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_D 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 XXXXNTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRDXX DATA SEQUENCE XXXXXXXXXX XXGRENLEAI 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 0.000 174.577 174.700 -0.205 0.000 1.109 117 T CA 0.000 61.955 62.100 -0.242 0.000 1.349 117 T CB 0.000 68.701 68.868 -0.278 0.000 0.612 118 H N 1.538 120.575 119.070 -0.054 0.000 2.524 118 H HA 0.261 4.815 4.556 -0.003 0.000 0.282 118 H C 1.789 177.112 175.328 -0.008 0.000 1.016 118 H CA 0.607 56.632 56.048 -0.038 0.000 1.270 118 H CB -0.202 29.544 29.762 -0.028 0.000 1.394 118 H HN 0.175 nan 8.280 nan 0.000 0.568 119 L N 0.539 121.542 121.223 -0.367 0.000 2.270 119 L HA 0.104 4.443 4.340 -0.002 0.000 0.210 119 L C 1.096 177.928 176.870 -0.065 0.000 1.104 119 L CA 1.053 55.796 54.840 -0.162 0.000 0.804 119 L CB -0.051 41.865 42.059 -0.237 0.000 0.937 119 L HN 0.080 nan 8.230 nan 0.000 0.450 120 R N -0.702 119.687 120.500 -0.184 0.000 2.835 120 R HA 0.195 4.534 4.340 -0.002 0.000 0.290 120 R C -1.649 174.355 176.300 -0.494 0.000 1.410 120 R CA -1.024 54.843 56.100 -0.389 0.000 1.590 120 R CB 0.691 30.692 30.300 -0.498 0.000 1.288 120 R HN 0.013 nan 8.270 nan 0.000 0.637 121 P HA -0.213 nan 4.420 nan 0.000 0.219 121 P C 0.772 177.938 177.300 -0.222 0.000 1.146 121 P CA 1.238 64.266 63.100 -0.120 0.000 0.808 121 P CB 0.026 31.793 31.700 0.111 0.000 0.779 122 Y N 0.037 120.378 120.300 0.067 0.000 2.574 122 Y HA 0.065 4.614 4.550 -0.003 0.000 0.294 122 Y C 1.766 177.753 175.900 0.144 0.000 1.142 122 Y CA 0.306 58.459 58.100 0.088 0.000 1.314 122 Y CB -1.745 36.821 38.460 0.175 0.000 0.991 122 Y HN -0.012 nan 8.280 nan 0.000 0.555 123 E N 0.331 120.327 120.200 -0.339 0.000 2.435 123 E HA -0.039 4.310 4.350 -0.002 0.000 0.195 123 E C 1.356 177.669 176.600 -0.479 0.000 1.029 123 E CA 1.281 57.498 56.400 -0.304 0.000 0.865 123 E CB 0.169 29.652 29.700 -0.361 0.000 0.833 123 E HN 0.760 nan 8.360 nan 0.000 0.510 124 T N -2.750 111.592 114.554 -0.354 0.000 3.048 124 T HA 0.215 4.564 4.350 -0.002 0.000 0.254 124 T C 0.754 175.371 174.700 -0.137 0.000 0.942 124 T CA -0.429 61.478 62.100 -0.321 0.000 0.931 124 T CB 0.133 68.876 68.868 -0.208 0.000 1.220 124 T HN -0.119 nan 8.240 nan 0.000 0.503 125 L N 2.356 123.472 121.223 -0.179 0.000 2.439 125 L HA 0.540 4.879 4.340 -0.002 0.000 0.269 125 L C 1.464 178.323 176.870 -0.018 0.000 1.179 125 L CA 0.941 55.639 54.840 -0.236 0.000 0.828 125 L CB 0.290 41.874 42.059 -0.793 0.000 1.106 125 L HN 0.794 nan 8.230 nan 0.000 0.467 126 G N 2.122 110.984 108.800 0.103 0.000 2.464 126 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.216 126 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.216 126 G C -0.815 174.154 174.900 0.115 0.000 1.186 126 G CA -0.174 45.023 45.100 0.160 0.000 1.010 126 G HN 1.033 nan 8.290 nan 0.000 0.585 127 A N 0.544 123.263 122.820 -0.168 0.000 2.323 127 A HA 0.785 5.104 4.320 -0.002 0.000 0.305 127 A C -0.428 176.831 177.584 -0.541 0.000 1.275 127 A CA -0.285 51.468 52.037 -0.474 0.000 0.804 127 A CB 0.534 19.150 19.000 -0.641 0.000 1.152 127 A HN 0.922 nan 8.150 nan 0.000 0.487 128 H N 1.372 120.320 119.070 -0.203 0.000 2.690 128 H HA 0.600 5.155 4.556 -0.002 0.000 0.368 128 H C 0.291 175.547 175.328 -0.120 0.000 1.150 128 H CA -0.326 55.671 56.048 -0.086 0.000 1.174 128 H CB 2.194 31.944 29.762 -0.020 0.000 1.684 128 H HN 0.814 nan 8.280 nan 0.000 0.538 129 A N 1.986 124.831 122.820 0.042 0.000 2.498 129 A HA 0.228 4.547 4.320 -0.002 0.000 0.239 129 A C 0.028 177.656 177.584 0.074 0.000 1.068 129 A CA 0.496 52.555 52.037 0.036 0.000 0.766 129 A CB 0.104 19.125 19.000 0.035 0.000 1.003 129 A HN 0.743 nan 8.150 nan 0.000 0.497 130 D N -0.760 119.710 120.400 0.117 0.000 2.622 130 D HA 0.574 5.213 4.640 -0.002 0.000 0.255 130 D C -1.357 175.003 176.300 0.099 0.000 1.246 130 D CA -0.049 53.996 54.000 0.074 0.000 0.795 130 D CB 1.915 42.742 40.800 0.045 0.000 1.369 130 D HN 0.392 nan 8.370 nan 0.000 0.425 131 T N 1.741 116.257 114.554 -0.063 0.000 2.881 131 T HA 0.608 4.957 4.350 -0.002 0.000 0.290 131 T C -0.400 174.146 174.700 -0.258 0.000 1.000 131 T CA -0.579 61.476 62.100 -0.075 0.000 0.978 131 T CB 1.033 69.885 68.868 -0.027 0.000 0.997 131 T HN 0.235 nan 8.240 nan 0.000 0.443 132 M N 2.310 121.721 119.600 -0.315 0.000 2.213 132 M HA 0.293 4.772 4.480 -0.002 0.000 0.286 132 M C -0.741 175.481 176.300 -0.129 0.000 1.008 132 M CA -0.497 54.607 55.300 -0.326 0.000 0.937 132 M CB 2.007 34.232 32.600 -0.625 0.000 1.600 132 M HN 0.606 nan 8.290 nan 0.000 0.450 133 D N 2.041 122.389 120.400 -0.087 0.000 2.981 133 D HA -0.147 4.492 4.640 -0.002 0.000 0.223 133 D C 0.912 177.204 176.300 -0.013 0.000 1.151 133 D CA 2.120 56.100 54.000 -0.035 0.000 0.827 133 D CB -1.069 39.725 40.800 -0.010 0.000 1.101 133 D HN 1.235 nan 8.370 nan 0.000 0.426 134 G N -1.913 106.875 108.800 -0.020 0.000 2.143 134 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.248 134 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.248 134 G C 0.263 175.178 174.900 0.025 0.000 0.991 134 G CA 0.331 45.430 45.100 -0.001 0.000 0.689 134 G HN 0.741 nan 8.290 nan 0.000 0.522 135 V N 0.830 120.773 119.914 0.048 0.000 2.459 135 V HA 0.649 4.768 4.120 -0.002 0.000 0.295 135 V C 0.698 176.909 176.094 0.194 0.000 1.029 135 V CA -0.329 62.039 62.300 0.114 0.000 0.874 135 V CB 1.762 33.682 31.823 0.162 0.000 0.985 135 V HN 0.269 nan 8.190 nan 0.000 0.438 136 T N 3.525 118.177 114.554 0.163 0.000 2.909 136 T HA 0.740 5.089 4.350 -0.002 0.000 0.289 136 T C 0.474 175.281 174.700 0.179 0.000 1.005 136 T CA 0.413 62.619 62.100 0.177 0.000 1.084 136 T CB 1.482 70.397 68.868 0.078 0.000 0.975 136 T HN 1.190 nan 8.240 nan 0.000 0.509 137 G N 0.679 109.587 108.800 0.179 0.000 2.428 137 G HA2 0.548 4.507 3.960 -0.002 0.000 0.305 137 G HA3 0.548 4.507 3.960 -0.002 0.000 0.305 137 G C -1.007 173.838 174.900 -0.092 0.000 1.260 137 G CA -0.208 44.786 45.100 -0.177 0.000 0.853 137 G HN 0.845 nan 8.290 nan 0.000 0.480 138 T N -1.525 112.819 114.554 -0.350 0.000 2.893 138 T HA 0.685 5.034 4.350 -0.002 0.000 0.293 138 T C -0.598 173.908 174.700 -0.322 0.000 1.027 138 T CA -0.494 61.416 62.100 -0.316 0.000 0.988 138 T CB 1.996 70.531 68.868 -0.556 0.000 1.043 138 T HN 0.710 nan 8.240 nan 0.000 0.461 139 R N 3.106 123.536 120.500 -0.116 0.000 2.265 139 R HA 0.577 4.916 4.340 -0.002 0.000 0.319 139 R C -1.341 174.852 176.300 -0.178 0.000 1.006 139 R CA -0.610 55.522 56.100 0.054 0.000 0.880 139 R CB 0.386 30.786 30.300 0.168 0.000 1.077 139 R HN 0.579 nan 8.270 nan 0.000 0.454 140 F N 2.035 122.034 119.950 0.081 0.000 2.443 140 F HA 0.420 4.946 4.527 -0.001 0.000 0.335 140 F C 0.004 175.919 175.800 0.191 0.000 1.104 140 F CA -0.359 57.718 58.000 0.127 0.000 1.013 140 F CB 2.248 41.331 39.000 0.139 0.000 1.136 140 F HN 0.485 nan 8.300 nan 0.000 0.470 141 S N 1.604 117.524 115.700 0.366 0.000 2.541 141 S HA 0.801 5.270 4.470 -0.002 0.000 0.271 141 S C -1.430 173.313 174.600 0.239 0.000 1.133 141 S CA -0.927 57.435 58.200 0.269 0.000 0.876 141 S CB 1.799 65.107 63.200 0.180 0.000 1.105 141 S HN 0.680 nan 8.310 nan 0.000 0.470 142 V N 2.389 122.423 119.914 0.200 0.000 2.752 142 V HA 0.563 4.682 4.120 -0.002 0.000 0.302 142 V C -1.911 174.399 176.094 0.360 0.000 1.133 142 V CA -0.569 61.850 62.300 0.199 0.000 0.919 142 V CB 1.510 33.233 31.823 -0.166 0.000 1.026 142 V HN 1.058 nan 8.190 nan 0.000 0.429 143 W N 7.376 128.792 121.300 0.193 0.000 2.565 143 W HA 0.603 5.263 4.660 0.000 0.000 0.325 143 W C 0.194 176.886 176.519 0.287 0.000 1.408 143 W CA 0.160 57.621 57.345 0.194 0.000 1.350 143 W CB 0.776 30.308 29.460 0.120 0.000 1.426 143 W HN 0.921 nan 8.180 nan 0.000 0.538 144 A N 9.416 132.266 122.820 0.049 0.000 3.277 144 A HA 0.266 4.585 4.320 -0.002 0.000 0.281 144 A C -1.746 175.880 177.584 0.069 0.000 1.179 144 A CA -0.742 51.317 52.037 0.037 0.000 0.879 144 A CB 0.468 19.616 19.000 0.247 0.000 1.374 144 A HN 0.449 nan 8.150 nan 0.000 0.590 145 P HA -0.118 nan 4.420 nan 0.000 0.220 145 P C 0.432 177.738 177.300 0.009 0.000 1.148 145 P CA 1.148 64.188 63.100 -0.100 0.000 0.803 145 P CB 0.197 31.802 31.700 -0.157 0.000 0.782 146 N N -0.533 118.166 118.700 -0.001 0.000 2.235 146 N HA 0.195 4.934 4.740 -0.002 0.000 0.209 146 N C 0.587 176.143 175.510 0.076 0.000 1.122 146 N CA -0.098 52.971 53.050 0.033 0.000 0.845 146 N CB 0.658 39.140 38.487 -0.008 0.000 1.004 146 N HN 0.090 nan 8.380 nan 0.000 0.499 147 A N 1.692 124.600 122.820 0.147 0.000 2.366 147 A HA 0.229 4.548 4.320 -0.002 0.000 0.249 147 A C 1.167 178.885 177.584 0.224 0.000 1.084 147 A CA -0.364 51.734 52.037 0.101 0.000 0.794 147 A CB 0.406 19.390 19.000 -0.026 0.000 1.034 147 A HN 0.365 nan 8.150 nan 0.000 0.491 148 R N 0.424 120.985 120.500 0.102 0.000 2.613 148 R HA 0.402 4.741 4.340 -0.002 0.000 0.361 148 R C -0.224 176.141 176.300 0.109 0.000 1.072 148 R CA -0.383 55.816 56.100 0.165 0.000 1.089 148 R CB 0.476 30.829 30.300 0.089 0.000 1.343 148 R HN 0.478 nan 8.270 nan 0.000 0.571 149 R N 0.646 121.074 120.500 -0.119 0.000 4.599 149 R HA 0.177 4.516 4.340 -0.002 0.000 0.243 149 R C -2.230 173.681 176.300 -0.650 0.000 1.010 149 R CA -0.269 55.660 56.100 -0.285 0.000 1.340 149 R CB 1.744 31.977 30.300 -0.111 0.000 1.223 149 R HN 0.049 nan 8.270 nan 0.000 0.609 150 V N 2.342 121.695 119.914 -0.936 0.000 2.733 150 V HA 0.604 4.723 4.120 -0.002 0.000 0.306 150 V C -0.256 175.650 176.094 -0.314 0.000 1.084 150 V CA -0.729 61.126 62.300 -0.742 0.000 0.905 150 V CB 2.397 33.480 31.823 -1.234 0.000 1.010 150 V HN 0.741 nan 8.190 nan 0.000 0.424 151 S N 2.310 117.939 115.700 -0.119 0.000 2.566 151 S HA 0.705 5.174 4.470 -0.002 0.000 0.298 151 S C -0.470 174.196 174.600 0.110 0.000 1.083 151 S CA -0.662 57.546 58.200 0.014 0.000 0.978 151 S CB 2.173 65.381 63.200 0.013 0.000 1.073 151 S HN 0.484 nan 8.310 nan 0.000 0.491 152 V N 3.132 123.097 119.914 0.086 0.000 2.432 152 V HA 0.426 4.545 4.120 -0.002 0.000 0.271 152 V C 0.048 176.127 176.094 -0.025 0.000 1.046 152 V CA -0.487 61.804 62.300 -0.015 0.000 0.945 152 V CB 0.642 32.233 31.823 -0.386 0.000 0.992 152 V HN 0.698 nan 8.190 nan 0.000 0.471 153 V N 2.517 122.377 119.914 -0.091 0.000 2.715 153 V HA 1.145 5.264 4.120 -0.002 0.000 0.310 153 V C 0.202 175.842 176.094 -0.756 0.000 1.054 153 V CA 0.142 62.295 62.300 -0.244 0.000 0.928 153 V CB 1.312 33.136 31.823 0.002 0.000 1.007 153 V HN 1.107 nan 8.190 nan 0.000 0.437 154 G N 2.186 110.090 108.800 -1.494 0.000 2.341 154 G HA2 0.285 4.244 3.960 -0.002 0.000 0.299 154 G HA3 0.285 4.244 3.960 -0.002 0.000 0.299 154 G C -0.389 173.178 174.900 -2.222 0.000 1.274 154 G CA 0.029 43.701 45.100 -2.381 0.000 0.853 154 G HN 0.591 nan 8.290 nan 0.000 0.493 155 Q N -0.761 118.139 119.800 -1.500 0.000 2.119 155 Q HA -0.002 4.337 4.340 -0.002 0.000 0.201 155 Q C 2.136 177.750 176.000 -0.643 0.000 0.972 155 Q CA 2.004 57.387 55.803 -0.699 0.000 0.847 155 Q CB -0.255 28.354 28.738 -0.215 0.000 0.903 155 Q HN 0.605 nan 8.270 nan 0.000 0.433 156 F N -0.866 118.873 119.950 -0.350 0.000 2.664 156 F HA 0.042 4.568 4.527 -0.002 0.000 0.297 156 F C 1.128 176.737 175.800 -0.318 0.000 1.164 156 F CA 0.682 58.502 58.000 -0.300 0.000 1.472 156 F CB -0.283 38.571 39.000 -0.243 0.000 1.108 156 F HN -0.031 nan 8.300 nan 0.000 0.596 157 N N -2.053 116.266 118.700 -0.636 0.000 2.067 157 N HA 0.025 4.764 4.740 -0.002 0.000 0.227 157 N C -0.438 174.915 175.510 -0.261 0.000 1.348 157 N CA -0.181 52.636 53.050 -0.388 0.000 0.879 157 N CB 0.211 38.315 38.487 -0.639 0.000 1.109 157 N HN 0.073 nan 8.380 nan 0.000 0.501 158 Y N -0.538 119.630 120.300 -0.221 0.000 3.396 158 Y HA -0.296 4.254 4.550 -0.001 0.000 0.214 158 Y C -0.559 175.379 175.900 0.064 0.000 1.203 158 Y CA 0.952 59.028 58.100 -0.040 0.000 1.401 158 Y CB -2.778 35.691 38.460 0.016 0.000 1.409 158 Y HN 0.292 nan 8.280 nan 0.000 0.594 159 W N -1.527 119.727 121.300 -0.077 0.000 4.849 159 W HA -0.261 4.398 4.660 -0.002 0.000 0.358 159 W C 0.443 176.933 176.519 -0.049 0.000 1.331 159 W CA 0.940 58.229 57.345 -0.093 0.000 0.844 159 W CB -0.988 28.432 29.460 -0.067 0.000 2.434 159 W HN 0.394 nan 8.180 nan 0.000 1.458 160 D N 0.189 120.630 120.400 0.068 0.000 2.359 160 D HA 0.399 5.038 4.640 -0.002 0.000 0.230 160 D C 1.377 177.686 176.300 0.016 0.000 1.118 160 D CA 0.590 54.624 54.000 0.056 0.000 0.844 160 D CB 1.069 41.898 40.800 0.050 0.000 1.059 160 D HN 0.063 nan 8.370 nan 0.000 0.493 161 G N 3.450 112.266 108.800 0.026 0.000 2.744 161 G HA2 -0.139 3.820 3.960 -0.002 0.000 0.211 161 G HA3 -0.139 3.820 3.960 -0.002 0.000 0.211 161 G C 1.283 176.180 174.900 -0.004 0.000 1.143 161 G CA 0.046 45.154 45.100 0.013 0.000 0.788 161 G HN 0.466 nan 8.290 nan 0.000 0.534 162 R N -0.792 119.699 120.500 -0.015 0.000 2.254 162 R HA 0.192 4.532 4.340 -0.002 0.000 0.195 162 R C 2.314 178.580 176.300 -0.058 0.000 0.957 162 R CA 0.027 56.112 56.100 -0.024 0.000 1.024 162 R CB 0.078 30.367 30.300 -0.019 0.000 0.952 162 R HN 0.129 nan 8.270 nan 0.000 0.484 163 R N 0.229 120.664 120.500 -0.108 0.000 2.119 163 R HA 0.006 4.345 4.340 -0.002 0.000 0.222 163 R C 0.156 176.185 176.300 -0.451 0.000 1.088 163 R CA 1.212 57.146 56.100 -0.277 0.000 0.984 163 R CB 0.344 30.441 30.300 -0.337 0.000 0.884 163 R HN 0.164 nan 8.270 nan 0.000 0.447 164 H N 0.072 119.147 119.070 0.009 0.000 2.439 164 H HA 0.315 4.870 4.556 -0.001 0.000 0.228 164 H C -2.431 172.908 175.328 0.019 0.000 1.423 164 H CA -2.516 53.538 56.048 0.010 0.000 1.386 164 H CB 0.904 30.660 29.762 -0.011 0.000 1.641 164 H HN 0.165 nan 8.280 nan 0.000 0.508 165 P HA 0.035 nan 4.420 nan 0.000 0.269 165 P C 0.400 177.800 177.300 0.165 0.000 1.209 165 P CA 0.070 63.236 63.100 0.110 0.000 0.776 165 P CB 1.224 32.983 31.700 0.097 0.000 0.876 166 M N 1.384 121.103 119.600 0.199 0.000 2.471 166 M HA 0.428 4.907 4.480 -0.002 0.000 0.309 166 M C 0.777 177.352 176.300 0.458 0.000 1.186 166 M CA -0.557 54.934 55.300 0.318 0.000 1.008 166 M CB 1.429 34.248 32.600 0.365 0.000 1.551 166 M HN 0.197 nan 8.290 nan 0.000 0.477 167 R N 1.325 122.034 120.500 0.348 0.000 2.514 167 R HA 0.503 4.842 4.340 -0.002 0.000 0.301 167 R C -1.575 174.691 176.300 -0.056 0.000 0.962 167 R CA -0.868 55.342 56.100 0.183 0.000 0.882 167 R CB 1.228 31.583 30.300 0.091 0.000 1.143 167 R HN 0.590 nan 8.270 nan 0.000 0.452 168 L N 5.009 125.916 121.223 -0.525 0.000 2.315 168 L HA 0.293 4.632 4.340 -0.002 0.000 0.283 168 L C -0.556 176.051 176.870 -0.439 0.000 1.089 168 L CA -0.083 54.180 54.840 -0.962 0.000 0.833 168 L CB 0.580 41.748 42.059 -1.486 0.000 1.170 168 L HN 0.481 nan 8.230 nan 0.000 0.442 169 R N 5.322 125.637 120.500 -0.308 0.000 2.291 169 R HA 0.133 4.472 4.340 -0.002 0.000 0.333 169 R C 0.862 177.060 176.300 -0.169 0.000 1.082 169 R CA -0.044 55.957 56.100 -0.166 0.000 0.948 169 R CB -0.063 30.187 30.300 -0.084 0.000 1.009 169 R HN 0.644 nan 8.270 nan 0.000 0.460 170 K N 2.183 122.497 120.400 -0.143 0.000 2.211 170 K HA -0.167 4.152 4.320 -0.002 0.000 0.203 170 K C 1.044 177.612 176.600 -0.053 0.000 1.050 170 K CA 1.504 57.726 56.287 -0.110 0.000 0.945 170 K CB 0.327 32.774 32.500 -0.089 0.000 0.732 170 K HN 0.505 nan 8.250 nan 0.000 0.451 171 E N 0.872 121.048 120.200 -0.040 0.000 2.268 171 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 171 E C 1.703 178.307 176.600 0.006 0.000 0.995 171 E CA 1.605 57.996 56.400 -0.016 0.000 0.836 171 E CB -0.093 29.597 29.700 -0.018 0.000 0.763 171 E HN 0.261 nan 8.360 nan 0.000 0.491 172 S N -1.702 114.006 115.700 0.015 0.000 2.731 172 S HA 0.440 4.909 4.470 -0.002 0.000 0.244 172 S C 1.773 176.474 174.600 0.168 0.000 1.084 172 S CA 0.009 58.248 58.200 0.066 0.000 0.877 172 S CB 0.473 63.700 63.200 0.046 0.000 0.798 172 S HN 0.573 nan 8.310 nan 0.000 0.496 173 G N 1.266 110.122 108.800 0.094 0.000 2.163 173 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.213 173 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.213 173 G C -0.136 174.845 174.900 0.135 0.000 0.991 173 G CA -0.047 45.119 45.100 0.109 0.000 0.653 173 G HN 0.544 nan 8.290 nan 0.000 0.518 174 I N 0.607 121.244 120.570 0.111 0.000 2.331 174 I HA 0.465 4.634 4.170 -0.002 0.000 0.292 174 I C 0.329 176.447 176.117 0.001 0.000 0.998 174 I CA -1.000 60.401 61.300 0.167 0.000 1.267 174 I CB 0.632 38.731 38.000 0.164 0.000 1.386 174 I HN 0.096 nan 8.210 nan 0.000 0.476 175 W N 5.426 126.770 121.300 0.073 0.000 2.316 175 W HA 0.501 5.160 4.660 -0.002 0.000 0.321 175 W C 0.300 176.862 176.519 0.072 0.000 1.203 175 W CA -0.161 57.213 57.345 0.048 0.000 1.214 175 W CB 0.589 30.051 29.460 0.004 0.000 1.169 175 W HN 0.390 nan 8.180 nan 0.000 0.561 176 E N 2.163 122.540 120.200 0.295 0.000 2.366 176 E HA 0.646 4.995 4.350 -0.002 0.000 0.278 176 E C -2.274 174.476 176.600 0.249 0.000 0.923 176 E CA -0.987 55.560 56.400 0.245 0.000 0.761 176 E CB 2.023 31.818 29.700 0.159 0.000 1.231 176 E HN 0.422 nan 8.360 nan 0.000 0.443 177 L N 4.239 125.627 121.223 0.276 0.000 2.611 177 L HA 0.479 4.818 4.340 -0.002 0.000 0.260 177 L C -2.135 174.928 176.870 0.323 0.000 0.924 177 L CA -0.406 54.589 54.840 0.258 0.000 0.901 177 L CB 1.599 43.781 42.059 0.204 0.000 1.369 177 L HN 0.627 nan 8.230 nan 0.000 0.415 178 F N 5.835 125.850 119.950 0.108 0.000 2.404 178 F HA 0.779 5.305 4.527 -0.002 0.000 0.339 178 F C -0.652 175.157 175.800 0.016 0.000 1.105 178 F CA -0.463 57.576 58.000 0.064 0.000 1.087 178 F CB 0.926 39.940 39.000 0.023 0.000 1.143 178 F HN 0.362 nan 8.300 nan 0.000 0.491 179 I N 7.522 127.632 120.570 -0.767 0.000 2.439 179 I HA 0.298 4.467 4.170 -0.002 0.000 0.283 179 I C -2.474 173.038 176.117 -1.008 0.000 1.023 179 I CA -2.252 58.583 61.300 -0.774 0.000 1.100 179 I CB 1.626 39.202 38.000 -0.707 0.000 1.238 179 I HN 0.406 nan 8.210 nan 0.000 0.445 180 P HA 0.132 nan 4.420 nan 0.000 0.268 180 P C 0.963 178.096 177.300 -0.279 0.000 1.205 180 P CA 0.627 63.445 63.100 -0.469 0.000 0.771 180 P CB 0.829 32.450 31.700 -0.131 0.000 0.858 181 G N 1.565 110.266 108.800 -0.165 0.000 2.225 181 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.254 181 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.254 181 G C 0.431 175.312 174.900 -0.032 0.000 0.988 181 G CA 0.067 45.135 45.100 -0.053 0.000 0.625 181 G HN 0.865 nan 8.290 nan 0.000 0.527 182 A N 1.836 124.500 122.820 -0.260 0.000 2.450 182 A HA 0.649 4.968 4.320 -0.002 0.000 0.255 182 A C 0.482 177.948 177.584 -0.197 0.000 1.096 182 A CA 0.729 52.533 52.037 -0.388 0.000 0.778 182 A CB -0.001 18.537 19.000 -0.770 0.000 1.031 182 A HN 1.496 nan 8.150 nan 0.000 0.494 183 H N 0.996 119.992 119.070 -0.123 0.000 2.990 183 H HA 0.388 4.943 4.556 -0.002 0.000 0.343 183 H C -1.054 174.267 175.328 -0.011 0.000 1.270 183 H CA -1.217 54.791 56.048 -0.067 0.000 1.118 183 H CB 0.364 30.106 29.762 -0.034 0.000 1.861 183 H HN 0.529 nan 8.280 nan 0.000 0.544 184 N N -0.470 118.323 118.700 0.154 0.000 2.353 184 N HA 0.174 4.913 4.740 -0.002 0.000 0.248 184 N C 1.463 177.071 175.510 0.163 0.000 1.240 184 N CA 2.131 55.256 53.050 0.125 0.000 0.862 184 N CB 0.473 39.038 38.487 0.130 0.000 1.086 184 N HN 0.956 nan 8.380 nan 0.000 0.453 185 G N 0.644 109.514 108.800 0.117 0.000 2.279 185 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.223 185 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.223 185 G C -0.163 174.790 174.900 0.090 0.000 1.015 185 G CA -0.303 44.870 45.100 0.121 0.000 0.621 185 G HN 0.581 nan 8.290 nan 0.000 0.506 186 Q N 0.631 120.445 119.800 0.023 0.000 2.259 186 Q HA 0.664 5.003 4.340 -0.002 0.000 0.246 186 Q C 0.250 176.353 176.000 0.171 0.000 0.920 186 Q CA -0.345 55.490 55.803 0.054 0.000 0.895 186 Q CB 1.545 30.284 28.738 0.003 0.000 1.220 186 Q HN 0.459 nan 8.270 nan 0.000 0.439 187 L N 2.853 124.166 121.223 0.151 0.000 2.375 187 L HA 0.478 4.817 4.340 -0.002 0.000 0.271 187 L C -0.530 176.396 176.870 0.094 0.000 1.107 187 L CA -0.720 54.241 54.840 0.202 0.000 0.806 187 L CB 0.074 42.312 42.059 0.299 0.000 1.146 187 L HN 0.651 nan 8.230 nan 0.000 0.447 188 Y N 0.422 120.708 120.300 -0.023 0.000 2.609 188 Y HA 0.733 5.281 4.550 -0.002 0.000 0.336 188 Y C -1.287 174.576 175.900 -0.061 0.000 1.129 188 Y CA -1.373 56.604 58.100 -0.205 0.000 1.040 188 Y CB 1.512 39.957 38.460 -0.025 0.000 1.310 188 Y HN 0.429 nan 8.280 nan 0.000 0.460 189 K N 0.798 121.107 120.400 -0.151 0.000 2.213 189 K HA 0.547 4.866 4.320 -0.002 0.000 0.254 189 K C -1.981 174.461 176.600 -0.265 0.000 1.062 189 K CA -1.143 55.010 56.287 -0.222 0.000 0.884 189 K CB 2.382 34.919 32.500 0.063 0.000 1.437 189 K HN 0.709 nan 8.250 nan 0.000 0.464 190 Y N 0.615 120.976 120.300 0.103 0.000 2.429 190 Y HA 0.296 4.845 4.550 -0.002 0.000 0.342 190 Y C -0.292 175.597 175.900 -0.018 0.000 1.004 190 Y CA -0.689 57.441 58.100 0.050 0.000 1.075 190 Y CB 2.116 40.614 38.460 0.062 0.000 1.214 190 Y HN 0.464 nan 8.280 nan 0.000 0.455 191 E N 4.804 125.070 120.200 0.110 0.000 2.158 191 E HA 0.523 4.872 4.350 -0.002 0.000 0.271 191 E C -1.384 175.173 176.600 -0.073 0.000 0.911 191 E CA -0.812 55.594 56.400 0.010 0.000 0.767 191 E CB 1.319 31.029 29.700 0.017 0.000 1.120 191 E HN 0.739 nan 8.360 nan 0.000 0.405 192 M N 5.568 125.094 119.600 -0.123 0.000 2.446 192 M HA 0.397 4.876 4.480 -0.002 0.000 0.294 192 M C -1.812 174.385 176.300 -0.171 0.000 1.158 192 M CA -0.852 54.323 55.300 -0.208 0.000 0.899 192 M CB 1.478 33.919 32.600 -0.265 0.000 1.687 192 M HN 0.458 nan 8.290 nan 0.000 0.455 193 I N 3.858 124.324 120.570 -0.173 0.000 2.306 193 I HA 0.241 4.410 4.170 -0.002 0.000 0.288 193 I C -0.104 175.947 176.117 -0.109 0.000 1.036 193 I CA -0.243 60.986 61.300 -0.117 0.000 1.221 193 I CB 0.441 38.393 38.000 -0.080 0.000 1.385 193 I HN 0.742 nan 8.210 nan 0.000 0.472 194 D N 4.234 124.573 120.400 -0.102 0.000 2.371 194 D HA -0.092 4.547 4.640 -0.002 0.000 0.231 194 D C 1.360 177.634 176.300 -0.043 0.000 1.283 194 D CA 0.427 54.378 54.000 -0.081 0.000 0.884 194 D CB 0.775 41.536 40.800 -0.065 0.000 1.235 194 D HN 0.652 nan 8.370 nan 0.000 0.503 195 A N 1.455 124.259 122.820 -0.026 0.000 2.076 195 A HA -0.195 4.124 4.320 -0.002 0.000 0.220 195 A C 1.363 178.942 177.584 -0.008 0.000 1.160 195 A CA 1.298 53.331 52.037 -0.006 0.000 0.653 195 A CB -0.205 18.793 19.000 -0.003 0.000 0.801 195 A HN 0.487 nan 8.150 nan 0.000 0.455 196 N N -1.569 117.120 118.700 -0.018 0.000 2.203 196 N HA 0.220 4.959 4.740 -0.002 0.000 0.207 196 N C 1.070 176.567 175.510 -0.022 0.000 1.130 196 N CA 0.906 53.946 53.050 -0.016 0.000 0.861 196 N CB 0.896 39.374 38.487 -0.015 0.000 1.005 196 N HN 0.596 nan 8.380 nan 0.000 0.507 197 G N 0.986 109.769 108.800 -0.028 0.000 2.217 197 G HA2 -0.247 3.712 3.960 -0.002 0.000 0.246 197 G HA3 -0.247 3.712 3.960 -0.002 0.000 0.246 197 