 nan 8.300 nan 0.000 0.520 573 A N 1.215 124.171 122.820 0.228 0.000 2.519 573 A HA -0.327 3.997 4.320 0.006 0.000 0.297 573 A C 0.557 178.293 177.584 0.253 0.000 1.472 573 A CA 1.062 53.245 52.037 0.244 0.000 0.739 573 A CB -2.340 16.863 19.000 0.339 0.000 1.096 573 A HN 0.835 nan 8.150 nan 0.000 0.414 574 Q N -0.430 119.338 119.800 -0.053 0.000 2.333 574 Q HA 0.296 4.639 4.340 0.006 0.000 0.299 574 Q C 1.469 177.505 176.000 0.061 0.000 1.067 574 Q CA 0.983 56.780 55.803 -0.011 0.000 0.943 574 Q CB 0.415 29.049 28.738 -0.174 0.000 1.233 574 Q HN 0.925 nan 8.270 nan 0.000 0.401 575 G N 4.300 113.156 108.800 0.094 0.000 2.408 575 G HA2 -0.061 3.902 3.960 0.006 0.000 0.213 575 G HA3 -0.061 3.902 3.960 0.006 0.000 0.213 575 G C 0.280 175.221 174.900 0.069 0.000 1.177 575 G CA -0.097 45.062 45.100 0.098 0.000 0.802 575 G HN 0.547 nan 8.290 nan 0.000 0.533 576 R N 1.112 121.654 120.500 0.071 0.000 2.679 576 R HA 0.278 4.621 4.340 0.006 0.000 0.269 576 R C 0.063 176.410 176.300 0.078 0.000 1.076 576 R CA -0.216 55.926 56.100 0.070 0.000 1.160 576 R CB 0.634 30.980 30.300 0.076 0.000 1.054 576 R HN 0.389 nan 8.270 nan 0.000 0.507 577 E N 0.802 121.049 120.200 0.079 0.000 2.425 577 E HA -0.136 4.217 4.350 0.006 0.000 0.258 577 E C -0.523 176.175 176.600 0.164 0.000 1.151 577 E CA 0.031 56.495 56.400 0.107 0.000 0.958 577 E CB 0.316 30.059 29.700 0.071 0.000 0.968 577 E HN 0.407 nan 8.360 nan 0.000 0.451 578 W N 2.485 123.805 121.300 0.032 0.000 2.253 578 W HA 0.065 4.728 4.660 0.006 0.000 0.322 578 W C -0.456 176.081 176.519 0.030 0.000 1.342 578 W CA -0.284 57.100 57.345 0.064 0.000 1.218 578 W CB 0.130 29.691 29.460 0.168 0.000 1.205 578 W HN 0.366 nan 8.180 nan 0.000 0.551 579 N N 3.859 122.327 118.700 -0.386 0.000 2.443 579 N HA 0.067 4.810 4.740 0.006 0.000 0.269 579 N C 0.723 175.807 175.510 -0.710 0.000 0.985 579 N CA -0.552 52.165 53.050 -0.555 0.000 0.921 579 N CB 0.595 38.949 38.487 -0.221 0.000 1.195 579 N HN 0.715 nan 8.380 nan 0.000 0.492 580 H N 1.367 119.901 119.070 -0.892 0.000 2.545 580 H HA 0.051 4.610 4.556 0.006 0.000 0.282 580 H C 0.423 175.843 175.328 0.153 0.000 1.020 580 H CA 0.767 56.572 56.048 -0.404 0.000 1.243 580 H CB 0.256 29.744 29.762 -0.457 0.000 1.377 580 H HN 0.476 nan 8.280 nan 0.000 0.581 581 D N -0.026 120.158 120.400 -0.359 0.000 2.369 581 D HA 0.382 5.025 4.640 0.006 0.000 0.211 581 D C -0.080 176.242 176.300 0.037 0.000 1.077 581 D CA 0.353 54.303 54.000 -0.084 0.000 0.842 581 D CB 0.346 40.982 40.800 -0.275 0.000 0.947 581 D HN 0.557 nan 8.370 nan 0.000 0.509 582 A N -0.737 122.120 122.820 0.062 0.000 2.515 582 A HA 0.609 4.932 4.320 0.006 0.000 0.296 582 A C -0.117 177.588 177.584 0.202 0.000 1.094 582 A CA -0.588 51.515 52.037 0.110 0.000 0.718 582 A CB 1.387 20.419 19.000 0.054 0.000 1.307 582 A HN 0.011 nan 8.150 nan 0.000 0.408 583 S N 0.352 116.172 115.700 0.200 0.000 2.560 583 S HA 0.268 4.741 4.470 0.006 0.000 0.276 583 S C 0.462 175.179 174.600 0.195 0.000 1.350 583 S CA -0.168 58.170 58.200 0.231 0.000 1.024 583 S CB -0.399 62.925 63.200 0.207 0.000 0.864 583 S HN 0.568 nan 8.310 nan 0.000 0.536 584 L N 1.984 123.300 121.223 0.154 0.000 2.473 584 L HA 0.128 4.471 4.340 0.006 0.000 0.265 584 L C 0.623 177.417 176.870 -0.127 0.000 1.243 584 L CA -0.194 54.618 54.840 -0.047 0.000 0.822 584 L CB 0.078 41.933 42.059 -0.340 0.000 1.101 584 L HN 0.650 nan 8.230 nan 0.000 0.507 585 D N 0.561 120.880 120.400 -0.134 0.000 2.934 585 D HA 0.019 4.663 4.640 0.006 0.000 0.237 585 D C 0.768 176.756 176.300 -0.521 0.000 1.158 585 D CA 0.208 54.085 54.000 -0.205 0.000 0.971 585 D CB -0.132 40.548 40.800 -0.201 0.000 1.123 585 D HN 0.390 nan 8.370 nan 0.000 0.467 586 W N 0.373 121.498 121.300 -0.290 0.000 2.387 586 W HA -0.177 4.486 4.660 0.006 0.000 0.272 586 W C 2.493 178.763 176.519 -0.414 0.000 1.224 586 W CA 0.578 57.623 57.345 -0.500 0.000 1.210 586 W CB -0.512 28.719 29.460 -0.381 0.000 1.125 586 W HN 0.462 nan 8.180 nan 0.000 0.572 587 H N -0.201 118.846 119.070 -0.038 0.000 2.518 587 H HA -0.127 4.433 4.556 0.006 0.000 0.292 587 H C 1.629 176.884 175.328 -0.120 0.000 1.068 587 H CA 1.380 57.395 56.048 -0.056 0.000 1.275 587 H CB -0.864 28.879 29.762 -0.031 0.000 1.375 587 H HN 0.258 nan 8.280 nan 0.000 0.563 588 L N 0.579 121.358 121.223 -0.739 0.000 2.275 588 L HA -0.065 4.278 4.340 0.006 0.000 0.215 588 L C 2.115 178.748 176.870 -0.395 0.000 1.119 588 L CA 0.558 55.054 54.840 -0.573 0.000 0.790 588 L CB -0.123 41.427 42.059 -0.847 0.000 0.919 588 L HN 0.225 nan 8.230 nan 0.000 0.443 589 L N -0.838 120.150 121.223 -0.392 0.000 2.628 589 L HA 0.130 4.474 4.340 0.006 0.000 0.229 589 L C 0.583 177.446 176.870 -0.012 0.000 1.137 589 L CA -0.155 54.475 54.840 -0.350 0.000 0.909 589 L CB -0.041 41.833 42.059 -0.308 0.000 1.137 589 L HN 0.200 nan 8.230 nan 0.000 0.470 590 E N 0.268 120.478 120.200 0.017 0.000 2.349 590 E HA 0.456 4.809 4.350 0.006 0.000 0.265 590 E C 0.659 177.334 176.600 0.126 0.000 1.064 590 E CA 0.330 56.781 56.400 0.085 0.000 0.886 590 E CB 1.112 30.850 29.700 0.064 0.000 1.036 590 E HN 0.188 nan 8.360 nan 0.000 0.413 591 G N 1.284 110.147 108.800 0.104 0.000 2.584 591 G HA2 -0.192 3.772 3.960 0.006 0.000 0.229 591 G HA3 -0.192 3.772 3.960 0.006 0.000 0.229 591 G C 0.314 175.263 174.900 0.082 0.000 1.320 591 G CA -0.736 44.409 45.100 0.076 0.000 0.891 591 G HN 0.788 nan 8.290 nan 0.000 0.573 592 G N -0.582 108.246 108.800 0.046 0.000 