G C -0.033 174.841 174.900 -0.044 0.000 0.990 197 G CA -0.433 44.649 45.100 -0.031 0.000 0.627 197 G HN 0.279 nan 8.290 nan 0.000 0.522 198 N N 0.603 119.270 118.700 -0.054 0.000 2.513 198 N HA 0.383 5.122 4.740 -0.002 0.000 0.268 198 N C 0.140 175.600 175.510 -0.084 0.000 1.180 198 N CA -0.160 52.849 53.050 -0.069 0.000 0.948 198 N CB 1.700 40.141 38.487 -0.077 0.000 1.083 198 N HN 0.420 nan 8.380 nan 0.000 0.455 199 L N 3.108 124.281 121.223 -0.082 0.000 2.367 199 L HA 0.283 4.622 4.340 -0.002 0.000 0.275 199 L C -0.147 176.658 176.870 -0.107 0.000 1.129 199 L CA 0.287 55.074 54.840 -0.088 0.000 0.839 199 L CB 0.199 42.216 42.059 -0.070 0.000 1.133 199 L HN 0.349 nan 8.230 nan 0.000 0.453 200 R N 5.471 125.901 120.500 -0.117 0.000 2.584 200 R HA 0.477 4.816 4.340 -0.002 0.000 0.276 200 R C -1.577 174.657 176.300 -0.110 0.000 1.046 200 R CA -0.719 55.299 56.100 -0.136 0.000 0.906 200 R CB 1.669 31.866 30.300 -0.172 0.000 1.215 200 R HN 0.639 nan 8.270 nan 0.000 0.449 201 L N 3.127 124.296 121.223 -0.090 0.000 2.295 201 L HA 0.469 4.808 4.340 -0.002 0.000 0.285 201 L C -0.020 176.829 176.870 -0.036 0.000 1.035 201 L CA -0.518 54.295 54.840 -0.044 0.000 0.806 201 L CB 0.967 43.005 42.059 -0.034 0.000 1.214 201 L HN 0.153 nan 8.230 nan 0.000 0.426 202 K N 2.061 122.467 120.400 0.011 0.000 2.371 202 K HA 0.477 4.796 4.320 -0.002 0.000 0.251 202 K C -0.805 175.875 176.600 0.134 0.000 0.934 202 K CA -0.630 55.691 56.287 0.057 0.000 0.798 202 K CB 2.269 34.746 32.500 -0.037 0.000 1.204 202 K HN 0.409 nan 8.250 nan 0.000 0.427 203 S N 1.183 116.968 115.700 0.142 0.000 2.592 203 S HA 0.037 4.506 4.470 -0.002 0.000 0.271 203 S C -0.199 174.539 174.600 0.231 0.000 1.326 203 S CA -0.391 57.858 58.200 0.082 0.000 1.024 203 S CB 0.637 63.865 63.200 0.046 0.000 0.921 203 S HN 0.429 nan 8.310 nan 0.000 0.527 204 D N 1.921 122.396 120.400 0.125 0.000 2.358 204 D HA 0.186 4.825 4.640 -0.002 0.000 0.258 204 D C -1.637 174.782 176.300 0.198 0.000 1.223 204 D CA -1.966 52.234 54.000 0.333 0.000 0.886 204 D CB 1.129 42.102 40.800 0.289 0.000 1.120 204 D HN 0.084 nan 8.370 nan 0.000 0.482 205 P HA -0.131 nan 4.420 nan 0.000 0.219 205 P C 0.252 177.572 177.300 0.034 0.000 1.146 205 P CA 1.112 64.206 63.100 -0.010 0.000 0.808 205 P CB -0.034 31.476 31.700 -0.317 0.000 0.779 206 Y N -0.866 119.454 120.300 0.033 0.000 2.645 206 Y HA 0.387 4.936 4.550 -0.002 0.000 0.307 206 Y C 0.977 176.488 175.900 -0.649 0.000 1.151 206 Y CA -0.841 57.057 58.100 -0.338 0.000 1.291 206 Y CB -0.768 37.472 38.460 -0.366 0.000 1.135 206 Y HN -0.158 nan 8.280 nan 0.000 0.523 207 A N -0.029 122.677 122.820 -0.189 0.000 2.515 207 A HA 0.082 4.401 4.320 -0.002 0.000 0.263 207 A C 0.347 177.834 177.584 -0.162 0.000 1.096 207 A CA 0.041 51.966 52.037 -0.186 0.000 0.769 207 A CB -0.327 18.650 19.000 -0.038 0.000 1.040 207 A HN 0.505 nan 8.150 nan 0.000 0.505 208 F N 0.830 120.882 119.950 0.170 0.000 2.615 208 F HA 0.205 4.731 4.527 -0.002 0.000 0.297 208 F C 1.129 177.073 175.800 0.240 0.000 1.124 208 F CA 0.929 59.057 58.000 0.213 0.000 1.451 208 F CB 0.027 39.153 39.000 0.210 0.000 1.103 208 F HN 0.674 nan 8.300 nan 0.000 0.569 209 E N -0.402 119.980 120.200 0.303 0.000 2.352 209 E HA 0.641 4.990 4.350 -0.002 0.000 0.280 209 E C -1.423 175.264 176.600 0.145 0.000 0.930 209 E CA -0.699 55.843 56.400 0.238 0.000 0.765 209 E CB 1.848 31.697 29.700 0.249 0.000 1.219 209 E HN -0.030 nan 8.360 nan 0.000 0.434 210 A N 3.191 126.076 122.820 0.109 0.000 2.311 210 A HA 0.465 4.784 4.320 -0.002 0.000 0.334 210 A C -0.183 177.427 177.584 0.044 0.000 1.139 210 A CA -0.547 51.520 52.037 0.051 0.000 0.830 210 A CB 1.439 20.456 19.000 0.028 0.000 1.234 210 A HN 0.714 nan 8.150 nan 0.000 0.483 211 Q N 0.313 120.126 119.800 0.022 0.000 2.584 211 Q HA 0.306 4.645 4.340 -0.002 0.000 0.235 211 Q C -0.317 175.683 176.000 -0.001 0.000 1.079 211 Q CA 0.070 55.886 55.803 0.022 0.000 0.977 211 Q CB 0.281 29.027 28.738 0.014 0.000 1.293 211 Q HN 0.729 nan 8.270 nan 0.000 0.553 212 M N 2.063 121.664 119.600 0.002 0.000 2.043 212 M HA 0.386 4.865 4.480 -0.002 0.000 0.322 212 M C -0.940 175.345 176.300 -0.025 0.000 0.962 212 M CA 0.050 55.342 55.300 -0.013 0.000 0.927 212 M CB 1.313 33.920 32.600 0.012 0.000 1.466 212 M HN 0.876 nan 8.290 nan 0.000 0.412 213 R N 2.506 122.978 120.500 -0.047 0.000 2.636 213 R HA 0.272 4.611 4.340 -0.002 0.000 0.259 213 R C -1.271 174.973 176.300 -0.093 0.000 0.970 213 R CA 0.117 56.173 56.100 -0.072 0.000 1.107 213 R CB 0.341 30.593 30.300 -0.079 0.000 1.687 213 R HN 0.526 nan 8.270 nan 0.000 0.527 214 P HA 0.053 nan 4.420 nan 0.000 0.235 214 P C 0.064 177.312 177.300 -0.086 0.000 1.177 214 P CA 0.683 63.727 63.100 -0.094 0.000 0.785 214 P CB 0.450 32.104 31.700 -0.076 0.000 0.885 215 E N -0.024 120.130 120.200 -0.076 0.000 2.299 215 E HA 0.023 4.372 4.350 -0.002 0.000 0.193 215 E C 0.224 176.774 176.600 -0.083 0.000 0.998 215 E CA 0.504 56.855 56.400 -0.082 0.000 0.851 215 E CB -0.576 29.079 29.700 -0.076 0.000 0.795 215 E HN 0.118 nan 8.360 nan 0.000 0.492 216 T N 0.700 115.213 114.554 -0.068 0.000 0.541 216 T HA 0.002 4.351 4.350 -0.002 0.000 0.774 216 T C -0.452 174.219 174.700 -0.050 0.000 0.992 216 T CA 0.937 63.003 62.100 -0.056 0.000 4.077 216 T CB -0.381 68.454 68.868 -0.054 0.000 2.303 216 T HN 0.884 nan 8.240 nan 0.000 0.398 217 A N 0.715 123.506 122.820 -0.048 0.000 2.434 217 A HA 0.407 4.726 4.320 -0.002 0.000 0.686 217 A C 0.016 177.547 177.584 -0.087 0.000 0.138 217 A CA 0.248 52.254 52.037 -0.051 0.000 0.028 217 A CB -0.996 18.031 19.000 0.044 0.000 3.971 217 A HN 1.727 nan 8.150 nan 0.000 0.548 218 S N 0.726 116.266 115.700 -0.267 0.000 2.654 218 S HA 0.800 5.269 4.470 -0.002 0.000 0.283 218 S C -0.118 174.436 174.600 -0.076 0.000 1.180 218 S CA -0.474 57.559 58.200 -0.279 0.000 1.021 218 S CB 1.616 64.448 63.200 -0.613 0.000 1.018 218 S HN 1.321 nan 8.310 nan 0.000 0.532 219 L N 2.122 123.430 121.223 0.141 0.000 2.333 219 L HA 0.563 4.902 4.340 -0.002 0.000 0.280 219 L C -1.016 176.055 176.870 0.336 0.000 1.004 219 L CA -0.778 54.213 54.840 0.251 0.000 0.820 219 L CB 0.858 43.026 42.059 0.183 0.000 1.247 219 L HN 0.625 nan 8.230 nan 0.000 0.416 220 I N 4.812 125.567 120.570 0.309 0.000 2.668 220 I HA 0.116 4.285 4.170 -0.002 0.000 0.285 220 I C -0.094 176.105 176.117 0.138 0.000 1.168 220 I CA 0.252 61.641 61.300 0.148 0.000 1.424 220 I CB -0.082 37.911 38.000 -0.011 0.000 1.377 220 I HN 0.684 nan 8.210 nan 0.000 0.560 221 C N 3.090 122.479 119.300 0.149 0.000 3.292 221 C HA 0.763 5.222 4.460 -0.002 0.000 0.338 221 C C 0.453 175.520 174.990 0.128 0.000 1.323 221 C CA -0.683 58.417 59.018 0.136 0.000 1.232 221 C CB 0.576 28.422 27.740 0.176 0.000 1.517 221 C HN 0.866 nan 8.230 nan 0.000 0.470 222 G N 0.156 108.991 108.800 0.058 0.000 2.666 222 G HA2 0.553 4.512 3.960 -0.002 0.000 0.207 222 G HA3 0.553 4.512 3.960 -0.002 0.000 0.207 222 G C -0.705 174.103 174.900 -0.153 0.000 1.481 222 G CA -0.408 44.687 45.100 -0.007 0.000 1.071 222 G HN 0.707 nan 8.290 nan 0.000 0.572 223 L N 1.244 122.361 121.223 -0.177 0.000 2.379 223 L HA 0.447 4.786 4.340 -0.002 0.000 0.269 223 L C -1.697 175.074 176.870 -0.164 0.000 1.084 223 L CA -1.935 52.758 54.840 -0.244 0.000 0.802 223 L CB 0.741 42.731 42.059 -0.116 0.000 1.175 223 L HN 0.236 nan 8.230 nan 0.000 0.448 224 P HA 0.130 nan 4.420 nan 0.000 0.272 224 P C -0.667 176.514 177.300 -0.198 0.000 1.240 224 P CA -0.599 62.344 63.100 -0.261 0.000 0.791 224 P CB 0.429 31.817 31.700 -0.519 0.000 0.978 225 E N 1.182 121.292 120.200 -0.151 0.000 2.481 225 E HA -0.052 4.297 4.350 -0.002 0.000 0.263 225 E C -0.220 176.297 176.600 -0.139 0.000 0.992 225 E CA 0.377 56.709 56.400 -0.114 0.000 0.938 225 E CB 0.132 29.780 29.700 -0.088 0.000 0.933 225 E HN 0.126 nan 8.360 nan 0.000 0.453 226 K N 1.526 121.867 120.400 -0.097 0.000 2.527 226 K HA 0.085 4.404 4.320 -0.002 0.000 0.278 226 K C -0.908 175.639 176.600 -0.089 0.000 0.981 226 K CA 0.001 56.237 56.287 -0.085 0.000 1.009 226 K CB 0.566 33.035 32.500 -0.052 0.000 0.895 226 K HN 0.250 nan 8.250 nan 0.000 0.493 227 V N 3.723 123.587 119.914 -0.084 0.000 2.495 227 V HA 0.231 4.350 4.120 -0.002 0.000 0.298 227 V C -0.460 175.599 176.094 -0.058 0.000 1.031 227 V CA -0.911 61.348 62.300 -0.069 0.000 0.871 227 V CB 1.940 33.728 31.823 -0.058 0.000 0.988 227 V HN 0.421 nan 8.190 nan 0.000 0.432 228 V N 4.675 124.551 119.914 -0.063 0.000 2.394 228 V HA 0.317 4.436 4.120 -0.002 0.000 0.282 228 V C 0.233 176.272 176.094 -0.091 0.000 1.031 228 V CA -0.419 61.840 62.300 -0.068 0.000 0.881 228 V CB 1.496 33.281 31.823 -0.064 0.000 0.982 228 V HN 0.929 nan 8.190 nan 0.000 0.451 229 Q N 2.867 122.610 119.800 -0.096 0.000 2.313 229 Q HA 0.235 4.575 4.340 -0.002 0.000 0.266 229 Q C 0.345 176.266 176.000 -0.132 0.000 0.989 229 Q CA -0.332 55.391 55.803 -0.133 0.000 0.890 229 Q CB 0.974 29.640 28.738 -0.120 0.000 1.200 229 Q HN 0.940 nan 8.270 nan 0.000 0.396 230 T N 0.739 115.195 114.554 -0.164 0.000 2.899 230 T HA 0.123 4.472 4.350 -0.002 0.000 0.295 230 T C 0.987 175.614 174.700 -0.122 0.000 1.033 230 T CA -0.874 61.145 62.100 -0.135 0.000 1.084 230 T CB 1.003 69.783 68.868 -0.147 0.000 0.979 230 T HN 0.566 nan 8.240 nan 0.000 0.532 231 E N 1.415 121.557 120.200 -0.097 0.000 2.070 231 E HA -0.182 4.167 4.350 -0.002 0.000 0.197 231 E C 2.234 178.780 176.600 -0.091 0.000 1.004 231 E CA 1.619 57.967 56.400 -0.086 0.000 0.805 231 E CB -0.197 29.462 29.700 -0.068 0.000 0.744 231 E HN 0.889 nan 8.360 nan 0.000 0.451 232 E N 1.106 121.251 120.200 -0.093 0.000 2.085 232 E HA -0.188 4.161 4.350 -0.002 0.000 0.194 232 E C 2.017 178.552 176.600 -0.108 0.000 0.994 232 E CA 0.913 57.259 56.400 -0.090 0.000 0.801 232 E CB -0.589 29.060 29.700 -0.084 0.000 0.743 232 E HN 0.267 nan 8.360 nan 0.000 0.453 233 R N 0.968 121.381 120.500 -0.144 0.000 2.115 233 R HA 0.020 4.359 4.340 -0.002 0.000 0.230 233 R C 2.472 178.692 176.300 -0.133 0.000 1.111 233 R CA 1.043 57.041 56.100 -0.170 0.000 0.976 233 R CB -0.187 29.958 30.300 -0.259 0.000 0.870 233 R HN 0.210 nan 8.270 nan 0.000 0.445 234 K N 1.081 121.405 120.400 -0.127 0.000 2.032 234 K HA -0.197 4.122 4.320 -0.002 0.000 0.209 234 K C 2.132 178.671 176.600 -0.102 0.000 1.048 234 K CA 1.517 57.730 56.287 -0.122 0.000 0.927 234 K CB -0.140 32.287 32.500 -0.122 0.000 0.712 234 K HN 0.088 nan 8.250 nan 0.000 0.441 235 K N 1.068 121.419 120.400 -0.081 0.000 2.148 235 K HA -0.073 4.246 4.320 -0.002 0.000 0.204 235 K C 1.883 178.469 176.600 -0.023 0.000 1.050 235 K CA 1.208 57.462 56.287 -0.055 0.000 0.942 235 K CB -0.056 32.416 32.500 -0.047 0.000 0.724 235 K HN 0.097 nan 8.250 nan 0.000 0.446 236 A N 0.844 123.650 122.820 -0.023 0.000 2.209 236 A HA -0.052 4.267 4.320 -0.002 0.000 0.212 236 A C 1.196 178.869 177.584 0.150 0.000 1.158 236 A CA 1.115 53.171 52.037 0.032 0.000 0.742 236 A CB -0.479 18.504 19.000 -0.029 0.000 0.790 236 A HN 0.557 nan 8.150 nan 0.000 0.472 237 N N -0.832 117.920 118.700 0.086 0.000 2.299 237 N HA 0.015 4.754 4.740 -0.002 0.000 0.187 237 N C 0.152 175.730 175.510 0.112 0.000 1.099 237 N CA -0.227 52.896 53.050 0.122 0.000 0.867 237 N CB 0.191 38.691 38.487 0.022 0.000 0.974 237 N HN 0.376 nan 8.380 nan 0.000 0.477 238 Q N 0.004 119.831 119.800 0.046 0.000 2.407 238 Q HA 0.111 4.450 4.340 -0.002 0.000 0.214 238 Q C 0.915 177.061 176.000 0.244 0.000 1.043 238 Q