2.664 592 G HA2 0.437 4.400 3.960 0.006 0.000 0.242 592 G HA3 0.437 4.400 3.960 0.006 0.000 0.242 592 G C -0.039 174.873 174.900 0.019 0.000 1.225 592 G CA 0.881 45.989 45.100 0.012 0.000 0.849 592 G HN 0.922 nan 8.290 nan 0.000 0.581 593 D N -0.459 119.916 120.400 -0.042 0.000 2.425 593 D HA 0.288 4.931 4.640 0.006 0.000 0.247 593 D C 0.542 176.926 176.300 0.139 0.000 1.147 593 D CA 0.262 54.235 54.000 -0.046 0.000 0.879 593 D CB 0.445 41.261 40.800 0.027 0.000 1.179 593 D HN 0.562 nan 8.370 nan 0.000 0.456 594 N N 1.506 120.412 118.700 0.343 0.000 3.102 594 N HA 0.294 5.037 4.740 0.006 0.000 0.299 594 N C 0.017 175.442 175.510 -0.142 0.000 1.482 594 N CA -0.844 52.133 53.050 -0.122 0.000 0.785 594 N CB -0.006 38.416 38.487 -0.109 0.000 1.680 594 N HN 0.236 nan 8.380 nan 0.000 0.594 595 W N -0.090 120.889 121.300 -0.535 0.000 2.392 595 W HA -0.031 4.633 4.660 0.006 0.000 0.279 595 W C 1.754 178.104 176.519 -0.282 0.000 1.225 595 W CA 0.931 57.900 57.345 -0.626 0.000 1.233 595 W CB -1.322 27.326 29.460 -1.353 0.000 1.122 595 W HN 0.589 nan 8.180 nan 0.000 0.561 596 H N -1.297 117.872 119.070 0.165 0.000 2.357 596 H HA -0.110 4.449 4.556 0.006 0.000 0.301 596 H C 2.026 177.475 175.328 0.203 0.000 1.082 596 H CA 1.673 57.870 56.048 0.248 0.000 1.342 596 H CB -0.681 29.149 29.762 0.113 0.000 1.389 596 H HN 0.266 nan 8.280 nan 0.000 0.511 597 H N -0.011 119.261 119.070 0.335 0.000 2.387 597 H HA -0.083 4.477 4.556 0.006 0.000 0.299 597 H C 2.520 178.022 175.328 0.289 0.000 1.099 597 H CA 1.046 57.267 56.048 0.288 0.000 1.315 597 H CB -0.559 29.350 29.762 0.244 0.000 1.380 597 H HN 0.428 nan 8.280 nan 0.000 0.513 598 G N 0.729 109.823 108.800 0.490 0.000 2.476 598 G HA2 -0.231 3.733 3.960 0.006 0.000 0.218 598 G HA3 -0.231 3.733 3.960 0.006 0.000 0.218 598 G C 1.959 177.025 174.900 0.277 0.000 1.164 598 G CA 1.401 46.758 45.100 0.428 0.000 0.768 598 G HN 0.300 nan 8.290 nan 0.000 0.560 599 V N 0.348 120.438 119.914 0.293 0.000 2.358 599 V HA -0.194 3.930 4.120 0.006 0.000 0.246 599 V C 2.716 178.913 176.094 0.172 0.000 1.047 599 V CA 2.146 64.582 62.300 0.226 0.000 1.035 599 V CB -0.467 31.572 31.823 0.360 0.000 0.658 599 V HN 0.482 nan 8.190 nan 0.000 0.452 600 Q N 0.093 120.052 119.800 0.265 0.000 2.084 600 Q HA -0.225 4.118 4.340 0.006 0.000 0.202 600 Q C 2.515 178.592 176.000 0.129 0.000 0.978 600 Q CA 1.725 57.681 55.803 0.255 0.000 0.844 600 Q CB -0.045 28.919 28.738 0.375 0.000 0.898 600 Q HN 0.552 nan 8.270 nan 0.000 0.426 601 R N -0.020 120.562 120.500 0.135 0.000 2.096 601 R HA -0.162 4.182 4.340 0.006 0.000 0.235 601 R C 2.386 178.648 176.300 -0.064 0.000 1.127 601 R CA 1.130 57.281 56.100 0.085 0.000 0.968 601 R CB -0.370 29.992 30.300 0.103 0.000 0.861 601 R HN 0.269 nan 8.270 nan 0.000 0.440 602 L N 0.677 121.707 121.223 -0.322 0.000 2.027 602 L HA -0.118 4.225 4.340 0.006 0.000 0.206 602 L C 2.044 178.598 176.870 -0.527 0.000 1.074 602 L CA 1.579 55.957 54.840 -0.771 0.000 0.745 602 L CB -0.399 41.124 42.059 -0.894 0.000 0.898 602 L HN -0.129 nan 8.230 nan 0.000 0.433 603 V N 0.371 120.037 119.914 -0.413 0.000 2.343 603 V HA -0.295 3.828 4.120 0.006 0.000 0.247 603 V C 2.813 178.572 176.094 -0.559 0.000 1.051 603 V CA 2.167 64.115 62.300 -0.586 0.000 1.036 603 V CB -0.832 30.758 31.823 -0.388 0.000 0.654 603 V HN 0.576 nan 8.190 nan 0.000 0.451 604 R N 0.287 120.569 120.500 -0.363 0.000 2.080 604 R HA -0.204 4.139 4.340 0.006 0.000 0.236 604 R C 2.018 178.125 176.300 -0.322 0.000 1.137 604 R CA 2.288 58.174 56.100 -0.356 0.000 0.943 604 R CB -0.451 29.683 30.300 -0.277 0.000 0.846 604 R HN 0.476 nan 8.270 nan 0.000 0.431 605 D N 0.427 120.678 120.400 -0.248 0.000 2.178 605 D HA -0.145 4.499 4.640 0.006 0.000 0.201 605 D C 1.789 177.944 176.300 -0.242 0.000 0.980 605 D CA 0.729 54.621 54.000 -0.180 0.000 0.842 605 D CB -0.079 40.690 40.800 -0.051 0.000 0.948 605 D HN 0.164 nan 8.370 nan 0.000 0.472 606 L N 1.050 122.015 121.223 -0.429 0.000 2.027 606 L HA -0.082 4.262 4.340 0.006 0.000 0.206 606 L C 1.904 178.653 176.870 -0.203 0.000 1.074 606 L CA 1.367 55.900 54.840 -0.512 0.000 0.745 606 L CB -1.023 40.397 42.059 -1.065 0.000 0.898 606 L HN -0.007 nan 8.230 nan 0.000 0.433 607 N N -0.295 118.246 118.700 -0.266 0.000 2.043 607 N HA -0.161 4.582 4.740 0.006 0.000 0.193 607 N C 1.912 177.514 175.510 0.155 0.000 1.037 607 N CA 1.366 54.466 53.050 0.083 0.000 0.851 607 N CB -0.405 37.966 38.487 -0.194 0.000 1.027 607 N HN 0.282 nan 8.380 nan 0.000 0.422 608 L N 0.440 121.654 121.223 -0.015 0.000 2.141 608 L HA -0.096 4.247 4.340 0.006 0.000 0.209 608 L C 2.033 178.967 176.870 0.108 0.000 1.094 608 L CA 1.029 55.864 54.840 -0.008 0.000 0.763 608 L CB -0.718 41.267 42.059 -0.123 0.000 0.908 608 L HN 0.170 nan 8.230 nan 0.000 0.437 609 T N -1.396 113.263 114.554 0.175 0.000 2.896 609 T HA -0.181 4.172 4.350 0.006 0.000 0.263 609 T C 1.678 176.718 174.700 0.568 0.000 1.050 609 T CA 1.010 63.321 62.100 0.352 0.000 1.140 609 T CB -0.271 68.780 68.868 0.305 0.000 0.877 609 T HN 0.345 nan 8.240 nan 0.000 0.457 610 Y N 2.523 123.092 120.300 0.448 0.000 2.184 610 Y HA 0.133 4.686 4.550 0.006 0.000 0.290 610 Y C 1.099 177.232 175.900 0.387 0.000 1.129 610 Y CA 0.511 58.899 58.100 0.479 0.000 1.144 610 Y CB -0.211 38.588 38.460 0.565 0.000 0.995 610 Y HN -0.029 nan 8.280 nan 0.000 0.513 611 R N -0.434 120.106 120.500 0.067 0.000 2.801 611 R HA 0.166 4.510 4.340 0.006 0.000 0.273 611 R C 0.396 176.793 176.300 0.162 0.000 1.080 611 R CA 0.807 56.863 56.100 -0.074 0.000 1.197 611 R CB 0.186 30.472 30.300 -0.022 0.000 1.109 611 R HN 0.632 nan 8.270 nan 0.000 0.535 612 H N -1.276 117.807 119.070 0.021 0.000 4.704 612 H HA -0.203 4.356 4.556 0.006 0.000 0.076 612 H C -0.674 174.567 175.328 -0.144 0.000 0.613 612 H CA 1.548 57.556 56.048 -0.066 0.000 0.957 612 H CB -0.917 28.775 29.762 -0.117 0.000 0.418 612 H HN 0.668 nan 8.280 nan 0.000 0.800 613 H N 2.341 121.443 119.070 0.052 0.000 2.741 613 H HA 0.224 4.783 4.556 0.006 0.000 0.282 613 H C 1.058 176.244 175.328 -0.236 0.000 1.122 613 H CA 0.170 56.172 56.048 -0.077 0.000 1.293 613 H CB 1.292 31.079 29.762 0.042 0.000 1.415 613 H HN 0.344 nan 8.280 nan 0.000 0.472 614 K N 2.606 122.836 120.400 -0.283 0.000 2.144 614 K HA -0.231 4.093 4.320 0.006 0.000 0.209 614 K C 2.124 178.407 176.600 -0.528 0.000 1.047 614 K CA 1.626 57.537 56.287 -0.627 0.000 0.927 614 K CB -0.007 32.288 32.500 -0.341 0.000 0.716 614 K HN 0.635 nan 8.250 nan 0.000 0.454 615 A N 0.626 123.292 122.820 -0.258 0.000 1.948 615 A HA -0.228 4.095 4.320 0.006 0.000 0.220 615 A C 1.892 179.343 177.584 -0.222 0.000 1.177 615 A CA 1.927 53.837 52.037 -0.211 0.000 0.636 615 A CB -0.467 18.442 19.000 -0.150 0.000 0.815 615 A HN 0.185 nan 8.150 nan 0.000 0.449 616 M N -0.580 118.904 119.600 -0.193 0.000 2.460 616 M HA -0.067 4.417 4.480 0.006 0.000 0.263 616 M C 1.348 177.654 176.300 0.010 0.000 1.071 616 M CA 1.930 57.180 55.300 -0.084 0.000 1.096 616 M CB -1.325 31.320 32.600 0.074 0.000 1.408 616 M HN 0.935 nan 8.290 nan 0.000 0.463 617 H N -3.832 115.162 119.070 -0.127 0.000 3.787 617 H HA 0.353 4.913 4.556 0.006 0.000 0.262 617 H C 1.346 176.597 175.328 -0.129 0.000 1.181 617 H CA -0.159 55.802 56.048 -0.144 0.000 1.159 617 H CB -0.325 29.238 29.762 -0.332 0.000 1.563 617 H HN 0.217 nan 8.280 nan 0.000 0.699 618 E N 0.351 120.407 120.200 -0.240 0.000 2.107 618 E HA 0.031 4.385 4.350 0.006 0.000 0.191 618 E C -0.082 176.490 176.600 -0.048 0.000 0.982 618 E CA 0.661 57.002 56.400 -0.097 0.000 0.809 618 E CB 0.382 29.993 29.700 -0.148 0.000 0.756 618 E HN 0.209 nan 8.360 nan 0.000 0.459 619 L N 1.305 122.465 121.223 -0.105 0.000 3.083 619 L HA 0.117 4.461 4.340 0.006 0.000 0.286 619 L C 0.211 176.979 176.870 -0.170 0.000 1.307 619 L CA 0.112 54.908 54.840 -0.072 0.000 0.897 619 L CB 0.817 42.872 42.059 -0.007 0.000 1.306 619 L HN -0.103 nan 8.230 nan 0.000 0.569 620 D N 0.170 120.324 120.400 -0.411 0.000 2.149 620 D HA -0.165 4.478 4.640 0.006 0.000 0.198 620 D C 1.317 177.319 176.300 -0.496 0.000 0.990 620 D CA 1.841 55.443 54.000 -0.663 0.000 0.839 620 D CB 0.136 40.197 40.800 -1.231 0.000 0.948 620 D HN 0.405 nan 8.370 nan 0.000 0.460 621 F N -0.300 119.670 119.950 0.032 0.000 2.647 621 F HA 0.195 4.726 4.527 0.006 0.000 0.300 621 F C 0.579 176.520 175.800 0.234 0.000 1.106 621 F CA -0.669 57.364 58.000 0.055 0.000 1.313 621 F CB 0.765 39.702 39.000 -0.106 0.000 1.007 621 F HN -0.316 nan 8.300 nan 0.000 0.536 622 D N 0.749 121.351 120.400 0.337 0.000 2.696 622 D HA 0.221 4.864 4.640 0.006 0.000 0.251 622 D C -2.008 174.293 176.300 0.002 0.000 1.188 622 D CA -2.293 51.784 54.000 0.129 0.000 0.876 622 D CB 2.546 43.407 40.800 0.102 0.000 1.334 622 D HN -0.233 nan 8.370 nan 0.000 0.540 623 P HA -0.204 nan 4.420 nan 0.000 0.217 623 P C 1.262 178.540 177.300 -0.037 0.000 1.148 623 P CA 0.935 63.788 63.100 -0.412 0.000 0.834 623 P CB 0.020 31.457 31.700 -0.437 0.000 0.783 624 Y N 0.955 121.184 120.300 -0.118 0.000 2.384 624 Y HA -0.040 4.514 4.550 0.006 0.000 0.289 624 Y C 2.296 178.165 175.900 -0.052 0.000 1.152 624 Y CA 1.469 59.527 58.100 -0.070 0.000 1.258 624 Y CB -1.052 37.371 38.460 -0.061 0.000 0.979 624 Y HN -0.085 nan 8.280 nan 0.000 0.549 625 G N -1.684 107.094 108.800 -0.037 0.000 2.920 625 G HA2 -0.005 3.958 3.960 0.006 0.000 0.208 625 G HA3 -0.005 3.958 3.960 0.006 0.000 0.208 625 G C -0.471 174.368 174.900 -0.100 0.000 1.159 625 G CA 0.082 45.113 45.100 -0.116 0.000 0.784 625 G HN 0.298 nan 8.290 nan 0.000 0.535 626 F N -0.442 119.339 119.950 -0.281 0.000 2.622 626 F HA 0.562 5.093 4.527 0.006 0.000 0.318 626 F C -1.514 174.083 175.800 -0.339 0.000 1.135 626 F CA -1.142 56.629 58.000 -0.381 0.000 1.015 626 F CB 1.843 40.522 39.000 -0.536 0.000 1.275 626 F HN -0.004 nan 8.300 nan 0.000 0.457 627 E N 5.530 125.172 120.200 -0.931 0.000 2.291 627 E HA 0.229 4.583 4.350 0.006 0.000 0.276 627 E C -1.862 174.319 176.600 -0.698 0.000 0.896 627 E CA -0.722 55.318 56.400 -0.601 0.000 0.774 627 E CB 1.121 30.681 29.700 -0.233 0.000 1.227 627 E HN 0.683 nan 8.360 nan 0.000 0.413 628 W N 5.256 126.393 121.300 -0.271 0.000 2.322 628 W HA 0.082 4.745 4.660 0.006 0.000 0.328 628 W C 1.023 177.514 176.519 -0.047 0.000 1.395 628 W CA -0.307 56.990 57.345 -0.080 0.000 1.267 628 W CB 0.502 30.023 29.460 0.102 0.000 1.259 628 W HN 0.581 nan 8.180 nan 0.000 0.560 629 L N 3.113 124.465 121.223 0.216 0.000 2.316 629 L HA 0.150 4.494 4.340 0.006 0.000 0.207 629 L C 0.286 177.188 176.870 0.052 0.000 1.070 629 L CA 0.447 55.350 54.840 0.105 0.000 0.820 629 L CB -0.305 41.774 42.059 0.034 0.000 0.992 629 L HN 0.115 nan 8.230 nan 0.000 0.466 630 V N 0.225 120.208 119.914 0.117 0.000 2.498 630 V HA 0.160 4.283 4.120 0.006 0.000 0.283 630 V C 0.334 176.521 176.094 0.155 0.000 1.015 630 V CA -0.115 62.212 62.300 0.046 0.000 0.867 630 V CB 2.327 34.131 31.823 -0.031 0.000 1.025 630 V HN -0.092 nan 8.190 nan 0.000 0.441 631 V N 2.235 122.174 119.914 0.042 0.000 3.661 631 V HA 0.177 4.301 4.120 0.006 0.000 0.271 631 V C 1.219 177.295 176.094 -0.030 0.000 1.315 631 V CA 1.126 63.289 62.300 -0.228 0.000 1.072 631 V CB 0.668 32.128 31.823 -0.606 0.000 0.830 631 V HN 0.865 nan 8.190 nan 0.000 0.443 632 D N -0.345 120.075 120.400 0.034 0.000 2.379 632 D HA 0.073 4.717 4.640 0.006 0.000 0.208 632 D C 0.528 176.773 176.300 -0.091 0.000 1.065 632 D CA 0.102 54.093 54.000 -0.016 0.000 0.848 632 D CB 0.231 41.045 40.800 0.024 0.000 0.949 632 D HN 0.329 nan 8.370 nan 0.000 0.509 633 D N 1.494 121.899 120.400 0.008 0.000 2.662 633 D HA -0.005 4.639 4.640 0.006 0.000 0.228 633 D C 1.134 177.318 176.300 -0.193 0.000 1.093 633 D CA 0.168 54.176 54.000 0.014 0.000 1.075 633 D CB 0.108 41.032 40.800 0.206 0.000 1.122 633 D HN 0.106 nan 8.370 nan 0.000 0.475 634 K N 0.782 120.905 120.400 -0.462 0.000 2.062 634 K HA -0.123 4.200 4.320 0.006 0.000 0.205 634 K C 1.753 178.238 176.600 -0.191 0.000 1.051 634 K CA 0.548 56.473 56.287 -0.604 0.000 0.941 634 K CB 0.249 32.444 32.500 -0.508 0.000 0.719 634 K HN 0.252 nan 8.250 nan 0.000 0.440 635 E N 1.687 121.810 120.200 -0.128 0.000 2.048 635 E HA -0.218 4.135 4.350 0.006 0.000 0.202 635 E C 1.562 178.143 176.600 -0.031 0.000 1.021 635 E CA 1.583 57.938 56.400 -0.076 0.000 0.825 635 E CB 0.122 29.802 29.700 -0.034 0.000 0.756 635 E HN 0.163 nan 8.360 nan 0.000 0.454 636 R N -0.143 120.374 120.500 0.028 0.000 2.320 636 R HA 0.166 4.510 4.340 0.006 0.000 0.211 636 R C 0.076 176.435 176.300 0.098 0.000 0.931 636 R CA 0.541 56.683 56.100 0.070 0.000 1.071 636 R CB 0.328 30.708 30.300 0.134 0.000 1.025 636 R HN 0.026 nan 8.270 nan 0.000 0.495 637 S N 0.370 116.151 115.700 0.135 0.000 3.491 637 S HA -0.118 4.355 4.470 0.006 0.000 0.371 637 S C 0.025 174.786 174.600 0.268 0.000 0.980 637 S CA 0.546 58.916 58.200 0.282 0.000 1.204 637 S CB -1.165 62.209 63.200 0.289 0.000 0.915 637 S HN 0.135 nan 8.310 nan 0.000 0.482 638 V N 1.506 121.545 119.914 0.207 0.000 2.435 638 V HA 0.631 4.754 4.120 0.006 0.000 0.290 638 V C 0.085 176.290 176.094 0.186 0.000 1.030 638 V CA -0.564 61.786 62.300 0.083 0.000 0.881 638 V CB 1.659 33.412 31.823 -0.118 0.000 0.983 638 V HN 0.357 nan 8.190 nan 0.000 0.445 639 L N 6.316 127.644 121.223 0.176 0.000 2.410 639 L HA 0.675 5.018 4.340 0.006 0.000 0.270 639 L C -0.680 176.364 176.870 0.290 0.000 0.983 639 L CA -0.013 55.033 54.840 0.345 0.000 0.822 639 L CB 1.975 44.360 42.059 0.544 0.000 1.285 639 L HN 0.443 nan 8.230 nan 0.000 0.409 640 I N 3.316 124.052 120.570 0.277 0.000 2.607 640 I HA 0.582 4.755 4.170 0.006 0.000 0.290 640 I C -1.034 175.164 176.117 0.134 0.000 1.129 640 I CA -0.528 60.753 61.300 -0.030 0.000 1.042 640 I CB 1.839 39.574 38.000 -0.441 0.000 1.242 640 I HN 0.508 nan 8.210 nan 0.000 0.421 641 F N 4.606 124.475 119.950 -0.136 0.000 2.692 641 F HA 0.862 5.392 4.527 0.006 0.000 0.320 641 F C -1.600 173.914 175.800 -0.476 0.000 1.123 641 F CA -1.262 56.486 58.000 -0.419 0.000 0.961 641 F CB 1.087 39.525 39.000 -0.936 0.000 1.383 641 F HN 0.042 nan 8.300 nan 0.000 0.483 642 V N 2.298 122.060 119.914 -0.253 0.000 2.555 642 V HA 0.615 4.738 4.120 0.006 0.000 0.302 642 V C -0.519 175.431 176.094 -0.240 0.000 1.038 642 V CA -0.729 61.424 62.300 -0.244 0.000 0.887 642 V CB 1.819 33.511 31.823 -0.220 0.000 0.991 642 V HN 0.701 nan 8.190 nan 0.000 0.434 643 R N 3.332 123.724 120.500 -0.180 0.000 2.720 643 R HA 0.715 5.059 4.340 0.006 0.000 0.272 643 R C -0.546 175.635 176.300 -0.197 0.000 0.991 643 R CA -0.853 55.136 56.100 -0.185 0.000 1.010 643 R CB 1.882 32.080 30.300 -0.170 0.000 1.141 643 R HN 0.721 nan 8.270 nan 0.000 0.494 644 R N 0.779 121.146 120.500 -0.222 0.000 2.584 644 R HA 0.187 4.530 4.340 0.006 0.000 0.276 644 R C -1.198 174.970 176.300 -0.221 0.000 1.046 644 R CA -0.526 55.421 56.100 -0.256 0.000 0.906 644 R CB 1.186 31.228 30.300 -0.431 0.000 1.215 644 R HN 0.742 nan 8.270 nan 0.000 0.449 645 D N 1.866 122.167 120.400 -0.165 0.000 2.478 645 D HA 0.186 4.829 4.640 0.006 0.000 0.263 645 D C 0.238 176.533 176.300 -0.009 0.000 1.153 645 D CA -0.610 53.326 54.000 -0.107 0.000 1.038 645 D CB 0.795 41.526 40.800 -0.116 0.000 1.120 645 D HN 0.453 nan 8.370 nan 0.000 0.564 646 K N -1.170 119.245 120.400 0.026 0.000 2.280 646 K HA -0.125 4.199 4.320 0.006 0.000 0.202 646 K C 1.064 177.725 176.600 0.102 0.000 1.047 646 K CA 1.146 57.489 56.287 0.094 0.000 0.942 646 K CB 0.013 32.539 32.500 0.043 0.000 0.739 646 K HN 0.365 nan 8.250 nan 0.000 0.457 647 E N -1.204 119.026 120.200 0.049 0.000 2.474 647 E HA 0.068 4.421 4.350 0.006 0.000 0.195 647 E C 0.635 177.267 176.600 0.054 0.000 1.039 647 E CA 0.444 56.867 56.400 0.038 0.000 0.881 647 E CB 0.791 30.490 29.700 -0.001 0.000 0.970 647 E HN 0.370 nan 8.360 nan 0.000 0.486 648 G N 0.601 109.446 108.800 0.075 0.000 2.176 648 G HA2 -0.274 3.690 3.960 0.006 0.000 0.253 648 G HA3 -0.274 3.690 3.960 0.006 0.000 0.253 648 G C 0.008 174.888 174.900 -0.034 0.000 0.979 648 G CA -0.045 45.082 45.100 0.044 0.000 0.641 648 G HN 0.209 nan 8.290 nan 0.000 0.530 649 N N 1.892 120.566 118.700 -0.043 0.000 2.492 649 N HA 0.391 5.135 4.740 0.006 0.000 0.262 649 N C 0.322 175.793 175.510 -0.064 0.000 1.202 649 N CA 0.972 53.990 53.050 -0.053 0.000 0.926 649 N CB 0.753 39.208 38.487 -0.053 0.000 1.078 649 N HN 0.866 nan 8.380 nan 0.000 0.454 650 E N 1.186 121.378 120.200 -0.014 