CA 0.068 55.858 55.803 -0.022 0.000 0.983 238 Q CB 0.325 29.020 28.738 -0.071 0.000 1.211 238 Q HN 0.232 nan 8.270 nan 0.000 0.564 239 F N 0.599 120.738 119.950 0.315 0.000 2.216 239 F HA -0.200 4.320 4.527 -0.011 0.000 0.300 239 F C 1.596 177.599 175.800 0.338 0.000 1.085 239 F CA 0.882 59.147 58.000 0.442 0.000 1.326 239 F CB 0.106 39.348 39.000 0.403 0.000 1.027 239 F HN 0.514 nan 8.300 nan 0.000 0.497 240 D N 0.009 120.636 120.400 0.377 0.000 2.325 240 D HA 0.161 4.800 4.640 -0.002 0.000 0.225 240 D C 0.345 176.790 176.300 0.242 0.000 1.096 240 D CA 0.131 54.285 54.000 0.256 0.000 0.844 240 D CB -0.414 40.496 40.800 0.184 0.000 0.925 240 D HN 0.084 nan 8.370 nan 0.000 0.513 241 A N 1.483 124.424 122.820 0.201 0.000 2.295 241 A HA 0.584 4.903 4.320 -0.002 0.000 0.318 241 A C -2.535 175.006 177.584 -0.071 0.000 1.134 241 A CA -1.564 50.507 52.037 0.055 0.000 0.827 241 A CB 0.729 19.761 19.000 0.053 0.000 1.136 241 A HN 0.007 nan 8.150 nan 0.000 0.493 242 P HA 0.363 nan 4.420 nan 0.000 0.282 242 P C -1.038 176.234 177.300 -0.048 0.000 1.274 242 P CA 0.407 63.177 63.100 -0.549 0.000 0.770 242 P CB 0.482 31.475 31.700 -1.179 0.000 0.867 243 I N 2.316 122.984 120.570 0.163 0.000 2.411 243 I HA 0.216 4.385 4.170 -0.002 0.000 0.284 243 I C 0.182 176.355 176.117 0.093 0.000 1.012 243 I CA -0.362 60.981 61.300 0.073 0.000 1.119 243 I CB 1.670 39.575 38.000 -0.158 0.000 1.261 243 I HN 0.231 nan 8.210 nan 0.000 0.448 244 S N 7.574 123.395 115.700 0.202 0.000 2.640 244 S HA 0.643 5.112 4.470 -0.002 0.000 0.320 244 S C -0.596 174.228 174.600 0.372 0.000 1.097 244 S CA -0.441 57.887 58.200 0.214 0.000 1.092 244 S CB 0.472 63.874 63.200 0.336 0.000 0.988 244 S HN 0.411 nan 8.310 nan 0.000 0.470 245 I N 4.805 125.506 120.570 0.218 0.000 2.359 245 I HA 0.337 4.506 4.170 -0.002 0.000 0.294 245 I C -0.644 175.544 176.117 0.119 0.000 0.987 245 I CA -0.821 60.589 61.300 0.182 0.000 1.225 245 I CB 1.247 39.272 38.000 0.043 0.000 1.366 245 I HN 0.639 nan 8.210 nan 0.000 0.466 246 Y N 6.113 126.249 120.300 -0.273 0.000 2.385 246 Y HA 0.274 4.823 4.550 -0.002 0.000 0.341 246 Y C 0.226 175.993 175.900 -0.222 0.000 0.965 246 Y CA -0.533 57.202 58.100 -0.607 0.000 1.180 246 Y CB 0.771 38.556 38.460 -1.125 0.000 1.139 246 Y HN 0.557 nan 8.280 nan 0.000 0.502 247 E N 5.361 125.350 120.200 -0.352 0.000 2.229 247 E HA 0.439 4.788 4.350 -0.002 0.000 0.283 247 E C -1.576 174.769 176.600 -0.425 0.000 1.030 247 E CA -0.414 55.886 56.400 -0.167 0.000 0.836 247 E CB 1.028 30.821 29.700 0.155 0.000 1.068 247 E HN 0.507 nan 8.360 nan 0.000 0.401 248 V N 4.728 124.476 119.914 -0.277 0.000 2.760 248 V HA 0.157 4.276 4.120 -0.002 0.000 0.309 248 V C -0.523 175.529 176.094 -0.071 0.000 1.077 248 V CA -0.874 61.226 62.300 -0.334 0.000 0.910 248 V CB 1.809 33.401 31.823 -0.384 0.000 1.008 248 V HN 0.698 nan 8.190 nan 0.000 0.424 249 H N 4.848 123.854 119.070 -0.106 0.000 2.581 249 H HA 0.393 4.948 4.556 -0.002 0.000 0.308 249 H C 0.479 175.842 175.328 0.059 0.000 1.040 249 H CA -0.518 55.548 56.048 0.030 0.000 1.231 249 H CB 1.508 31.377 29.762 0.178 0.000 1.396 249 H HN 0.667 nan 8.280 nan 0.000 0.467 250 L N 3.589 124.597 121.223 -0.358 0.000 2.187 250 L HA -0.107 4.232 4.340 -0.002 0.000 0.213 250 L C 2.503 179.114 176.870 -0.432 0.000 1.100 250 L CA 1.364 55.893 54.840 -0.519 0.000 0.765 250 L CB -0.263 41.213 42.059 -0.972 0.000 0.904 250 L HN 0.698 nan 8.230 nan 0.000 0.437 251 G N -0.982 107.616 108.800 -0.335 0.000 2.598 251 G HA2 -0.135 3.824 3.960 -0.002 0.000 0.215 251 G HA3 -0.135 3.824 3.960 -0.002 0.000 0.215 251 G C 1.252 176.529 174.900 0.627 0.000 1.131 251 G CA 0.907 46.128 45.100 0.201 0.000 0.785 251 G HN 0.523 nan 8.290 nan 0.000 0.539 252 S N -2.858 113.202 115.700 0.599 0.000 2.911 252 S HA 0.049 4.519 4.470 -0.002 0.000 0.261 252 S C 1.111 176.041 174.600 0.551 0.000 1.021 252 S CA -0.228 58.363 58.200 0.653 0.000 1.222 252 S CB -0.462 63.240 63.200 0.838 0.000 1.171 252 S HN 0.359 nan 8.310 nan 0.000 0.669 253 W N 2.965 124.429 121.300 0.273 0.000 2.354 253 W HA 0.304 4.964 4.660 -0.001 0.000 0.315 253 W C 0.841 177.605 176.519 0.410 0.000 1.206 253 W CA 1.118 58.618 57.345 0.257 0.000 1.290 253 W CB 0.102 29.643 29.460 0.136 0.000 1.152 253 W HN 0.211 nan 8.180 nan 0.000 0.489 254 R N -0.317 120.371 120.500 0.312 0.000 2.774 254 R HA 0.415 4.754 4.340 -0.002 0.000 0.272 254 R C -0.913 175.469 176.300 0.137 0.000 1.000 254 R CA -0.867 55.263 56.100 0.049 0.000 0.906 254 R CB 1.743 31.889 30.300 -0.258 0.000 1.227 254 R HN -0.297 nan 8.270 nan 0.000 0.468 255 R N 0.470 121.005 120.500 0.058 0.000 2.836 255 R HA 0.315 4.654 4.340 -0.002 0.000 0.269 255 R C -1.034 175.250 176.300 -0.026 0.000 1.010 255 R CA -1.106 55.049 56.100 0.092 0.000 0.930 255 R CB 1.256 31.651 30.300 0.158 0.000 1.218 255 R HN 0.667 nan 8.270 nan 0.000 0.473 256 H N 0.288 119.424 119.070 0.111 0.000 2.764 256 H HA 0.023 4.578 4.556 -0.002 0.000 0.341 256 H C 1.218 176.554 175.328 0.013 0.000 1.072 256 H CA 0.870 56.944 56.048 0.044 0.000 1.444 256 H CB 0.920 30.698 29.762 0.026 0.000 1.458 256 H HN 0.631 nan 8.280 nan 0.000 0.572 257 T N -0.081 114.529 114.554 0.094 0.000 2.545 257 T HA -0.170 4.179 4.350 -0.002 0.000 0.261 257 T C 0.449 175.164 174.700 0.025 0.000 1.097 257 T CA 1.095 63.219 62.100 0.041 0.000 1.189 257 T CB -0.215 68.662 68.868 0.014 0.000 0.863 257 T HN 0.493 nan 8.240 nan 0.000 0.405 258 D N 1.959 122.357 120.400 -0.004 0.000 2.453 258 D HA 0.493 5.132 4.640 -0.002 0.000 0.223 258 D C 0.451 176.693 176.300 -0.095 0.000 1.183 258 D CA -0.078 53.900 54.000 -0.038 0.000 0.933 258 D CB 0.334 41.104 40.800 -0.049 0.000 1.038 258 D HN 0.273 nan 8.370 nan 0.000 0.513 259 N N 1.243 119.904 118.700 -0.065 0.000 2.478 259 N HA -0.122 4.617 4.740 -0.002 0.000 0.291 259 N C -0.019 175.579 175.510 0.147 0.000 1.278 259 N CA -0.065 52.902 53.050 -0.139 0.000 2.393 259 N CB -0.504 37.785 38.487 -0.329 0.000 1.989 259 N HN 0.400 nan 8.380 nan 0.000 1.177 260 N N -0.208 118.584 118.700 0.153 0.000 2.708 260 N HA -0.202 4.537 4.740 -0.002 0.000 0.251 260 N C -1.050 174.611 175.510 0.251 0.000 1.123 260 N CA 0.344 53.496 53.050 0.171 0.000 0.739 260 N CB -1.095 37.445 38.487 0.088 0.000 1.113 260 N HN 0.298 nan 8.380 nan 0.000 0.561 261 F N 0.475 120.451 119.950 0.042 0.000 2.429 261 F HA 0.113 4.639 4.527 -0.002 0.000 0.348 261 F C 1.188 177.129 175.800 0.234 0.000 1.109 261 F CA -1.127 56.902 58.000 0.049 0.000 1.232 261 F CB 0.337 39.392 39.000 0.092 0.000 1.157 261 F HN -0.025 nan 8.300 nan 0.000 0.564 262 W N 4.455 125.951 121.300 0.327 0.000 2.293 262 W HA 0.018 4.678 4.660 -0.001 0.000 0.342 262 W C 0.005 176.731 176.519 0.345 0.000 1.274 262 W CA -0.665 56.866 57.345 0.310 0.000 1.290 262 W CB -0.116 29.535 29.460 0.318 0.000 1.176 262 W HN 0.258 nan 8.180 nan 0.000 0.570 263 L N 3.459 124.943 121.223 0.435 0.000 2.426 263 L HA 0.028 4.367 4.340 -0.002 0.000 0.271 263 L C 1.215 178.234 176.870 0.249 0.000 1.169 263 L CA -0.114 54.892 54.840 0.277 0.000 0.836 263 L CB 0.341 42.464 42.059 0.108 0.000 1.112 263 L HN 0.425 nan 8.230 nan 0.000 0.465 264 S N 1.373 117.220 115.700 0.244 0.000 2.600 264 S HA 0.079 4.548 4.470 -0.002 0.000 0.265 264 S C 1.013 175.650 174.600 0.061 0.000 1.325 264 S CA -0.417 57.886 58.200 0.171 0.000 1.002 264 S CB 0.503 63.824 63.200 0.201 0.000 0.921 264 S HN 0.426 nan 8.310 nan 0.000 0.554 265 Y N 1.137 121.504 120.300 0.112 0.000 2.151 265 Y HA -0.139 4.411 4.550 -0.001 0.000 0.284 265 Y C 2.820 178.791 175.900 0.118 0.000 1.166 265 Y CA 1.954 60.056 58.100 0.005 0.000 1.163 265 Y CB -0.525 38.043 38.460 0.179 0.000 0.974 265 Y HN 0.648 nan 8.280 nan 0.000 0.511 266 R N -0.141 120.543 120.500 0.307 0.000 2.092 266 R HA -0.151 4.188 4.340 -0.002 0.000 0.231 266 R C 2.096 178.533 176.300 0.229 0.000 1.119 266 R CA 1.554 57.791 56.100 0.228 0.000 0.970 266 R CB -0.265 30.043 30.300 0.015 0.000 0.864 266 R HN 0.457 nan 8.270 nan 0.000 0.440 267 E N 0.536 120.845 120.200 0.183 0.000 2.150 267 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 267 E C 1.913 178.613 176.600 0.167 0.000 0.985 267 E CA 0.783 57.283 56.400 0.167 0.000 0.814 267 E CB 0.016 29.817 29.700 0.168 0.000 0.752 267 E HN 0.260 nan 8.360 nan 0.000 0.466 268 L N 0.377 121.680 121.223 0.132 0.000 2.201 268 L HA -0.144 4.195 4.340 -0.002 0.000 0.212 268 L C 2.437 179.500 176.870 0.320 0.000 1.105 268 L CA 0.762 55.660 54.840 0.096 0.000 0.775 268 L CB -0.305 41.612 42.059 -0.236 0.000 0.913 268 L HN 0.154 nan 8.230 nan 0.000 0.440 269 A N 0.820 123.906 122.820 0.443 0.000 1.930 269 A HA -0.211 4.108 4.320 -0.002 0.000 0.217 269 A C 1.591 179.329 177.584 0.256 0.000 1.175 269 A CA 1.893 54.196 52.037 0.444 0.000 0.627 269 A CB -0.511 18.816 19.000 0.545 0.000 0.815 269 A HN 0.602 nan 8.150 nan 0.000 0.443 270 D N -1.954 118.585 120.400 0.232 0.000 2.369 270 D HA 0.134 4.773 4.640 -0.002 0.000 0.211 270 D C 1.489 177.876 176.300 0.145 0.000 1.077 270 D CA 0.255 54.354 54.000 0.166 0.000 0.842 270 D CB 0.277 41.167 40.800 0.149 0.000 0.947 270 D HN 0.562 nan 8.370 nan 0.000 0.509 271 Q N -0.505 119.396 119.800 0.168 0.000 2.644 271 Q HA 0.191 4.530 4.340 -0.002 0.000 0.220 271 Q C 1.516 177.651 176.000 0.226 0.000 0.866 271 Q CA -0.185 55.733 55.803 0.192 0.000 0.915 271 Q CB 0.115 28.977 28.738 0.206 0.000 1.191 271 Q HN 0.169 nan 8.270 nan 0.000 0.641 272 L N 0.781 122.049 121.223 0.076 0.000 2.109 272 L HA -0.042 4.297 4.340 -0.002 0.000 0.207 272 L C 1.976 178.875 176.870 0.049 0.000 1.086 272 L CA 1.331 56.028 54.840 -0.239 0.000 0.760 272 L CB -0.404 41.257 42.059 -0.664 0.000 0.910 272 L HN -0.008 nan 8.230 nan 0.000 0.437 273 V N 0.873 120.849 119.914 0.105 0.000 2.233 273 V HA -0.187 3.932 4.120 -0.002 0.000 0.247 273 V C 0.054 176.219 176.094 0.118 0.000 1.050 273 V CA 2.412 64.753 62.300 0.068 0.000 1.010 273 V CB -1.766 30.050 31.823 -0.012 0.000 0.637 273 V HN 0.353 nan 8.190 nan 0.000 0.444 274 P HA -0.207 nan 4.420 nan 0.000 0.216 274 P C 1.549 179.000 177.300 0.253 0.000 1.150 274 P CA 1.599 64.800 63.100 0.167 0.000 0.843 274 P CB -0.148 31.634 31.700 0.138 0.000 0.787 275 Y N 0.808 121.210 120.300 0.169 0.000 2.097 275 Y HA -0.211 4.338 4.550 -0.002 0.000 0.282 275 Y C 2.386 178.433 175.900 0.245 0.000 1.152 275 Y CA 1.995 60.242 58.100 0.244 0.000 1.136 275 Y CB -1.030 37.637 38.460 0.345 0.000 0.975 275 Y HN -0.113 nan 8.280 nan 0.000 0.498 276 A N 0.163 123.110 122.820 0.212 0.000 1.969 276 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 276 A C 2.270 179.943 177.584 0.148 0.000 1.169 276 A CA 1.736 53.834 52.037 0.101 0.000 0.635 276 A CB -0.723 18.344 19.000 0.111 0.000 0.810 276 A HN 0.572 nan 8.150 nan 0.000 0.445 277 K N -1.204 119.278 120.400 0.136 0.000 2.031 277 K HA -0.171 4.148 4.320 -0.002 0.000 0.205 277 K C 2.035 178.702 176.600 0.111 0.000 1.049 277 K CA 1.232 57.587 56.287 0.114 0.000 0.939 277 K CB -0.450 32.115 32.500 0.108 0.000 0.717 277 K HN 0.668 nan 8.250 nan 0.000 0.438 278 W N 1.136 122.414 121.300 -0.037 0.000 2.321 278 W HA -0.243 4.417 4.660 -0.001 0.000 0.306 278 W C 1.385 177.830 176.519 -0.123 0.000 1.217 278 W CA 1.189 58.496 57.345 -0.064 0.000 1.257 278 W CB -0.062 29.372 29.460 -0.044 0.000 1.145 278 W HN 0.179 nan 8.180 nan 0.000 0.509 279 M N 0.533 120.067 119.600 -0.111 0.000 2.632 279 M HA 0.009 4.488 4.480 -0.002 0.000 0.256 279 