0.000 2.317 650 E HA 0.531 4.885 4.350 0.006 0.000 0.270 650 E C -1.011 175.652 176.600 0.106 0.000 0.885 650 E CA -0.736 55.668 56.400 0.007 0.000 0.760 650 E CB 1.537 31.232 29.700 -0.008 0.000 1.227 650 E HN 0.353 nan 8.360 nan 0.000 0.434 651 I N 2.910 123.484 120.570 0.008 0.000 2.378 651 I HA 0.309 4.482 4.170 0.006 0.000 0.291 651 I C -0.145 175.932 176.117 -0.067 0.000 0.992 651 I CA -0.942 60.376 61.300 0.030 0.000 1.154 651 I CB 1.497 39.423 38.000 -0.124 0.000 1.315 651 I HN 0.474 nan 8.210 nan 0.000 0.448 652 I N 6.752 127.307 120.570 -0.024 0.000 2.416 652 I HA 0.219 4.393 4.170 0.006 0.000 0.288 652 I C -0.437 175.527 176.117 -0.256 0.000 1.051 652 I CA -0.446 60.727 61.300 -0.213 0.000 1.375 652 I CB 0.975 38.803 38.000 -0.286 0.000 1.407 652 I HN 0.176 nan 8.210 nan 0.000 0.516 653 V N 6.109 125.721 119.914 -0.503 0.000 2.409 653 V HA 0.693 4.817 4.120 0.006 0.000 0.291 653 V C 0.088 175.865 176.094 -0.528 0.000 1.020 653 V CA -0.479 61.479 62.300 -0.570 0.000 0.848 653 V CB 1.472 32.615 31.823 -1.133 0.000 0.990 653 V HN 0.849 nan 8.190 nan 0.000 0.430 654 A N 3.662 126.338 122.820 -0.241 0.000 2.356 654 A HA 0.883 5.206 4.320 0.006 0.000 0.310 654 A C -0.348 177.178 177.584 -0.097 0.000 1.075 654 A CA -0.469 51.431 52.037 -0.228 0.000 0.746 654 A CB 1.711 20.513 19.000 -0.331 0.000 1.221 654 A HN 0.673 nan 8.150 nan 0.000 0.443 655 S N 1.166 116.830 115.700 -0.060 0.000 2.500 655 S HA 0.468 4.941 4.470 0.006 0.000 0.301 655 S C -0.433 173.956 174.600 -0.353 0.000 1.092 655 S CA -0.710 57.357 58.200 -0.221 0.000 1.030 655 S CB 1.307 64.380 63.200 -0.212 0.000 1.031 655 S HN 0.770 nan 8.310 nan 0.000 0.483 656 N N 1.820 120.248 118.700 -0.453 0.000 2.518 656 N HA 0.358 5.101 4.740 0.006 0.000 0.254 656 N C -0.906 174.383 175.510 -0.369 0.000 0.979 656 N CA -0.407 52.454 53.050 -0.314 0.000 0.930 656 N CB 0.398 38.749 38.487 -0.226 0.000 1.152 656 N HN 0.502 nan 8.380 nan 0.000 0.505 657 F N 1.545 121.496 119.950 0.003 0.000 2.660 657 F HA 0.109 4.640 4.527 0.006 0.000 0.302 657 F C 1.339 177.120 175.800 -0.031 0.000 1.103 657 F CA -0.308 57.698 58.000 0.010 0.000 1.340 657 F CB 0.541 39.601 39.000 0.101 0.000 1.048 657 F HN 0.341 nan 8.300 nan 0.000 0.551 658 T N -2.831 111.767 114.554 0.073 0.000 2.949 658 T HA 0.364 4.718 4.350 0.006 0.000 0.287 658 T C -2.286 172.404 174.700 -0.016 0.000 1.034 658 T CA -2.375 59.733 62.100 0.012 0.000 1.018 658 T CB 2.093 70.960 68.868 -0.002 0.000 1.135 658 T HN -0.226 nan 8.240 nan 0.000 0.532 659 P HA 0.234 nan 4.420 nan 0.000 0.253 659 P C -0.328 176.983 177.300 0.017 0.000 1.459 659 P CA -0.229 62.867 63.100 -0.006 0.000 0.908 659 P CB -0.220 31.469 31.700 -0.018 0.000 1.470 660 V N 2.771 122.687 119.914 0.004 0.000 2.364 660 V HA 0.255 4.378 4.120 0.006 0.000 0.272 660 V C -2.154 173.930 176.094 -0.016 0.000 1.036 660 V CA -2.124 60.184 62.300 0.012 0.000 0.880 660 V CB 0.937 32.770 31.823 0.016 0.000 0.991 660 V HN 0.002 nan 8.190 nan 0.000 0.460 661 P HA 0.261 nan 4.420 nan 0.000 0.271 661 P C -0.645 176.530 177.300 -0.208 0.000 1.216 661 P CA -0.275 62.742 63.100 -0.139 0.000 0.776 661 P CB 0.493 32.121 31.700 -0.119 0.000 0.881 662 R N 2.825 123.162 120.500 -0.271 0.000 2.360 662 R HA 0.415 4.759 4.340 0.006 0.000 0.318 662 R C -0.065 176.110 176.300 -0.207 0.000 0.950 662 R CA -0.408 55.611 56.100 -0.134 0.000 0.837 662 R CB 0.735 31.043 30.300 0.012 0.000 1.165 662 R HN 0.641 nan 8.270 nan 0.000 0.458 663 H N 1.673 120.818 119.070 0.125 0.000 2.499 663 H HA 0.173 4.733 4.556 0.006 0.000 0.340 663 H C -0.088 175.320 175.328 0.134 0.000 1.148 663 H CA -0.389 55.726 56.048 0.112 0.000 1.215 663 H CB 1.594 31.401 29.762 0.076 0.000 1.529 663 H HN 0.500 nan 8.280 nan 0.000 0.510 664 D N 0.786 121.333 120.400 0.246 0.000 2.686 664 D HA -0.295 4.348 4.640 0.006 0.000 0.235 664 D C -0.336 176.074 176.300 0.185 0.000 1.160 664 D CA 0.692 54.797 54.000 0.175 0.000 0.645 664 D CB -1.735 39.136 40.800 0.118 0.000 1.039 664 D HN 0.483 nan 8.370 nan 0.000 0.423 665 Y N 1.287 121.662 120.300 0.126 0.000 2.486 665 Y HA 0.215 4.769 4.550 0.006 0.000 0.348 665 Y C 0.803 176.830 175.900 0.212 0.000 1.000 665 Y CA -0.563 57.632 58.100 0.159 0.000 1.253 665 Y CB 0.519 39.071 38.460 0.153 0.000 1.140 665 Y HN -0.013 nan 8.280 nan 0.000 0.526 666 R N 7.436 127.960 120.500 0.040 0.000 2.265 666 R HA 0.462 4.806 4.340 0.006 0.000 0.319 666 R C -1.701 174.725 176.300 0.210 0.000 1.006 666 R CA -0.444 55.691 56.100 0.057 0.000 0.880 666 R CB 0.364 30.650 30.300 -0.024 0.000 1.077 666 R HN 0.642 nan 8.270 nan 0.000 0.454 667 F N 0.885 120.931 119.950 0.161 0.000 2.599 667 F HA 0.654 5.185 4.527 0.006 0.000 0.311 667 F C 0.014 175.895 175.800 0.135 0.000 1.076 667 F CA -1.365 56.748 58.000 0.189 0.000 0.937 667 F CB 0.934 39.968 39.000 0.057 0.000 1.282 667 F HN 0.524 nan 8.300 nan 0.000 0.460 668 G N 1.681 110.663 108.800 0.304 0.000 2.491 668 G HA2 0.476 4.439 3.960 0.006 0.000 0.242 668 G HA3 0.476 4.439 3.960 0.006 0.000 0.242 668 G C -0.745 174.205 174.900 0.084 0.000 1.266 668 G CA -0.411 44.775 45.100 0.143 0.000 0.844 668 G HN 1.034 nan 8.290 nan 0.000 0.571 669 I N -1.490 119.082 120.570 0.004 0.000 3.145 669 I HA 0.555 4.728 4.170 0.006 0.000 0.313 669 I C 0.087 176.224 176.117 0.034 0.000 1.122 669 I CA -1.434 59.851 61.300 -0.024 0.000 0.987 669 I CB 2.304 40.186 38.000 -0.197 0.000 1.236 669 I HN 0.276 nan 8.210 nan 0.000 0.453 670 N N 