M C 1.873 177.943 176.300 -0.383 0.000 1.080 279 M CA 1.696 56.828 55.300 -0.280 0.000 1.084 279 M CB -1.766 30.687 32.600 -0.245 0.000 1.439 279 M HN 0.303 nan 8.290 nan 0.000 0.509 280 G N 0.323 108.977 108.800 -0.244 0.000 2.143 280 G HA2 -0.265 3.694 3.960 -0.002 0.000 0.249 280 G HA3 -0.265 3.694 3.960 -0.002 0.000 0.249 280 G C 0.048 174.855 174.900 -0.156 0.000 0.981 280 G CA -0.269 44.706 45.100 -0.209 0.000 0.665 280 G HN 0.406 nan 8.290 nan 0.000 0.528 281 F N 0.588 120.549 119.950 0.019 0.000 2.496 281 F HA 0.414 4.940 4.527 -0.002 0.000 0.344 281 F C 2.090 177.950 175.800 0.100 0.000 1.155 281 F CA 0.969 59.031 58.000 0.103 0.000 1.302 281 F CB 0.991 40.056 39.000 0.108 0.000 1.159 281 F HN 0.100 nan 8.300 nan 0.000 0.595 282 T N -3.182 111.585 114.554 0.356 0.000 3.015 282 T HA 0.183 4.532 4.350 -0.002 0.000 0.250 282 T C 0.257 175.064 174.700 0.177 0.000 1.057 282 T CA 0.249 62.492 62.100 0.238 0.000 1.066 282 T CB -0.171 68.863 68.868 0.277 0.000 0.959 282 T HN 0.508 nan 8.240 nan 0.000 0.488 283 H N -0.260 118.906 119.070 0.160 0.000 2.851 283 H HA 0.618 5.173 4.556 -0.002 0.000 0.372 283 H C -1.724 173.670 175.328 0.110 0.000 1.158 283 H CA -1.023 55.089 56.048 0.106 0.000 1.159 283 H CB 2.458 32.269 29.762 0.082 0.000 1.757 283 H HN 0.021 nan 8.280 nan 0.000 0.546 284 L N 2.066 123.393 121.223 0.173 0.000 2.313 284 L HA 0.251 4.590 4.340 -0.002 0.000 0.283 284 L C -0.148 176.791 176.870 0.115 0.000 1.013 284 L CA -0.264 54.646 54.840 0.117 0.000 0.816 284 L CB 1.547 43.642 42.059 0.059 0.000 1.236 284 L HN 0.674 nan 8.230 nan 0.000 0.419 285 E N 4.952 125.203 120.200 0.085 0.000 2.165 285 E HA 0.492 4.841 4.350 -0.002 0.000 0.266 285 E C -1.629 175.009 176.600 0.064 0.000 0.889 285 E CA -0.561 55.899 56.400 0.100 0.000 0.756 285 E CB 0.996 30.781 29.700 0.141 0.000 1.131 285 E HN 0.610 nan 8.360 nan 0.000 0.411 286 L N 4.936 126.201 121.223 0.069 0.000 2.275 286 L HA 0.336 4.675 4.340 -0.002 0.000 0.288 286 L C -0.184 176.695 176.870 0.015 0.000 1.046 286 L CA -1.075 53.784 54.840 0.033 0.000 0.805 286 L CB 0.730 42.820 42.059 0.052 0.000 1.193 286 L HN 0.520 nan 8.230 nan 0.000 0.426 287 L N 5.042 126.268 121.223 0.005 0.000 2.499 287 L HA 0.094 4.433 4.340 -0.002 0.000 0.281 287 L C -1.902 174.894 176.870 -0.123 0.000 1.234 287 L CA -0.724 54.092 54.840 -0.040 0.000 0.839 287 L CB -0.495 41.575 42.059 0.019 0.000 1.104 287 L HN 0.371 nan 8.230 nan 0.000 0.500 288 P HA -0.062 nan 4.420 nan 0.000 0.260 288 P C 0.236 177.417 177.300 -0.199 0.000 1.185 288 P CA 0.213 63.159 63.100 -0.257 0.000 0.763 288 P CB 0.194 31.671 31.700 -0.372 0.000 0.776 289 I N 0.082 120.512 120.570 -0.233 0.000 3.728 289 I HA 0.120 4.289 4.170 -0.002 0.000 0.307 289 I C 0.527 176.554 176.117 -0.151 0.000 1.276 289 I CA -0.572 60.602 61.300 -0.209 0.000 1.285 289 I CB -1.639 36.115 38.000 -0.409 0.000 1.038 289 I HN 0.186 nan 8.210 nan 0.000 0.445 290 N N 3.024 121.653 118.700 -0.117 0.000 1.614 290 N HA -0.241 4.498 4.740 -0.002 0.000 0.364 290 N C 0.161 175.773 175.510 0.170 0.000 1.227 290 N CA 0.420 53.513 53.050 0.071 0.000 0.769 290 N CB 0.176 38.678 38.487 0.026 0.000 0.982 290 N HN 0.398 nan 8.380 nan 0.000 0.526 291 E N 3.066 123.353 120.200 0.145 0.000 2.376 291 E HA 0.013 4.362 4.350 -0.002 0.000 0.266 291 E C -0.641 176.038 176.600 0.132 0.000 1.009 291 E CA 0.253 56.700 56.400 0.077 0.000 0.902 291 E CB 0.317 30.041 29.700 0.040 0.000 0.972 291 E HN 0.479 nan 8.360 nan 0.000 0.439 292 H N 3.104 122.139 119.070 -0.059 0.000 2.996 292 H HA 0.326 4.881 4.556 -0.001 0.000 0.368 292 H C -2.495 172.776 175.328 -0.095 0.000 1.185 292 H CA -2.055 53.966 56.048 -0.045 0.000 1.160 292 H CB 1.359 31.113 29.762 -0.012 0.000 1.820 292 H HN 0.331 nan 8.280 nan 0.000 0.547 293 P HA 0.108 nan 4.420 nan 0.000 0.226 293 P C -0.286 176.671 177.300 -0.571 0.000 1.161 293 P CA 0.529 63.383 63.100 -0.408 0.000 0.804 293 P CB 0.470 31.869 31.700 -0.501 0.000 0.829 294 F N 0.490 120.484 119.950 0.072 0.000 2.477 294 F HA 0.250 4.776 4.527 -0.002 0.000 0.335 294 F C 1.388 177.298 175.800 0.183 0.000 1.130 294 F CA -0.837 57.220 58.000 0.096 0.000 0.948 294 F CB 1.333 40.367 39.000 0.056 0.000 1.154 294 F HN -0.331 nan 8.300 nan 0.000 0.439 295 D N 2.553 123.172 120.400 0.365 0.000 2.149 295 D HA -0.181 4.458 4.640 -0.002 0.000 0.194 295 D C 2.201 178.631 176.300 0.216 0.000 1.001 295 D CA 1.677 55.919 54.000 0.404 0.000 0.849 295 D CB -0.206 40.895 40.800 0.503 0.000 0.939 295 D HN 0.829 nan 8.370 nan 0.000 0.449 296 G N 0.380 109.222 108.800 0.070 0.000 2.679 296 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.212 296 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.212 296 G C 1.601 176.211 174.900 -0.484 0.000 1.137 296 G CA 0.980 45.898 45.100 -0.303 0.000 0.787 296 G HN 0.394 nan 8.290 nan 0.000 0.534 297 S N -0.997 114.577 115.700 -0.211 0.000 2.496 297 S HA -0.051 4.418 4.470 -0.002 0.000 0.224 297 S C 1.385 175.834 174.600 -0.251 0.000 0.996 297 S CA 0.832 58.854 58.200 -0.297 0.000 0.927 297 S CB -0.499 62.672 63.200 -0.047 0.000 0.774 297 S HN 0.629 nan 8.310 nan 0.000 0.524 298 W N 0.402 121.703 121.300 0.002 0.000 2.612 298 W HA -0.244 4.415 4.660 -0.002 0.000 0.266 298 W C 1.274 177.645 176.519 -0.246 0.000 1.034 298 W CA 0.571 57.944 57.345 0.046 0.000 0.531 298 W CB -2.432 27.124 29.460 0.160 0.000 2.052 298 W HN 1.055 nan 8.180 nan 0.000 1.427 299 G N -2.565 105.962 108.800 -0.455 0.000 2.260 299 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.179 299 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.179 299 G C 0.377 174.939 174.900 -0.563 0.000 1.002 299 G CA -0.002 44.486 45.100 -1.020 0.000 0.677 299 G HN 0.320 nan 8.290 nan 0.000 0.486 300 Y N 0.983 121.186 120.300 -0.161 0.000 2.578 300 Y HA 0.321 4.870 4.550 -0.002 0.000 0.297 300 Y C 1.844 177.635 175.900 -0.182 0.000 1.176 300 Y CA 1.119 59.144 58.100 -0.125 0.000 1.315 300 Y CB 0.493 38.852 38.460 -0.168 0.000 1.031 300 Y HN 0.303 nan 8.280 nan 0.000 0.524 301 Q N 1.901 121.676 119.800 -0.041 0.000 2.721 301 Q HA 0.218 4.557 4.340 -0.002 0.000 0.257 301 Q C -2.540 173.503 176.000 0.071 0.000 1.070 301 Q CA -2.184 53.625 55.803 0.010 0.000 0.910 301 Q CB 1.060 29.803 28.738 0.008 0.000 1.163 301 Q HN 0.086 nan 8.270 nan 0.000 0.501 302 P HA 0.046 nan 4.420 nan 0.000 0.274 302 P C 0.221 177.563 177.300 0.070 0.000 1.246 302 P CA 0.031 63.187 63.100 0.094 0.000 0.795 302 P CB 1.545 33.295 31.700 0.084 0.000 1.006 303 T N -3.531 111.067 114.554 0.072 0.000 2.969 303 T HA 0.323 4.672 4.350 -0.002 0.000 0.258 303 T C 0.858 175.587 174.700 0.049 0.000 0.962 303 T CA 0.056 62.178 62.100 0.035 0.000 0.903 303 T CB -0.212 68.671 68.868 0.024 0.000 1.177 303 T HN 0.545 nan 8.240 nan 0.000 0.511 304 G N 1.267 110.117 108.800 0.083 0.000 3.171 304 G HA2 0.547 4.506 3.960 -0.002 0.000 0.305 304 G HA3 0.547 4.506 3.960 -0.002 0.000 0.305 304 G C 0.481 175.472 174.900 0.151 0.000 1.584 304 G CA -0.539 44.627 45.100 0.111 0.000 1.070 304 G HN 0.251 nan 8.290 nan 0.000 0.535 305 L N 0.862 122.169 121.223 0.139 0.000 2.191 305 L HA -0.094 4.245 4.340 -0.002 0.000 0.212 305 L C 1.575 178.435 176.870 -0.017 0.000 1.103 305 L CA 1.313 56.190 54.840 0.061 0.000 0.769 305 L CB -0.119 41.853 42.059 -0.145 0.000 0.908 305 L HN 0.582 nan 8.230 nan 0.000 0.438 306 Y N -0.594 119.685 120.300 -0.035 0.000 2.457 306 Y HA 0.338 4.886 4.550 -0.002 0.000 0.263 306 Y C 0.981 176.923 175.900 0.070 0.000 1.164 306 Y CA -0.288 57.676 58.100 -0.227 0.000 1.274 306 Y CB 0.285 38.472 38.460 -0.454 0.000 1.097 306 Y HN -0.012 nan 8.280 nan 0.000 0.523 307 A N 1.121 124.120 122.820 0.299 0.000 2.287 307 A HA 0.589 4.908 4.320 -0.002 0.000 0.317 307 A C -2.788 174.971 177.584 0.291 0.000 1.220 307 A CA -1.913 50.306 52.037 0.302 0.000 0.835 307 A CB 0.432 19.554 19.000 0.205 0.000 1.180 307 A HN -0.119 nan 8.150 nan 0.000 0.500 308 P HA 0.120 nan 4.420 nan 0.000 0.271 308 P C 0.413 177.744 177.300 0.051 0.000 1.216 308 P CA 0.223 63.346 63.100 0.037 0.000 0.771 308 P CB 0.580 32.187 31.700 -0.154 0.000 0.864 309 T N 2.398 116.950 114.554 -0.004 0.000 2.933 309 T HA -0.066 4.283 4.350 -0.002 0.000 0.306 309 T C 1.343 175.989 174.700 -0.090 0.000 1.045 309 T CA 0.142 62.185 62.100 -0.094 0.000 1.143 309 T CB -0.004 68.714 68.868 -0.251 0.000 1.003 309 T HN 0.250 nan 8.240 nan 0.000 0.540 310 R N 2.946 123.363 120.500 -0.139 0.000 2.307 310 R HA 0.201 4.540 4.340 -0.002 0.000 0.199 310 R C 2.388 178.506 176.300 -0.304 0.000 1.000 310 R CA 0.909 56.950 56.100 -0.098 0.000 1.023 310 R CB -0.236 30.038 30.300 -0.042 0.000 0.908 310 R HN 0.704 nan 8.270 nan 0.000 0.473 311 R N -0.990 119.112 120.500 -0.664 0.000 2.140 311 R HA -0.192 4.147 4.340 -0.002 0.000 0.250 311 R C 0.597 176.251 176.300 -1.077 0.000 1.150 311 R CA 2.229 57.629 56.100 -1.167 0.000 0.966 311 R CB -0.231 28.751 30.300 -2.196 0.000 0.869 311 R HN 0.287 nan 8.270 nan 0.000 0.445 312 F N -1.075 118.548 119.950 -0.544 0.000 2.639 312 F HA 0.388 4.914 4.527 -0.002 0.000 0.302 312 F C 1.003 176.616 175.800 -0.311 0.000 1.097 312 F CA 0.078 57.691 58.000 -0.645 0.000 1.294 312 F CB 1.230 39.417 39.000 -1.354 0.000 1.027 312 F HN 0.193 nan 8.300 nan 0.000 0.550 313 G N 0.533 109.372 108.800 0.065 0.000 2.280 313 G HA2 0.090 4.049 3.960 -0.002 0.000 0.277 313 G HA3 0.090 4.049 3.960 -0.002 0.000 0.277 313 G C -0.418 174.700 174.900 0.364 0.000 1.288 313 G CA -0.600 44.661 45.100 0.268 0.000 1.075 313 G HN 0.233 nan 8.290 nan 0.000 0.480 314 T N -1.970 112.785 114.554 0.335 0.000 2.824 314 T HA 0.544 4.894 4.350 -0.002 0.000 0.277 314 T C 1.654 176.541 174.700 0.312 0.000 0.975 314 T CA 0.736 63.003 62.100 0.279 0.000 0.966 314 T CB 1.440 70.437 68.868 0.216 0.000 1.054 314 T HN 1.375 nan 8.240 nan 0.000 0.533 315 R N 0.073 120.756 120.500 0.304 0.000 2.148 315 R HA 0.034 4.373 4.340 -0.002 0.000 0.223 315 R C 1.234 177.776 176.300 0.403 0.000 1.088 315 R CA 1.374 57.712 56.100 0.396 0.000 0.985 315 R CB -0.855 29.730 30.300 0.476 0.000 0.880 315 R HN 0.558 nan 8.270 nan 0.000 0.451 316 D N 0.844 121.409 120.400 0.275 0.000 2.183 316 D HA -0.089 4.550 4.640 -0.002 0.000 0.203 316 D C 0.953 177.392 176.300 0.232 0.000 0.969 316 D CA 0.993 55.120 54.000 0.212 0.000 0.842 316 D CB -0.220 40.674 40.800 0.156 0.000 0.957 316 D HN 0.256 nan 8.370 nan 0.000 0.484 317 D N -0.054 120.492 120.400 0.244 0.000 2.117 317 D HA -0.155 4.484 4.640 -0.002 0.000 0.197 317 D C 1.835 178.287 176.300 0.253 0.000 0.987 317 D CA 0.505 54.668 54.000 0.271 0.000 0.829 317 D CB -0.358 40.661 40.800 0.365 0.000 0.961 317 D HN 0.202 nan 8.370 nan 0.000 0.460 318 F N 1.979 121.803 119.950 -0.211 0.000 2.146 318 F HA -0.118 4.407 4.527 -0.002 0.000 0.298 318 F C 2.303 178.145 175.800 0.069 0.000 1.096 318 F CA 1.035 58.738 58.000 -0.496 0.000 1.275 318 F CB -0.126 38.392 39.000 -0.803 0.000 1.008 318 F HN -0.231 nan 8.300 nan 0.000 0.480 319 R N -0.420 120.135 120.500 0.091 0.000 2.120 319 R HA -0.234 4.105 4.340 -0.002 0.000 0.234 319 R C 2.135 178.416 176.300 -0.032 0.000 1.123 319 R CA 1.915 58.010 56.100 -0.008 0.000 0.975 319 R CB -1.621 28.698 30.300 0.033 0.000 0.866 319 R HN 0.512 nan 8.270 nan 0.000 0.446 320 Y N -0.280 120.012 120.300 -0.013 0.000 2.181 320 Y HA -0.207 4.342 4.550 -0.001 0.000 0.288 320 Y C 1.842 177.743 175.900 0.003 0.000 1.146 320 Y CA 2.114 60.223 58.100 