0.508 119.228 118.700 0.034 0.000 2.454 670 N HA 0.084 4.827 4.740 0.006 0.000 0.177 670 N C -0.334 175.220 175.510 0.074 0.000 1.049 670 N CA 0.561 53.647 53.050 0.058 0.000 0.887 670 N CB 0.206 38.719 38.487 0.044 0.000 1.095 670 N HN 0.636 nan 8.380 nan 0.000 0.446 671 Q N 1.209 121.105 119.800 0.160 0.000 2.571 671 Q HA 0.381 4.724 4.340 0.006 0.000 0.243 671 Q C -2.538 173.598 176.000 0.226 0.000 1.055 671 Q CA -1.762 54.144 55.803 0.171 0.000 0.815 671 Q CB 1.850 30.707 28.738 0.199 0.000 1.151 671 Q HN 0.079 nan 8.270 nan 0.000 0.519 672 P HA 0.232 nan 4.420 nan 0.000 0.270 672 P C 0.332 177.612 177.300 -0.033 0.000 1.227 672 P CA 0.258 63.342 63.100 -0.026 0.000 0.788 672 P CB 0.851 32.315 31.700 -0.395 0.000 0.926 673 G N 0.099 108.809 108.800 -0.150 0.000 2.247 673 G HA2 -0.010 3.953 3.960 0.006 0.000 0.229 673 G HA3 -0.010 3.953 3.960 0.006 0.000 0.229 673 G C -1.546 173.039 174.900 -0.525 0.000 1.345 673 G CA -0.756 44.096 45.100 -0.413 0.000 1.100 673 G HN 0.449 nan 8.290 nan 0.000 0.473 674 K N -0.013 120.147 120.400 -0.400 0.000 2.240 674 K HA 0.495 4.818 4.320 0.006 0.000 0.271 674 K C -1.380 175.039 176.600 -0.302 0.000 1.018 674 K CA -0.203 55.958 56.287 -0.210 0.000 0.874 674 K CB 1.578 34.019 32.500 -0.099 0.000 1.098 674 K HN 0.397 nan 8.250 nan 0.000 0.458 675 W N 2.424 123.688 121.300 -0.060 0.000 2.689 675 W HA 0.413 5.076 4.660 0.006 0.000 0.340 675 W C -0.076 176.450 176.519 0.010 0.000 1.060 675 W CA -0.661 56.671 57.345 -0.021 0.000 1.218 675 W CB 1.557 31.010 29.460 -0.012 0.000 1.410 675 W HN 0.526 nan 8.180 nan 0.000 0.528 676 R N 0.154 120.799 120.500 0.240 0.000 2.668 676 R HA 0.528 4.871 4.340 0.006 0.000 0.272 676 R C -1.172 175.225 176.300 0.162 0.000 1.019 676 R CA -1.112 55.083 56.100 0.159 0.000 0.894 676 R CB 1.509 31.860 30.300 0.084 0.000 1.228 676 R HN 0.393 nan 8.270 nan 0.000 0.460 677 E N 1.981 122.257 120.200 0.128 0.000 2.376 677 E HA 0.073 4.427 4.350 0.006 0.000 0.266 677 E C 0.402 177.056 176.600 0.089 0.000 1.009 677 E CA 0.116 56.584 56.400 0.112 0.000 0.902 677 E CB 0.742 30.485 29.700 0.073 0.000 0.972 677 E HN 0.671 nan 8.360 nan 0.000 0.439 678 I N 0.828 121.462 120.570 0.107 0.000 4.227 678 I HA 0.320 4.493 4.170 0.006 0.000 0.334 678 I C -0.128 176.006 176.117 0.029 0.000 1.341 678 I CA -0.215 61.138 61.300 0.089 0.000 1.123 678 I CB 0.531 38.610 38.000 0.130 0.000 1.097 678 I HN 0.227 nan 8.210 nan 0.000 0.399 679 L N 1.193 122.404 121.223 -0.020 0.000 2.565 679 L HA 0.526 4.870 4.340 0.006 0.000 0.261 679 L C -1.876 174.900 176.870 -0.157 0.000 0.932 679 L CA -0.245 54.474 54.840 -0.202 0.000 0.878 679 L CB 2.236 43.882 42.059 -0.688 0.000 1.333 679 L HN 0.224 nan 8.230 nan 0.000 0.409 680 N N 1.161 119.819 118.700 -0.069 0.000 2.571 680 N HA 0.207 4.951 4.740 0.006 0.000 0.286 680 N C 0.424 176.005 175.510 0.118 0.000 1.138 680 N CA 0.217 53.265 53.050 -0.004 0.000 0.859 680 N CB 1.511 40.000 38.487 0.002 0.000 1.414 680 N HN 0.736 nan 8.380 nan 0.000 0.529 681 T N -0.561 114.030 114.554 0.063 0.000 3.072 681 T HA -0.087 4.266 4.350 0.006 0.000 0.266 681 T C 0.939 175.749 174.700 0.184 0.000 1.127 681 T CA 0.982 63.154 62.100 0.120 0.000 1.107 681 T CB -0.062 68.815 68.868 0.016 0.000 0.910 681 T HN 0.430 nan 8.240 nan 0.000 0.513 682 D N 1.245 121.709 120.400 0.107 0.000 2.339 682 D HA 0.174 4.818 4.640 0.006 0.000 0.217 682 D C 0.612 176.937 176.300 0.041 0.000 1.050 682 D CA -0.115 53.928 54.000 0.071 0.000 0.856 682 D CB -0.029 40.788 40.800 0.029 0.000 0.922 682 D HN 0.386 nan 8.370 nan 0.000 0.518 683 S N 0.067 115.775 115.700 0.014 0.000 2.558 683 S HA -0.062 4.411 4.470 0.006 0.000 0.291 683 S C 1.720 176.231 174.600 -0.148 0.000 1.306 683 S CA -0.260 57.855 58.200 -0.143 0.000 1.056 683 S CB 0.346 63.313 63.200 -0.388 0.000 0.836 683 S HN 0.313 nan 8.310 nan 0.000 0.504 684 M N 3.570 123.096 119.600 -0.123 0.000 2.346 684 M HA -0.057 4.427 4.480 0.006 0.000 0.263 684 M C 1.568 177.741 176.300 -0.212 0.000 1.064 684 M CA 2.072 57.300 55.300 -0.119 0.000 1.083 684 M CB -0.790 31.763 32.600 -0.077 0.000 1.399 684 M HN 0.847 nan 8.290 nan 0.000 0.435 685 H N 0.183 119.001 119.070 -0.420 0.000 2.489 685 H HA -0.112 4.448 4.556 0.006 0.000 0.293 685 H C 0.164 175.262 175.328 -0.384 0.000 1.066 685 H CA 1.568 57.335 56.048 -0.469 0.000 1.305 685 H CB -0.010 29.393 29.762 -0.599 0.000 1.386 685 H HN 0.632 nan 8.280 nan 0.000 0.551 686 Y N -1.712 118.508 120.300 -0.132 0.000 2.584 686 Y HA 0.226 4.779 4.550 0.006 0.000 0.254 686 Y C 0.201 176.100 175.900 -0.001 0.000 1.177 686 Y CA -0.214 57.833 58.100 -0.088 0.000 1.216 686 Y CB -0.667 37.786 38.460 -0.011 0.000 1.172 686 Y HN 0.253 nan 8.280 nan 0.000 0.529 687 H N -2.031 117.091 119.070 0.087 0.000 3.022 687 H HA -0.121 4.439 4.556 0.006 0.000 0.258 687 H C 1.336 176.628 175.328 -0.059 0.000 1.212 687 H CA 0.308 56.375 56.048 0.032 0.000 1.126 687 H CB -1.153 28.659 29.762 0.083 0.000 1.267 687 H HN 0.537 nan 8.280 nan 0.000 0.345 688 G N -0.108 108.726 108.800 0.056 0.000 2.651 688 G HA2 0.288 4.251 3.960 0.006 0.000 0.260 688 G HA3 0.288 4.251 3.960 0.006 0.000 0.260 688 G C 1.084 175.992 174.900 0.014 0.000 1.216 688 G CA -0.071 45.049 45.100 0.034 0.000 0.913 688 G HN 0.493 nan 8.290 nan 0.000 0.535 689 S N -0.995 114.716 115.700 0.019 0.000 2.603 689 S HA -0.073 4.401 4.470 0.006 0.000 0.229 689 S C 1.213 175.818 174.600 0.007 0.000 0.972 689 S CA 0.850 59.057 58.200 0.012 0.000 0.935 689 S CB -0.526 62.687 63.200 0.022 0.000 0.769 689 S HN 0.855 nan 8.310 nan 0.000 0.536 690 N N 0.256 118.955 118.700 -0.001 0.000 2.741 690 N HA -0.194 4.549 4.740 0.006 0.000 0.251 690 N C 0.118 175.632 175.510 0.007 0.000 1.112 690 N CA 0.279 53.322 53.050 -0.011 0.000 0.750 690 N CB -1.383 37.092 38.487 -0.021 0.000 1.119 690 N HN 0.748 nan 8.380 nan 0.000 0.561 691 A N -0.002 122.831 122.820 0.022 0.000 2.386 691 A HA 0.683 5.007 4.320 0.006 0.000 0.248 691 A C 1.057 178.659 177.584 0.031 0.000 1.082 691 A CA 0.934 52.995 52.037 0.040 0.000 0.789 691 A CB 1.007 20.038 19.000 0.052 0.000 1.025 691 A HN 0.639 nan 8.150 nan 0.000 0.490 692 G N 0.003 108.832 108.800 0.049 0.000 2.367 692 G HA2 0.202 4.165 3.960 0.006 0.000 0.272 692 G HA3 0.202 4.165 3.960 0.006 0.000 0.272 692 G C -0.107 174.833 174.900 0.066 0.000 1.271 692 G CA -0.011 45.116 45.100 0.045 0.000 0.893 692 G HN 0.531 nan 8.290 nan 0.000 0.485 693 N N 0.123 118.862 118.700 0.065 0.000 2.392 693 N HA 0.345 5.089 4.740 0.006 0.000 0.177 693 N C 1.475 177.024 175.510 0.065 0.000 1.066 693 N CA 1.087 54.183 53.050 0.078 0.000 0.895 693 N CB 0.421 38.964 38.487 0.093 0.000 0.988 693 N HN 1.633 nan 8.380 nan 0.000 0.457 694 G N 0.168 108.997 108.800 0.048 0.000 2.395 694 G HA2 0.030 3.993 3.960 0.006 0.000 0.300 694 G HA3 0.030 3.993 3.960 0.006 0.000 0.300 694 G C 0.419 175.342 174.900 0.039 0.000 0.998 694 G CA 0.572 45.693 45.100 0.035 0.000 1.046 694 G HN 0.732 nan 8.290 nan 0.000 0.513 695 G N -2.214 106.615 108.800 0.047 0.000 2.359 695 G HA2 0.479 4.442 3.960 0.006 0.000 0.303 695 G HA3 0.479 4.442 3.960 0.006 0.000 0.303 695 G C -0.192 174.750 174.900 0.072 0.000 1.293 695 G CA 0.092 45.222 45.100 0.050 0.000 0.964 695 G HN 1.138 nan 8.290 nan 0.000 0.531 696 T N 0.034 114.631 114.554 0.071 0.000 2.934 696 T HA 0.419 4.773 4.350 0.006 0.000 0.306 696 T C 0.333 175.103 174.700 0.116 0.000 1.042 696 T CA 0.300 62.454 62.100 0.091 0.000 1.145 696 T CB 1.009 69.922 68.868 0.075 0.000 0.982 696 T HN 0.995 nan 8.240 nan 0.000 0.544 697 V N 4.335 124.341 119.914 0.153 0.000 2.487 697 V HA 0.263 4.387 4.120 0.006 0.000 0.298 697 V C -0.006 176.214 176.094 0.210 0.000 1.028 697 V CA -0.937 61.463 62.300 0.166 0.000 0.860 697 V CB 1.543 33.453 31.823 0.145 0.000 0.991 697 V HN 0.817 nan 8.190 nan 0.000 0.427 698 H N 3.039 122.178 119.070 0.116 0.000 2.487 698 H HA 0.458 5.017 4.556 0.006 0.000 0.333 698 H C 0.290 175.686 175.328 0.112 0.000 1.114 698 H CA -0.083 56.041 56.048 0.126 0.000 1.310 698 H CB 1.960 31.771 29.762 0.082 0.000 1.462 698 H HN 0.766 nan 8.280 nan 0.000 0.516 699 S N 3.837 119.636 115.700 0.164 0.000 2.603 699 S HA 0.216 4.689 4.470 0.006 0.000 0.268 699 S C -0.284 174.491 174.600 0.292 0.000 1.317 699 S CA -0.849 57.449 58.200 0.163 0.000 1.012 699 S CB 1.339 64.596 63.200 0.095 0.000 0.926 699 S HN 0.602 nan 8.310 nan 0.000 0.539 700 D N 0.280 120.777 120.400 0.162 0.000 2.340 700 D HA 0.218 4.861 4.640 0.006 0.000 0.240 700 D C -0.691 175.655 176.300 0.077 0.000 1.001 700 D CA -0.465 53.612 54.000 0.128 0.000 0.888 700 D CB 1.412 42.241 40.800 0.048 0.000 1.310 700 D HN 0.794 nan 8.370 nan 0.000 0.474 701 E N 1.457 121.656 120.200 -0.001 0.000 1.979 701 E HA 0.249 4.602 4.350 0.006 0.000 0.285 701 E C -0.820 175.679 176.600 -0.168 0.000 1.188 701 E CA -0.076 56.171 56.400 -0.255 0.000 1.214 701 E CB -0.250 29.324 29.700 -0.211 0.000 1.210 701 E HN 0.310 nan 8.360 nan 0.000 0.477 702 I N 2.221 122.714 120.570 -0.128 0.000 2.512 702 I HA 0.317 4.491 4.170 0.006 0.000 0.287 702 I C -0.062 176.009 176.117 -0.078 0.000 1.069 702 I CA -0.767 60.483 61.300 -0.085 0.000 1.056 702 I CB 1.854 39.823 38.000 -0.051 0.000 1.229 702 I HN 0.281 nan 8.210 nan 0.000 0.429 703 A N 4.347 127.125 122.820 -0.070 0.000 2.445 703 A HA 0.631 4.955 4.320 0.006 0.000 0.242 703 A C 0.054 177.618 177.584 -0.033 0.000 1.075 703 A CA 0.190 52.199 52.037 -0.046 0.000 0.777 703 A CB 0.627 19.603 19.000 -0.040 0.000 1.013 703 A HN 0.631 nan 8.150 nan 0.000 0.493 704 S N 0.583 116.285 115.700 0.003 0.000 2.570 704 S HA 0.460 4.933 4.470 0.006 0.000 0.286 704 S C -0.358 174.315 174.600 0.123 0.000 1.143 704 S CA -0.513 57.691 58.200 0.006 0.000 0.921 704 S CB 0.211 63.457 63.200 0.077 0.000 1.108 704 S HN 1.052 nan 8.310 nan 0.000 0.456 705 H N 2.430 121.526 119.070 0.044 0.000 2.741 705 H HA -0.211 4.349 4.556 0.006 0.000 0.305 705 H C 1.178 176.545 175.328 0.064 0.000 1.169 705 H CA 1.405 57.494 56.048 0.068 0.000 1.144 705 H CB -1.570 28.260 29.762 0.114 0.000 1.397 705 H HN 1.767 nan 8.280 nan 0.000 0.409 706 G N -0.060 108.798 108.800 0.098 0.000 2.143 706 G HA2 -0.332 3.632 3.960 0.006 0.000 0.248 706 G HA3 -0.332 3.632 3.960 0.006 0.000 0.248 706 G C 0.300 175.251 174.900 0.085 0.000 0.991 706 G CA 0.643 45.791 45.100 0.079 0.000 0.689 706 G HN 0.590 nan 8.290 nan 0.000 0.522 707 R N -0.948 119.610 120.500 0.097 0.000 2.832 707 R HA 0.549 4.893 4.340 0.006 0.000 0.271 707 R C 1.045 177.383 176.300 0.064 0.000 0.996 707 R CA -0.595 55.562 56.100 0.094 0.000 0.977 707 R CB 1.034 31.404 30.300 0.117 0.000 1.168 707 R HN 0.187 nan 8.270 nan 0.000 0.482 708 Q N 0.290 120.138 119.800 0.079 0.000 2.212 708 Q HA -0.025 4.318 4.340 0.006 0.000 0.199 708 Q C -0.284 175.635 176.000 -0.136 0.000 0.950 708 Q CA 1.290 57.096 55.803 0.004 0.000 0.863 708 Q CB 0.384 29.173 28.738 0.086 0.000 0.944 708 Q HN 0.470 nan 8.270 nan 