0.014 0.000 1.164 320 Y CB -0.508 38.006 38.460 0.090 0.000 0.982 320 Y HN 0.172 nan 8.280 nan 0.000 0.515 321 F N 0.136 120.123 119.950 0.063 0.000 2.126 321 F HA -0.264 4.263 4.527 -0.001 0.000 0.299 321 F C 1.875 177.518 175.800 -0.262 0.000 1.096 321 F CA 1.522 59.502 58.000 -0.033 0.000 1.255 321 F CB -0.268 38.777 39.000 0.076 0.000 0.997 321 F HN 0.005 nan 8.300 nan 0.000 0.479 322 I N 0.642 120.865 120.570 -0.578 0.000 2.252 322 I HA -0.241 3.928 4.170 -0.002 0.000 0.245 322 I C 1.955 177.621 176.117 -0.752 0.000 1.102 322 I CA 1.270 62.099 61.300 -0.785 0.000 1.385 322 I CB -1.538 36.057 38.000 -0.674 0.000 1.064 322 I HN 0.162 nan 8.210 nan 0.000 0.414 323 D N 1.385 121.488 120.400 -0.496 0.000 2.123 323 D HA -0.151 4.488 4.640 -0.002 0.000 0.196 323 D C 2.285 178.360 176.300 -0.375 0.000 0.992 323 D CA 1.700 55.480 54.000 -0.366 0.000 0.833 323 D CB -0.081 40.533 40.800 -0.310 0.000 0.954 323 D HN 0.315 nan 8.370 nan 0.000 0.455 324 A N 0.982 123.523 122.820 -0.464 0.000 1.902 324 A HA -0.035 4.284 4.320 -0.002 0.000 0.217 324 A C 2.332 179.731 177.584 -0.308 0.000 1.181 324 A CA 2.271 54.089 52.037 -0.365 0.000 0.623 324 A CB -0.777 18.034 19.000 -0.315 0.000 0.818 324 A HN 0.236 nan 8.150 nan 0.000 0.443 325 A N -0.558 121.984 122.820 -0.464 0.000 1.883 325 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 325 A C 1.934 179.411 177.584 -0.178 0.000 1.186 325 A CA 1.814 53.623 52.037 -0.380 0.000 0.624 325 A CB -1.155 17.506 19.000 -0.566 0.000 0.822 325 A HN 0.767 nan 8.150 nan 0.000 0.444 326 H N -0.894 118.030 119.070 -0.243 0.000 2.352 326 H HA -0.064 4.491 4.556 -0.001 0.000 0.299 326 H C 2.467 177.705 175.328 -0.151 0.000 1.097 326 H CA 0.769 56.704 56.048 -0.187 0.000 1.311 326 H CB 0.002 29.655 29.762 -0.182 0.000 1.377 326 H HN 0.577 nan 8.280 nan 0.000 0.504 327 A N 0.961 123.762 122.820 -0.032 0.000 1.969 327 A HA -0.009 4.310 4.320 -0.002 0.000 0.218 327 A C 2.404 179.962 177.584 -0.044 0.000 1.169 327 A CA 1.126 53.132 52.037 -0.052 0.000 0.635 327 A CB -0.520 18.433 19.000 -0.079 0.000 0.810 327 A HN 0.456 nan 8.150 nan 0.000 0.445 328 A N -1.641 121.148 122.820 -0.051 0.000 2.206 328 A HA 0.394 4.713 4.320 -0.002 0.000 0.211 328 A C 1.720 179.291 177.584 -0.020 0.000 1.158 328 A CA 1.218 53.239 52.037 -0.027 0.000 0.761 328 A CB -0.900 18.086 19.000 -0.023 0.000 0.801 328 A HN 1.877 nan 8.150 nan 0.000 0.473 329 G N -1.386 107.395 108.800 -0.032 0.000 2.142 329 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.225 329 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.225 329 G C -0.132 174.739 174.900 -0.049 0.000 1.015 329 G CA 0.251 45.326 45.100 -0.042 0.000 0.716 329 G HN 0.448 nan 8.290 nan 0.000 0.508 330 L N -0.025 121.171 121.223 -0.044 0.000 2.331 330 L HA 0.488 4.827 4.340 -0.002 0.000 0.275 330 L C 0.707 177.524 176.870 -0.089 0.000 1.022 330 L CA -0.996 53.805 54.840 -0.066 0.000 0.812 330 L CB 1.347 43.381 42.059 -0.042 0.000 1.257 330 L HN 0.153 nan 8.230 nan 0.000 0.435 331 N N 0.164 118.708 118.700 -0.259 0.000 2.476 331 N HA 0.531 5.270 4.740 -0.002 0.000 0.275 331 N C -1.286 174.155 175.510 -0.115 0.000 1.190 331 N CA -0.628 52.263 53.050 -0.265 0.000 0.977 331 N CB 2.138 40.213 38.487 -0.687 0.000 1.200 331 N HN 0.151 nan 8.380 nan 0.000 0.515 332 V N 2.365 122.283 119.914 0.008 0.000 2.487 332 V HA 0.445 4.564 4.120 -0.002 0.000 0.298 332 V C -0.126 176.027 176.094 0.097 0.000 1.028 332 V CA -0.638 61.681 62.300 0.032 0.000 0.860 332 V CB 1.483 33.271 31.823 -0.057 0.000 0.991 332 V HN 0.507 nan 8.190 nan 0.000 0.427 333 I N 5.159 125.808 120.570 0.131 0.000 2.412 333 I HA 0.472 4.641 4.170 -0.002 0.000 0.296 333 I C -0.773 175.399 176.117 0.091 0.000 0.987 333 I CA -0.737 60.644 61.300 0.135 0.000 1.180 333 I CB 1.837 39.941 38.000 0.173 0.000 1.340 333 I HN 0.400 nan 8.210 nan 0.000 0.455 334 L N 5.613 126.871 121.223 0.058 0.000 2.313 334 L HA 0.479 4.818 4.340 -0.002 0.000 0.283 334 L C -0.724 176.183 176.870 0.061 0.000 1.013 334 L CA -0.242 54.596 54.840 -0.002 0.000 0.816 334 L CB 1.172 43.139 42.059 -0.153 0.000 1.236 334 L HN 0.379 nan 8.230 nan 0.000 0.419 335 D N 4.156 124.595 120.400 0.065 0.000 2.434 335 D HA 0.126 4.765 4.640 -0.002 0.000 0.252 335 D C -1.261 175.129 176.300 0.150 0.000 1.185 335 D CA 0.774 54.852 54.000 0.129 0.000 0.886 335 D CB 0.235 41.105 40.800 0.117 0.000 1.148 335 D HN 0.488 nan 8.370 nan 0.000 0.483 336 W N 3.869 125.185 121.300 0.025 0.000 2.702 336 W HA 0.469 5.128 4.660 -0.002 0.000 0.331 336 W C -1.041 175.545 176.519 0.112 0.000 1.049 336 W CA -1.247 56.117 57.345 0.033 0.000 1.230 336 W CB 1.216 30.719 29.460 0.071 0.000 1.408 336 W HN 0.123 nan 8.180 nan 0.000 0.492 337 V N 5.434 125.148 119.914 -0.332 0.000 2.320 337 V HA 0.430 4.549 4.120 -0.002 0.000 0.257 337 V C -2.038 173.815 176.094 -0.402 0.000 0.996 337 V CA -1.394 60.766 62.300 -0.233 0.000 0.928 337 V CB 0.850 32.738 31.823 0.108 0.000 1.169 337 V HN 0.551 nan 8.190 nan 0.000 0.475 338 P HA 0.228 nan 4.420 nan 0.000 0.255 338 P C 1.185 178.456 177.300 -0.047 0.000 1.248 338 P CA 0.803 63.625 63.100 -0.463 0.000 0.807 338 P CB 0.656 31.910 31.700 -0.745 0.000 1.150 339 G N -1.186 107.526 108.800 -0.147 0.000 3.088 339 G HA2 0.017 3.976 3.960 -0.002 0.000 0.217 339 G HA3 0.017 3.976 3.960 -0.002 0.000 0.217 339 G C -0.162 174.639 174.900 -0.164 0.000 1.159 339 G CA 0.002 45.031 45.100 -0.120 0.000 0.760 339 G HN 0.362 nan 8.290 nan 0.000 0.550 340 H N -0.607 118.576 119.070 0.188 0.000 2.685 340 H HA 0.350 4.906 4.556 -0.001 0.000 0.307 340 H C -1.175 174.207 175.328 0.090 0.000 1.017 340 H CA -0.975 55.151 56.048 0.129 0.000 1.237 340 H CB 1.462 31.282 29.762 0.098 0.000 1.409 340 H HN 0.067 nan 8.280 nan 0.000 0.488 341 F N 4.802 124.697 119.950 -0.091 0.000 2.538 341 F HA 0.156 4.682 4.527 -0.002 0.000 0.371 341 F C -1.915 173.803 175.800 -0.138 0.000 1.087 341 F CA -2.190 55.588 58.000 -0.370 0.000 1.250 341 F CB 0.653 39.350 39.000 -0.505 0.000 1.110 341 F HN 0.380 nan 8.300 nan 0.000 0.570 342 P HA 0.009 nan 4.420 nan 0.000 0.262 342 P C 0.106 177.382 177.300 -0.040 0.000 1.199 342 P CA 0.445 63.417 63.100 -0.214 0.000 0.763 342 P CB 0.421 31.932 31.700 -0.316 0.000 0.790 343 T N -1.905 112.661 114.554 0.021 0.000 3.044 343 T HA 0.186 4.535 4.350 -0.002 0.000 0.260 343 T C 0.294 174.980 174.700 -0.024 0.000 1.019 343 T CA -0.091 62.020 62.100 0.018 0.000 0.921 343 T CB 0.088 68.965 68.868 0.015 0.000 1.053 343 T HN 0.165 nan 8.240 nan 0.000 0.533 344 D N 1.541 121.951 120.400 0.016 0.000 2.392 344 D HA 0.293 4.932 4.640 -0.002 0.000 0.246 344 D C -0.145 176.195 176.300 0.065 0.000 1.013 344 D CA -0.391 53.649 54.000 0.067 0.000 0.993 344 D CB 1.256 42.149 40.800 0.154 0.000 1.219 344 D HN -0.067 nan 8.370 nan 0.000 0.538 345 D N -0.192 120.281 120.400 0.122 0.000 2.931 345 D HA -0.258 4.381 4.640 -0.002 0.000 0.228 345 D C 0.224 176.684 176.300 0.267 0.000 1.180 345 D CA 0.618 54.713 54.000 0.159 0.000 0.784 345 D CB -1.441 39.407 40.800 0.079 0.000 1.093 345 D HN 0.467 nan 8.370 nan 0.000 0.421 346 F N -2.357 117.621 119.950 0.047 0.000 3.056 346 F HA -0.357 4.169 4.527 -0.001 0.000 0.266 346 F C 1.868 177.706 175.800 0.064 0.000 0.957 346 F CA 0.597 58.630 58.000 0.055 0.000 0.894 346 F CB -1.405 37.614 39.000 0.032 0.000 0.832 346 F HN 0.275 nan 8.300 nan 0.000 0.745 347 A N -0.628 122.282 122.820 0.151 0.000 1.902 347 A HA -0.037 4.282 4.320 -0.002 0.000 0.217 347 A C 1.885 179.541 177.584 0.120 0.000 1.181 347 A CA 2.030 54.135 52.037 0.112 0.000 0.623 347 A CB -0.152 18.867 19.000 0.033 0.000 0.818 347 A HN 0.443 nan 8.150 nan 0.000 0.443 348 L N -2.827 118.418 121.223 0.037 0.000 3.174 348 L HA 0.515 4.854 4.340 -0.002 0.000 0.283 348 L C 0.906 177.926 176.870 0.249 0.000 1.187 348 L CA 0.683 55.499 54.840 -0.041 0.000 1.018 348 L CB 0.121 41.858 42.059 -0.538 0.000 1.433 348 L HN 0.290 nan 8.230 nan 0.000 0.593 349 A N -0.161 122.854 122.820 0.324 0.000 2.351 349 A HA 0.396 4.715 4.320 -0.002 0.000 0.257 349 A C 0.413 178.186 177.584 0.315 0.000 1.087 349 A CA -0.087 52.170 52.037 0.368 0.000 0.798 349 A CB -0.121 18.977 19.000 0.164 0.000 1.033 349 A HN 0.408 nan 8.150 nan 0.000 0.488 350 E N 0.030 120.375 120.200 0.242 0.000 2.122 350 E HA -0.277 4.072 4.350 -0.002 0.000 0.198 350 E C 0.052 176.785 176.600 0.222 0.000 1.352 350 E CA 0.595 57.111 56.400 0.194 0.000 0.705 350 E CB -1.411 28.383 29.700 0.156 0.000 1.084 350 E HN 0.701 nan 8.360 nan 0.000 0.337 351 F N 1.821 121.864 119.950 0.154 0.000 2.171 351 F HA -0.168 4.359 4.527 -0.001 0.000 0.300 351 F C 1.908 177.743 175.800 0.059 0.000 1.090 351 F CA 1.947 60.029 58.000 0.138 0.000 1.293 351 F CB 0.355 39.491 39.000 0.226 0.000 1.013 351 F HN 0.185 nan 8.300 nan 0.000 0.486 352 D N -1.627 118.823 120.400 0.084 0.000 2.462 352 D HA 0.253 4.892 4.640 -0.002 0.000 0.221 352 D C 1.547 177.823 176.300 -0.040 0.000 1.173 352 D CA 0.592 54.563 54.000 -0.048 0.000 0.831 352 D CB 0.031 40.830 40.800 -0.002 0.000 1.001 352 D HN 0.367 nan 8.370 nan 0.000 0.499 353 G N 0.046 108.840 108.800 -0.011 0.000 2.213 353 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.236 353 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.236 353 G C 0.524 175.432 174.900 0.014 0.000 0.991 353 G CA 0.389 45.487 45.100 -0.002 0.000 0.629 353 G HN 0.805 nan 8.290 nan 0.000 0.517 354 T N -1.772 112.792 114.554 0.016 0.000 2.919 354 T HA 0.580 4.929 4.350 -0.002 0.000 0.282 354 T C 0.004 174.722 174.700 0.029 0.000 1.020 354 T CA -0.213 61.892 62.100 0.009 0.000 0.994 354 T CB 1.386 70.245 68.868 -0.014 0.000 1.180 354 T HN 0.138 nan 8.240 nan 0.000 0.566 355 N N 1.224 119.929 118.700 0.007 0.000 2.739 355 N HA 0.228 4.967 4.740 -0.002 0.000 0.266 355 N C 0.906 176.426 175.510 0.016 0.000 1.168 355 N CA -0.252 52.803 53.050 0.008 0.000 1.055 355 N CB 0.197 38.660 38.487 -0.041 0.000 1.393 355 N HN 0.425 nan 8.380 nan 0.000 0.514 356 L N 0.911 122.176 121.223 0.071 0.000 2.022 356 L HA -0.094 4.245 4.340 -0.002 0.000 0.204 356 L C 0.916 177.824 176.870 0.064 0.000 1.076 356 L CA 1.581 56.417 54.840 -0.007 0.000 0.749 356 L CB -0.090 41.941 42.059 -0.045 0.000 0.903 356 L HN 0.567 nan 8.230 nan 0.000 0.439 357 Y N -0.126 120.302 120.300 0.213 0.000 2.448 357 Y HA -0.020 4.529 4.550 -0.002 0.000 0.289 357 Y C 1.344 177.407 175.900 0.272 0.000 1.114 357 Y CA -0.118 58.189 58.100 0.345 0.000 1.235 357 Y CB 0.297 39.008 38.460 0.419 0.000 1.045 357 Y HN 0.288 nan 8.280 nan 0.000 0.554 358 E N -0.209 120.063 120.200 0.120 0.000 2.222 358 E HA 0.107 4.456 4.350 -0.002 0.000 0.267 358 E C -0.968 175.543 176.600 -0.148 0.000 0.963 358 E CA -0.664 55.543 56.400 -0.323 0.000 0.837 358 E CB 0.697 29.800 29.700 -0.996 0.000 1.183 358 E HN 0.175 nan 8.360 nan 0.000 0.403 359 H N 0.918 119.850 119.070 -0.229 0.000 2.707 359 H HA 0.101 4.656 4.556 -0.002 0.000 0.359 359 H C 0.110 175.374 175.328 -0.107 0.000 1.113 359 H CA 0.353 56.328 56.048 -0.122 0.000 1.422 359 H CB 0.958 30.657 29.762 -0.104 0.000 1.443 359 H HN 0.581 nan 8.280 nan 0.000 0.591 372 T N 0.880 115.398 114.554 -0.060 0.000 1.006 372 T HA -0.057 4.292 4.350 -0.002 0.000 0.722 372 T C -0.529 174.122 174.700 -0.081 0.000 0.984 372 T CA 1.373 63.442 62.100 -0.053 0.000 3.823 372 T CB -1.716 67.130 68.868 -0.036 0.000 2.145 372 T HN 0.464 nan 8.240 nan 0.000 0.370 373 L N 3.972 125.125 121.223 -0.117 0.000 2.397 373 L HA 0.955 5.294 4.340 -0.002 0.000 0.251 373 L C -0.299 176.414 176.870 -0.261 0.000 1.064 373 L CA -1.597 53.110 54.840 -0.221 0.000 0.859 373 L CB 2.297 44.142 42.059 -0.355 0.000 1.468 373 L HN 0.613 nan 8.230 nan 0.000 0.411 374 I N -2.228 118.132 120.570 -0.350 0.000 2.802 374 I HA 0.480 4.649 4.170 -0.002 0.000 0.298 374 I C -1.029 174.863 176.117 -0.374 0.000 1.176 374 I CA -0.947 60.196 61.300 -0.263 0.000 1.025 374 I CB 2.186 40.131 38.000 -0.092 0.000 1.243 374 I HN 0.592 nan 8.210 nan 0.000 0.424 375 Y N 2.270 122.406 120.300 -0.273 0.000 2.903 375 Y HA -0.086 4.464 4.550 -0.001 0.000 0.338 375 Y C 1.113 176.712 175.900 -0.502 0.000 1.265 375 Y CA 0.506 58.355 58.100 -0.418 0.000 1.532 375 Y CB 0.169 38.127 38.460 -0.836 0.000 1.293 375 Y HN 0.595 nan 8.280 nan 0.000 0.609 376 N N 3.104 121.811 118.700 0.010 0.000 2.868 376 N HA 0.013 4.752 4.740 -0.002 0.000 0.252 376 N C 0.013 175.576 175.510 0.089 0.000 1.130 376 N CA 0.094 53.234 53.050 0.150 0.000 1.026 376 N CB -0.443 38.092 38.487 0.081 0.000 1.335 376 N HN 0.565 nan 8.380 nan 0.000 0.516 377 Y N 0.570 120.963 120.300 0.154 0.000 2.256 377 Y HA -0.073 4.477 4.550 -0.000 0.000 0.288 377 Y C 2.276 178.241 175.900 0.107 0.000 1.155 377 Y CA 1.201 59.308 58.100 0.013 0.000 1.203 377 Y CB 0.075 38.470 38.460 -0.108 0.000 0.980 377 Y HN 0.525 nan 8.280 nan 0.000 0.530 378 G N -0.130 108.835 108.800 0.276 0.000 2.744 378 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.211 378 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.211 378 G C 0.602 175.596 174.900 0.157 0.000 1.143 378 G CA -0.388 44.839 45.100 0.212 0.000 0.788 378 G HN 0.150 nan 8.290 nan 0.000 0.534 379 R N 0.108 120.695 120.500 0.144 0.000 2.298 379 R HA 0.330 4.669 4.340 -0.002 0.000 0.310 379 R C 1.579 177.929 176.300 0.084 0.000 1.068 379 R CA -0.690 55.473 56.100 0.106 0.000 0.957 379 R CB 0.601 30.967 30.300 0.110 0.000 1.003 379 R HN -0.062 nan 8.270 nan 0.000 0.454 380 R N 2.681 123.206 120.500 0.042 0.000 2.081 380 R HA -0.124 4.215 4.340 -0.002 0.000 0.235 380 R C 0.957 177.232 176.300 -0.041 0.000 1.131 380 R CA 1.879 57.992 56.100 0.021 0.000 0.960 380 R CB -0.034 30.264 30.300 -0.003 0.000 0.856 380 R HN 0.710 nan 8.270 nan 0.000 0.436 381 E N -0.819 119.242 120.200 -0.231 0.000 2.208 381 E HA -0.054 4.295 4.350 -0.002 0.000 0.193 381 E C 1.938 178.418 176.600 -0.200 0.000 0.988 381 E CA 0.904 57.033 56.400 -0.452 0.000 0.828 381 E CB -0.222 28.648 29.700 -1.383 0.000 0.763 381 E HN 0.047 nan 8.360 nan 0.000 0.478 382 V N 0.558 120.422 119.914 -0.083 0.000 2.261 382 V HA -0.275 3.844 4.120 -0.002 0.000 0.246 382 V C 2.359 178.610 176.094 0.261 0.000 1.047 382 V CA 1.941 64.333 62.300 0.153 0.000 1.015 382 V CB -0.785 31.139 31.823 0.169 0.000 0.642 382 V HN 0.300 nan 8.190 nan 0.000 0.446 383 S N 0.377 116.219 115.700 0.237 0.000 2.374 383 S HA -0.254 4.215 4.470 -0.002 0.000 0.227 383 S C 1.935 176.761 174.600 0.377 0.000 1.037 383 S CA 2.063 60.490 58.200 0.377 0.000 1.024 383 S CB -0.506 62.904 63.200 0.351 0.000 0.861 383 S HN 0.674 nan 8.310 nan 0.000 0.456 384 N N 0.654 119.517 118.700 0.272 0.000 2.120 384 N HA -0.079 4.660 4.740 -0.002 0.000 0.188 384 N C 1.397 177.150 175.510 0.404 0.000 1.024 384 N CA 1.203 54.421 53.050 0.281 0.000 0.852 384 N CB -0.871 37.725 38.487 0.182 0.000 1.003 384 N HN 0.488 nan 8.380 nan 0.000 0.424 385 F N 1.803 121.929 119.950 0.293 0.000 2.063 385 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 385 F C 2.030 178.047 175.800 0.361 0.000 1.109 385 F CA 1.445 59.667 58.000 0.371 0.000 1.212 385 F CB -0.478 38.731 39.000 0.348 0.000 0.973 385 F HN -0.039 nan 8.300 nan 0.000 0.480 386 L N -0.920 120.472 121.223 0.282 0.000 2.072 386 L HA -0.165 4.174 4.340 -0.002 0.000 0.205 386 L C 2.332 179.502 176.870 0.500 0.000 1.079 386 L CA 0.927 55.932 54.840 0.274 0.000 0.752 386 L CB -0.834 41.414 42.059 0.315 0.000 0.906 386 L HN 0.009 nan 8.230 nan 0.000 0.436 387 V N 0.295 120.482 119.914 0.455 0.000 2.343 387 V HA -0.183 3.937 4.120 -0.002 0.000 0.247 387 V C 2.665 178.908 176.094 0.249 0.000 1.051 387 V CA 1.898 64.382 62.300 0.306 0.000 1.036 387 V CB -1.414 30.538 31.823 0.216 0.000 0.654 387 V HN 0.562 nan 8.190 nan 0.000 0.451 388 G N 0.012 109.014 108.800 0.336 0.000 2.440 388 G HA2 -0.356 3.603 3.960 -0.002 0.000 0.218 388 G HA3 -0.356 3.603 3.960 -0.002 0.000 0.218 388 G C 1.517 176.651 174.900 0.389 0.000 1.154 388 G CA 1.108 46.511 45.100 0.505 0.000 0.767 388 G HN 0.547 nan 8.290 nan 0.000 0.552 389 N N 0.973 119.743 118.700 0.116 0.000 2.084 389 N HA -0.115 4.624 4.740 -0.002 0.000 0.190 389 N C 2.604 178.025 175.510 -0.148 0.000 1.030 389 N CA 1.265 54.128 53.050 -0.312 0.000 0.849 389 N CB -0.177 38.047 38.487 -0.439 0.000 1.012 389 N HN 0.253 nan 8.380 nan 0.000 0.423 390 A N 1.591 124.281 122.820 -0.217 0.000 1.873 390 A HA -0.160 4.159 4.320 -0.002 0.000 0.218 390 A C 2.162 179.658 177.584 -0.146 0.000 1.193 390 A CA 1.138 52.869 52.037 -0.511 0.000 0.629 390 A CB -0.906 17.604 19.000 -0.817 0.000 0.826 390 A HN 0.286 nan 8.150 nan 0.000 0.447 391 L N -1.658 119.559 121.223 -0.009 0.000 2.043 391 L HA -0.192 4.147 4.340 -0.002 0.000 0.212 391 L C 2.399 179.331 176.870 0.103 0.000 1.075 391 L CA 2.192 57.093 54.840 0.101 0.000 0.752 391 L CB -1.411 40.795 42.059 0.245 0.000 0.891 391 L HN 0.638 nan 8.230 nan 0.000 0.432 392 Y N -1.271 118.900 120.300 -0.217 0.000 2.097 392 Y HA -0.306 4.242 4.550 -0.002 0.000 0.282 392 Y C 2.336 178.120 175.900 -0.193 0.000 1.152 392 Y CA 1.659 59.433 58.100 -0.543 0.000 1.136 392 Y CB -0.786 37.106 38.460 -0.947 0.000 0.975 392 Y HN 0.154 nan 8.280 nan 0.000 0.498 393 W N 0.361 121.609 121.300 -0.087 0.000 2.335 393 W HA -0.224 4.434 4.660 -0.003 0.000 0.311 393 W C 2.438 178.932 176.519 -0.042 0.000 1.213 393 W CA 1.445 58.734 57.345 -0.094 0.000 1.274 393 W CB -0.465 28.934 29.460 -0.102 0.000 1.148 393 W HN 0.070 nan 8.180 nan 0.000 0.498 394 I N 0.024 120.690 120.570 0.159 0.000 2.163 394 I HA -0.267 3.902 4.170 -0.002 0.000 0.240 394 I C 2.172 178.315 176.117 0.044 0.000 1.081 394 I CA 1.581 62.930 61.300 0.082 0.000 1.353 394 I CB -0.543 37.469 38.000 0.020 0.000 1.054 394 I HN 0.031 nan 8.210 nan 0.000 0.407 395 E N 0.063 120.275 120.200 0.019 0.000 2.112 395 E HA -0.076 4.273 4.350 -0.002 0.000 0.190 395 E C 2.162 178.722 176.600 -0.066 0.000 0.979 395 E CA 0.552 56.950 56.400 -0.003 0.000 0.814 395 E CB 0.168 29.895 29.700 0.045 0.000 0.762 395 E HN 0.306 nan 8.360 nan 0.000 0.460 396 R N -0.599 119.811 120.500 -0.152 0.000 2.237 396 R HA 0.107 4.446 4.340 -0.002 0.000 0.195 396 R C 1.323 177.304 176.300 -0.532 0.000 0.956 396 R CA 0.534 56.426 56.100 -0.348 0.000 1.029 396 R CB 0.115 30.107 30.300 -0.513 0.000 0.972 396 R HN 0.196 nan 8.270 nan 0.000 0.493 397 F N -0.604 119.242 119.950 -0.172 0.000 2.727 397 F HA 0.270 4.795 4.527 -0.002 0.000 0.302 397 F C 1.367 177.130 175.800 -0.062 0.000 1.107 397 F CA 0.565 58.519 58.000 -0.077 0.000 1.277 397 F CB 0.524 39.590 39.000 0.110 0.000 1.079 397 F HN 0.183 nan 8.300 nan 0.000 0.594 398 G N 1.951 110.821 108.800 0.117 0.000 2.147 398 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.244 398 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.244 398 G C 0.285 175.297 174.900 0.187 0.000 1.005 398 G CA 0.149 45.328 45.100 0.132 0.000 0.713 398 G HN 0.429 nan 8.290 nan 0.000 0.515 399 I N -2.403 118.259 120.570 0.152 0.000 2.754 399 I HA 0.477 4.646 4.170 -0.002 0.000 0.285 399 I C 0.697 176.867 176.117 0.089 0.000 1.166 399 I CA 0.067 61.433 61.300 0.110 0.000 1.417 399 I CB 0.654 38.707 38.000 0.088 0.000 1.382 399 I HN -0.017 nan 8.210 nan 0.000 0.588 400 D N 4.547 124.995 120.400 0.081 0.000 2.379 400 D HA 0.380 5.019 4.640 -0.002 0.000 0.208 400 D C 0.308 176.628 176.300 0.033 0.000 1.065 400 D CA 0.617 54.638 54.000 0.036 0.000 0.848 400 D CB 0.861 41.669 40.800 0.013 0.000 0.949 400 D HN 0.774 nan 8.370 nan 0.000 0.509 401 A N 0.428 123.285 122.820 0.061 0.000 2.597 401 A HA 0.616 4.935 4.320 -0.002 0.000 0.292 401 A C -1.914 175.723 177.584 0.089 0.000 1.057 401 A CA -0.611 51.473 52.037 0.078 0.000 0.674 401 A CB 0.926 20.005 19.000 0.133 0.000 1.278 401 A HN 0.045 nan 8.150 nan 0.000 0.416 402 L N 0.862 122.159 121.223 0.123 0.000 2.408 402 L HA 0.684 5.023 4.340 -0.002 0.000 0.268 402 L C 0.043 177.069 176.870 0.261 0.000 0.986 402 L CA -0.588 54.346 54.840 0.156 0.000 0.820 402 L CB 2.231 44.337 42.059 0.079 0.000 1.303 402 L HN 0.803 nan 8.230 nan 0.000 0.411 403 R N 2.049 122.703 120.500 0.257 0.000 2.387 403 R HA 0.632 4.971 4.340 -0.002 0.000 0.314 403 R C -1.515 174.921 176.300 0.227 0.000 0.958 403 R CA -0.562 55.663 56.100 0.209 0.000 0.846 403 R CB 1.880 32.258 30.300 0.130 0.000 1.147 403 R HN 0.410 nan 8.270 nan 0.000 0.447 404 V N 5.688 125.711 119.914 0.183 0.000 2.370 404 V HA 0.123 4.242 4.120 -0.002 0.000 0.279 404 V C 0.302 176.331 176.094 -0.109 0.000 1.029 404 V CA -0.728 61.638 62.300 0.110 0.000 0.870 404 V CB 1.206 33.166 31.823 0.228 0.000 0.984 404 V HN 0.814 nan 8.190 nan 0.000 0.451 405 D N 4.204 124.558 120.400 -0.076 0.000 2.387 405 D HA 0.431 5.070 4.640 -0.002 0.000 0.251 405 D C 0.706 176.933 176.300 -0.123 0.000 1.141 405 D CA 0.036 53.944 54.000 -0.152 0.000 0.987 405 D CB 1.589 42.343 40.800 -0.075 0.000 1.116 405 D HN 0.959 nan 8.370 nan 0.000 0.491 406 A N -0.174 122.581 122.820 -0.107 0.000 2.783 406 A HA -0.180 4.139 4.320 -0.002 0.000 0.292 406 A C 1.485 179.026 177.584 -0.072 0.000 1.495 406 A CA 0.852 52.857 52.037 -0.053 0.000 0.787 406 A CB -2.179 16.834 19.000 0.021 0.000 1.017 406 A HN 0.454 nan 8.150 nan 0.000 0.516 407 V N -1.048 118.806 119.914 -0.101 0.000 2.453 407 V HA -0.303 3.816 4.120 -0.002 0.000 0.252 407 V C 2.950 178.995 176.094 -0.083 0.000 1.068 407 V CA 2.924 65.161 62.300 -0.106 0.000 1.070 407 V CB -1.158 30.578 31.823 -0.146 0.000 0.664 407 V HN 1.219 nan 8.190 nan 0.000 0.461 408 A N 0.862 123.676 122.820 -0.010 0.000 1.892 408 A HA -0.277 4.042 4.320 -0.002 0.000 0.218 408 A C 2.559 180.203 177.584 0.100 0.000 1.188 408 A CA 2.669 54.765 52.037 0.098 0.000 0.631 408 A CB -0.942 18.146 19.000 0.146 0.000 0.822 408 A HN 0.733 nan 8.150 nan 0.000 0.447 409 S N -0.412 115.322 115.700 0.057 0.000 2.399 409 S HA -0.178 4.292 4.470 -0.002 0.000 0.231 409 S C 1.938 176.553 174.600 0.026 0.000 1.022 409 S CA 1.785 60.020 58.200 0.059 0.000 0.983 409 S CB -0.631 62.606 63.200 0.061 0.000 0.803 409 S HN 0.541 nan 8.310 nan 0.000 0.480 410 M N 1.487 121.067 119.600 -0.034 0.000 2.200 410 M HA 0.182 4.661 4.480 -0.002 0.000 0.265 410 M C 2.291 178.511 176.300 -0.132 0.000 1.066 410 M CA 1.381 56.643 55.300 -0.064 0.000 1.127 410 M CB -0.602 31.914 32.600 -0.139 0.000 1.379 410 M HN 0.513 nan 8.290 nan 0.000 0.420 411 I N -3.161 117.271 120.570 -0.231 0.000 3.728 411 I HA 0.085 4.254 4.170 -0.002 0.000 0.307 411 I C -0.372 175.425 176.117 -0.533 0.000 1.276 411 I CA 0.105 61.145 61.300 -0.433 0.000 1.285 411 I CB 0.009 37.605 38.000 -0.672 0.000 1.038 411 I HN 0.003 nan 8.210 nan 0.000 0.445 412 Y N 1.344 121.625 120.300 -0.032 0.000 2.350 412 Y HA 0.486 5.036 4.550 -0.001 0.000 0.338 412 Y C 1.141 177.040 175.900 -0.002 0.000 0.961 412 Y CA -0.981 57.117 58.100 -0.003 0.000 1.100 412 Y CB 1.551 40.018 38.460 0.011 0.000 1.179 412 Y HN -0.170 nan 8.280 nan 