0.000 0.465 709 H N -1.186 117.894 119.070 0.017 0.000 2.670 709 H HA 0.446 5.006 4.556 0.006 0.000 0.361 709 H C -0.923 174.379 175.328 -0.042 0.000 1.169 709 H CA -0.369 55.681 56.048 0.002 0.000 1.198 709 H CB 2.057 31.831 29.762 0.020 0.000 1.700 709 H HN 0.069 nan 8.280 nan 0.000 0.542 710 S N 1.071 116.786 115.700 0.026 0.000 2.579 710 S HA 0.593 5.066 4.470 0.006 0.000 0.272 710 S C -1.442 173.010 174.600 -0.247 0.000 1.141 710 S CA -1.060 57.053 58.200 -0.146 0.000 0.843 710 S CB 1.262 64.395 63.200 -0.112 0.000 1.122 710 S HN 0.426 nan 8.310 nan 0.000 0.468 711 L N 1.567 122.444 121.223 -0.577 0.000 2.325 711 L HA 0.669 5.013 4.340 0.006 0.000 0.278 711 L C -0.007 176.639 176.870 -0.372 0.000 1.023 711 L CA -0.613 53.926 54.840 -0.503 0.000 0.811 711 L CB 2.020 43.674 42.059 -0.676 0.000 1.249 711 L HN 0.831 nan 8.230 nan 0.000 0.431 712 S N 3.857 119.491 115.700 -0.111 0.000 2.532 712 S HA 0.606 5.080 4.470 0.006 0.000 0.318 712 S C -0.597 174.066 174.600 0.105 0.000 1.083 712 S CA -0.558 57.654 58.200 0.020 0.000 1.131 712 S CB -0.010 63.211 63.200 0.034 0.000 0.973 712 S HN 0.378 nan 8.310 nan 0.000 0.468 713 L N 2.927 124.275 121.223 0.208 0.000 2.322 713 L HA 0.542 4.886 4.340 0.006 0.000 0.269 713 L C 0.455 177.443 176.870 0.197 0.000 1.012 713 L CA -0.953 54.012 54.840 0.209 0.000 0.815 713 L CB 1.956 44.176 42.059 0.268 0.000 1.295 713 L HN 0.364 nan 8.230 nan 0.000 0.438 714 T N 3.179 117.822 114.554 0.147 0.000 2.794 714 T HA 0.408 4.762 4.350 0.006 0.000 0.296 714 T C -0.127 174.577 174.700 0.006 0.000 0.949 714 T CA -0.154 61.998 62.100 0.086 0.000 1.101 714 T CB 0.087 69.037 68.868 0.137 0.000 0.905 714 T HN 0.224 nan 8.240 nan 0.000 0.516 715 L N 6.809 127.981 121.223 -0.085 0.000 2.294 715 L HA 0.370 4.713 4.340 0.006 0.000 0.283 715 L C -2.252 174.529 176.870 -0.149 0.000 1.015 715 L CA -2.450 52.311 54.840 -0.132 0.000 0.831 715 L CB 1.283 43.207 42.059 -0.225 0.000 1.217 715 L HN 0.331 nan 8.230 nan 0.000 0.420 716 P HA 0.083 nan 4.420 nan 0.000 0.267 716 P C -2.458 174.789 177.300 -0.087 0.000 1.200 716 P CA -1.005 62.049 63.100 -0.077 0.000 0.772 716 P CB -0.206 31.473 31.700 -0.036 0.000 0.855 717 P HA 0.104 nan 4.420 nan 0.000 0.275 717 P C 0.029 177.303 177.300 -0.044 0.000 1.227 717 P CA -0.036 63.037 63.100 -0.045 0.000 0.781 717 P CB 0.359 32.062 31.700 0.006 0.000 0.906 718 L N -0.767 120.413 121.223 -0.071 0.000 3.795 718 L HA -0.215 4.128 4.340 0.006 0.000 0.489 718 L C 0.193 177.014 176.870 -0.082 0.000 1.259 718 L CA 0.611 55.409 54.840 -0.070 0.000 0.765 718 L CB -2.042 39.993 42.059 -0.040 0.000 1.519 718 L HN 0.661 nan 8.230 nan 0.000 0.842 719 A N -0.518 122.209 122.820 -0.156 0.000 2.609 719 A HA 0.890 5.213 4.320 0.006 0.000 0.291 719 A C -0.258 177.227 177.584 -0.165 0.000 1.096 719 A CA 0.178 52.149 52.037 -0.110 0.000 0.684 719 A CB 2.101 21.070 19.000 -0.053 0.000 1.282 719 A HN 0.232 nan 8.150 nan 0.000 0.412 720 T N -0.061 114.456 114.554 -0.061 0.000 2.893 720 T HA 0.749 5.103 4.350 0.006 0.000 0.291 720 T C -0.512 174.200 174.700 0.020 0.000 1.028 720 T CA -0.275 61.827 62.100 0.003 0.000 0.995 720 T CB 0.707 69.675 68.868 0.166 0.000 1.051 720 T HN 1.593 nan 8.240 nan 0.000 0.470 721 I N -0.382 120.229 120.570 0.068 0.000 2.934 721 I HA 0.863 5.037 4.170 0.006 0.000 0.306 721 I C -1.811 174.493 176.117 0.312 0.000 1.110 721 I CA -1.246 60.097 61.300 0.072 0.000 1.019 721 I CB 2.209 40.232 38.000 0.039 0.000 1.227 721 I HN 0.567 nan 8.210 nan 0.000 0.434 722 W N 4.551 125.839 121.300 -0.019 0.000 2.785 722 W HA 0.696 5.359 4.660 0.006 0.000 0.333 722 W C -1.247 175.278 176.519 0.011 0.000 1.062 722 W CA -1.018 56.307 57.345 -0.033 0.000 1.233 722 W CB 1.680 31.128 29.460 -0.018 0.000 1.413 722 W HN 0.232 nan 8.180 nan 0.000 0.489 723 L N 3.271 124.653 121.223 0.265 0.000 2.354 723 L HA 0.692 5.035 4.340 0.006 0.000 0.269 723 L C -0.293 176.803 176.870 0.377 0.000 1.005 723 L CA -1.177 53.844 54.840 0.302 0.000 0.819 723 L CB 1.305 43.565 42.059 0.336 0.000 1.311 723 L HN 0.160 nan 8.230 nan 0.000 0.423 724 V N 2.682 122.761 119.914 0.274 0.000 2.919 724 V HA 0.540 4.663 4.120 0.006 0.000 0.316 724 V C -0.119 175.814 176.094 -0.269 0.000 1.077 724 V CA -0.782 61.551 62.300 0.055 0.000 0.977 724 V CB 2.809 34.601 31.823 -0.052 0.000 1.039 724 V HN 0.870 nan 8.190 nan 0.000 0.441 725 R N 3.004 123.019 120.500 -0.808 0.000 2.357 725 R HA 0.397 4.741 4.340 0.006 0.000 0.296 725 R C -0.374 175.605 176.300 -0.535 0.000 1.052 725 R CA -0.368 55.021 56.100 -1.186 0.000 0.988 725 R CB 0.865 30.300 30.300 -1.441 0.000 1.025 725 R HN 0.784 nan 8.270 nan 0.000 0.469 726 E N 1.888 121.833 120.200 -0.425 0.000 2.259 726 E HA 0.241 4.594 4.350 0.006 0.000 0.281 726 E C -0.515 175.966 176.600 -0.199 0.000 1.027 726 E CA -0.524 55.742 56.400 -0.223 0.000 0.838 726 E CB 1.559 31.176 29.700 -0.138 0.000 1.066 726 E HN 0.655 nan 8.360 nan 0.000 0.401 727 A N 3.649 126.389 122.820 -0.134 0.000 2.445 727 A HA 0.118 4.442 4.320 0.006 0.000 0.242 727 A C 0.059 177.597 177.584 -0.077 0.000 1.075 727 A CA 0.107 52.082 52.037 -0.103 0.000 0.777 727 A CB 0.405 19.361 19.000 -0.073 0.000 1.013 727 A HN 0.677 nan 8.150 nan 0.000 0.493 728 E N 0.000 120.163 120.200 -0.062 0.000 2.725 728 E HA 0.000 4.353 4.350 0.006 0.000 0.291 728 E CA 0.000 56.379 56.400 -0.036 0.000 0.976 728 E CB 0.000 29.686 29.700 -0.024 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440