0.000 0.454 413 R N 1.149 121.744 120.500 0.159 0.000 2.105 413 R HA -0.108 4.231 4.340 -0.002 0.000 0.239 413 R C 0.909 177.258 176.300 0.081 0.000 1.135 413 R CA 1.264 57.415 56.100 0.085 0.000 0.967 413 R CB -0.539 29.795 30.300 0.057 0.000 0.861 413 R HN 0.906 nan 8.270 nan 0.000 0.442 430 R N 0.545 121.103 120.500 0.097 0.000 2.221 430 R HA 0.220 4.559 4.340 -0.002 0.000 0.195 430 R C 0.523 176.950 176.300 0.213 0.000 0.956 430 R CA 0.653 56.837 56.100 0.140 0.000 1.064 430 R CB 0.357 30.747 30.300 0.149 0.000 1.049 430 R HN 0.676 nan 8.270 nan 0.000 0.534 431 E N 0.590 120.893 120.200 0.172 0.000 2.202 431 E HA 0.170 4.519 4.350 -0.002 0.000 0.272 431 E C -1.137 175.462 176.600 -0.001 0.000 0.951 431 E CA -0.958 55.488 56.400 0.077 0.000 0.813 431 E CB 1.093 30.817 29.700 0.040 0.000 1.151 431 E HN -0.116 nan 8.360 nan 0.000 0.398 432 N N 2.963 121.618 118.700 -0.076 0.000 2.439 432 N HA 0.071 4.810 4.740 -0.002 0.000 0.243 432 N C 0.457 175.939 175.510 -0.046 0.000 1.088 432 N CA -0.123 52.898 53.050 -0.048 0.000 0.940 432 N CB 0.395 38.850 38.487 -0.052 0.000 1.180 432 N HN 0.635 nan 8.380 nan 0.000 0.505 433 L N 2.203 123.427 121.223 0.001 0.000 2.056 433 L HA -0.100 4.239 4.340 -0.002 0.000 0.207 433 L C 1.924 178.816 176.870 0.038 0.000 1.078 433 L CA 1.029 55.880 54.840 0.019 0.000 0.749 433 L CB -0.237 41.847 42.059 0.042 0.000 0.901 433 L HN 0.541 nan 8.230 nan 0.000 0.433 434 E N 0.511 120.753 120.200 0.071 0.000 2.097 434 E HA -0.257 4.092 4.350 -0.002 0.000 0.196 434 E C 2.281 178.944 176.600 0.106 0.000 1.000 434 E CA 1.424 57.901 56.400 0.129 0.000 0.804 434 E CB -0.146 29.672 29.700 0.196 0.000 0.740 434 E HN 0.527 nan 8.360 nan 0.000 0.454 435 A N 0.591 123.413 122.820 0.004 0.000 1.970 435 A HA -0.078 4.241 4.320 -0.002 0.000 0.216 435 A C 2.083 179.579 177.584 -0.147 0.000 1.170 435 A CA 0.638 52.531 52.037 -0.240 0.000 0.645 435 A CB -0.294 18.513 19.000 -0.321 0.000 0.816 435 A HN 0.120 nan 8.150 nan 0.000 0.447 436 I N -0.568 119.937 120.570 -0.109 0.000 2.202 436 I HA -0.205 3.964 4.170 -0.002 0.000 0.242 436 I C 2.537 178.633 176.117 -0.034 0.000 1.091 436 I CA 1.669 62.903 61.300 -0.110 0.000 1.368 436 I CB -0.107 37.831 38.000 -0.104 0.000 1.058 436 I HN 0.372 nan 8.210 nan 0.000 0.410 437 E N 1.159 121.368 120.200 0.015 0.000 2.118 437 E HA -0.296 4.053 4.350 -0.002 0.000 0.195 437 E C 2.001 178.634 176.600 0.055 0.000 0.992 437 E CA 1.593 58.016 56.400 0.039 0.000 0.804 437 E CB -0.518 29.223 29.700 0.070 0.000 0.741 437 E HN 0.471 nan 8.360 nan 0.000 0.458 438 F N 0.385 120.297 119.950 -0.063 0.000 2.171 438 F HA -0.073 4.455 4.527 0.002 0.000 0.300 438 F C 1.730 177.492 175.800 -0.063 0.000 1.090 438 F CA 1.311 59.283 58.000 -0.046 0.000 1.293 438 F CB -0.132 38.816 39.000 -0.086 0.000 1.013 438 F HN 0.045 nan 8.300 nan 0.000 0.486 439 L N 0.072 121.176 121.223 -0.199 0.000 2.027 439 L HA -0.140 4.199 4.340 -0.002 0.000 0.206 439 L C 2.696 179.375 176.870 -0.320 0.000 1.074 439 L CA 1.279 55.938 54.840 -0.301 0.000 0.745 439 L CB -0.763 41.248 42.059 -0.080 0.000 0.898 439 L HN 0.016 nan 8.230 nan 0.000 0.433 440 R N -0.047 120.336 120.500 -0.195 0.000 2.096 440 R HA -0.207 4.132 4.340 -0.002 0.000 0.240 440 R C 2.241 178.435 176.300 -0.177 0.000 1.139 440 R CA 1.726 57.729 56.100 -0.162 0.000 0.952 440 R CB -0.484 29.768 30.300 -0.080 0.000 0.854 440 R HN 0.424 nan 8.270 nan 0.000 0.436 441 N N -0.313 118.281 118.700 -0.177 0.000 2.106 441 N HA -0.108 4.631 4.740 -0.002 0.000 0.188 441 N C 1.451 176.837 175.510 -0.205 0.000 1.029 441 N CA 1.646 54.605 53.050 -0.151 0.000 0.848 441 N CB -0.000 38.425 38.487 -0.103 0.000 1.007 441 N HN 0.142 nan 8.380 nan 0.000 0.423 442 T N 1.066 115.396 114.554 -0.374 0.000 2.684 442 T HA -0.105 4.244 4.350 -0.002 0.000 0.267 442 T C 1.599 176.174 174.700 -0.209 0.000 1.036 442 T CA 1.416 63.314 62.100 -0.336 0.000 1.148 442 T CB -0.401 68.163 68.868 -0.507 0.000 0.863 442 T HN 0.415 nan 8.240 nan 0.000 0.436 443 N N 0.125 118.673 118.700 -0.253 0.000 2.188 443 N HA -0.028 4.711 4.740 -0.002 0.000 0.184 443 N C 2.115 177.572 175.510 -0.089 0.000 1.018 443 N CA 0.533 53.468 53.050 -0.192 0.000 0.858 443 N CB -0.034 38.258 38.487 -0.326 0.000 0.989 443 N HN 0.214 nan 8.380 nan 0.000 0.426 444 R N 1.152 121.591 120.500 -0.102 0.000 2.080 444 R HA -0.101 4.238 4.340 -0.002 0.000 0.236 444 R C 2.027 178.314 176.300 -0.021 0.000 1.137 444 R CA 1.303 57.370 56.100 -0.054 0.000 0.943 444 R CB -0.342 29.925 30.300 -0.055 0.000 0.846 444 R HN 0.236 nan 8.270 nan 0.000 0.431 445 I N 1.380 121.931 120.570 -0.031 0.000 2.226 445 I HA -0.218 3.951 4.170 -0.002 0.000 0.245 445 I C 0.849 176.963 176.117 -0.005 0.000 1.100 445 I CA 0.612 61.905 61.300 -0.012 0.000 1.374 445 I CB -0.125 37.870 38.000 -0.009 0.000 1.057 445 I HN 0.122 nan 8.210 nan 0.000 0.413 446 L N 1.121 122.335 121.223 -0.015 0.000 2.490 446 L HA 0.089 4.428 4.340 -0.002 0.000 0.274 446 L C 1.446 178.341 176.870 0.041 0.000 1.201 446 L CA 0.668 55.506 54.840 -0.003 0.000 0.869 446 L CB 0.070 42.120 42.059 -0.016 0.000 1.123 446 L HN 0.506 nan 8.230 nan 0.000 0.484 447 G N 1.626 110.441 108.800 0.025 0.000 2.245 447 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.264 447 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.264 447 G C 0.877 175.812 174.900 0.058 0.000 0.985 447 G CA 0.595 45.729 45.100 0.056 0.000 0.625 447 G HN 0.740 nan 8.290 nan 0.000 0.536 448 E N -0.595 119.627 120.200 0.036 0.000 2.086 448 E HA -0.001 4.348 4.350 -0.002 0.000 0.190 448 E C 2.410 179.012 176.600 0.004 0.000 0.975 448 E CA 0.947 57.359 56.400 0.019 0.000 0.813 448 E CB -0.099 29.609 29.700 0.013 0.000 0.768 448 E HN 0.492 nan 8.360 nan 0.000 0.457 449 Q N -0.092 119.708 119.800 -0.000 0.000 2.250 449 Q HA -0.010 4.329 4.340 -0.002 0.000 0.200 449 Q C 1.440 177.431 176.000 -0.015 0.000 0.941 449 Q CA 0.858 56.656 55.803 -0.008 0.000 0.872 449 Q CB 1.063 29.798 28.738 -0.004 0.000 0.965 449 Q HN 0.243 nan 8.270 nan 0.000 0.480 450 V N -2.342 117.559 119.914 -0.020 0.000 2.792 450 V HA 0.348 4.467 4.120 -0.002 0.000 0.360 450 V C 0.176 176.231 176.094 -0.066 0.000 1.306 450 V CA -0.760 61.516 62.300 -0.039 0.000 1.245 450 V CB 0.645 32.446 31.823 -0.037 0.000 1.382 450 V HN 0.015 nan 8.190 nan 0.000 0.636 451 S N 1.630 117.297 115.700 -0.056 0.000 2.673 451 S HA 0.398 4.867 4.470 -0.002 0.000 0.308 451 S C 1.609 176.121 174.600 -0.147 0.000 1.246 451 S CA 1.928 60.078 58.200 -0.084 0.000 1.077 451 S CB -0.111 63.065 63.200 -0.040 0.000 0.814 451 S HN 2.278 nan 8.310 nan 0.000 0.503 452 G N 3.173 111.819 108.800 -0.256 0.000 2.352 452 G HA2 -0.044 3.915 3.960 -0.002 0.000 0.204 452 G HA3 -0.044 3.915 3.960 -0.002 0.000 0.204 452 G C 0.148 174.881 174.900 -0.279 0.000 1.004 452 G CA -0.122 44.817 45.100 -0.268 0.000 0.648 452 G HN 1.560 nan 8.290 nan 0.000 0.491 453 A N 1.291 123.969 122.820 -0.237 0.000 2.279 453 A HA 0.752 5.071 4.320 -0.002 0.000 0.306 453 A C 0.740 178.159 177.584 -0.274 0.000 1.300 453 A CA 0.314 52.240 52.037 -0.185 0.000 0.925 453 A CB 0.390 19.328 19.000 -0.104 0.000 1.152 453 A HN 1.777 nan 8.150 nan 0.000 0.544 454 V N 1.238 120.990 119.914 -0.270 0.000 3.262 454 V HA 0.899 5.018 4.120 -0.002 0.000 0.313 454 V C 0.365 176.494 176.094 0.059 0.000 1.070 454 V CA -0.054 62.031 62.300 -0.358 0.000 1.049 454 V CB 1.226 32.936 31.823 -0.188 0.000 1.157 454 V HN 1.033 nan 8.190 nan 0.000 0.454 455 T N 0.008 114.771 114.554 0.348 0.000 2.893 455 T HA 0.788 5.137 4.350 -0.002 0.000 0.291 455 T C -0.723 174.392 174.700 0.691 0.000 1.028 455 T CA -0.796 61.601 62.100 0.495 0.000 0.995 455 T CB 1.670 70.806 68.868 0.447 0.000 1.051 455 T HN 0.758 nan 8.240 nan 0.000 0.470 456 M N 1.673 121.610 119.600 0.561 0.000 2.518 456 M HA 0.778 5.257 4.480 -0.002 0.000 0.300 456 M C -0.818 175.476 176.300 -0.010 0.000 1.175 456 M CA -1.084 54.444 55.300 0.380 0.000 0.890 456 M CB 2.582 35.385 32.600 0.340 0.000 1.710 456 M HN 0.962 nan 8.290 nan 0.000 0.453 457 A N 1.445 124.062 122.820 -0.339 0.000 2.475 457 A HA 0.714 5.033 4.320 -0.002 0.000 0.301 457 A C -1.378 175.921 177.584 -0.475 0.000 1.059 457 A CA -0.588 51.018 52.037 -0.718 0.000 0.710 457 A CB 2.068 20.113 19.000 -1.591 0.000 1.288 457 A HN 0.791 nan 8.150 nan 0.000 0.408 458 E N 1.826 121.729 120.200 -0.495 0.000 2.145 458 E HA 0.426 4.775 4.350 -0.002 0.000 0.270 458 E C -1.438 175.061 176.600 -0.168 0.000 0.906 458 E CA -0.227 55.982 56.400 -0.318 0.000 0.761 458 E CB 1.357 30.750 29.700 -0.512 0.000 1.116 458 E HN 0.601 nan 8.360 nan 0.000 0.408 459 E N 2.633 122.817 120.200 -0.027 0.000 2.278 459 E HA 0.153 4.502 4.350 -0.002 0.000 0.272 459 E C -0.650 176.015 176.600 0.109 0.000 0.890 459 E CA -0.213 56.198 56.400 0.019 0.000 0.770 459 E CB 1.649 31.357 29.700 0.015 0.000 1.212 459 E HN 0.474 nan 8.360 nan 0.000 0.415 460 S N 1.298 117.065 115.700 0.111 0.000 2.578 460 S HA 0.112 4.581 4.470 -0.002 0.000 0.231 460 S C 0.835 175.501 174.600 0.110 0.000 0.994 460 S CA 0.324 58.598 58.200 0.122 0.000 0.956 460 S CB -0.036 63.225 63.200 0.101 0.000 0.870 460 S HN 0.490 nan 8.310 nan 0.000 0.494 461 T N -0.079 114.561 114.554 0.143 0.000 2.990 461 T HA 0.489 4.838 4.350 -0.002 0.000 0.296 461 T C -0.598 174.191 174.700 0.148 0.000 1.189 461 T CA -0.210 61.965 62.100 0.125 0.000 0.938 461 T CB -0.107 68.856 68.868 0.159 0.000 1.994 461 T HN 0.016 nan 8.240 nan 0.000 0.584 462 D N -0.139 120.349 120.400 0.147 0.000 3.010 462 D HA 0.359 4.998 4.640 -0.002 0.000 0.347 462 D C -1.169 175.229 176.300 0.164 0.000 1.340 462 D CA -0.416 53.667 54.000 0.138 0.000 0.858 462 D CB -0.459 40.381 40.800 0.067 0.000 1.111 462 D HN 0.394 nan 8.370 nan 0.000 0.482 463 F N 2.888 122.909 119.950 0.119 0.000 2.593 463 F HA 0.109 4.634 4.527 -0.004 0.000 0.393 463 F C -1.680 174.163 175.800 0.071 0.000 1.037 463 F CA -1.411 56.657 58.000 0.113 0.000 1.195 463 F CB 0.442 39.511 39.000 0.115 0.000 1.034 463 F HN 0.082 nan 8.300 nan 0.000 0.552 464 P HA 0.205 nan 4.420 nan 0.000 0.276 464 P C 0.290 177.543 177.300 -0.078 0.000 1.230 464 P CA 0.471 63.452 63.100 -0.197 0.000 0.776 464 P CB 1.069 32.613 31.700 -0.259 0.000 0.888 465 G N 1.887 110.690 108.800 0.005 0.000 2.147 465 G HA2 -0.290 3.669 3.960 -0.002 0.000 0.244 465 G HA3 -0.290 3.669 3.960 -0.002 0.000 0.244 465 G C 0.840 175.801 174.900 0.102 0.000 1.005 465 G CA 0.065 45.174 45.100 0.015 0.000 0.713 465 G HN 0.358 nan 8.290 nan 0.000 0.515 466 V N 0.807 120.829 119.914 0.179 0.000 2.313 466 V HA -0.254 3.865 4.120 -0.002 0.000 0.253 466 V C 2.523 178.724 176.094 0.179 0.000 1.070 466 V CA 3.125 65.552 62.300 0.211 0.000 1.057 466 V CB -0.349 31.555 31.823 0.134 0.000 0.653 466 V HN 1.421 nan 8.190 nan 0.000 0.450 467 S N -0.870 114.844 115.700 0.023 0.000 2.537 467 S HA 0.337 4.806 4.470 -0.002 0.000 0.246 467 S C 0.262 174.764 174.600 -0.163 0.000 1.036 467 S CA -0.637 57.535 58.200 -0.046 0.000 1.041 467 S CB 0.123 63.238 63.200 -0.141 0.000 0.799 467 S HN 0.327 nan 8.310 nan 0.000 0.456 468 R N 1.721 122.154 120.500 -0.111 0.000 2.778 468 R HA 0.614 4.953 4.340 -0.002 0.000 0.277 468 R C -3.212 173.003 176.300 -0.142 0.000 0.977 468 R CA -2.586 53.427 56.100 -0.145 0.000 0.950 468 R CB 0.379 30.619 30.300 -0.101 0.000 1.165 468 R HN 0.141 nan 8.270 nan 0.000 0.474 469 P HA 0.062 nan 4.420 nan 0.000 0.267 469 P C 0.080 177.320 177.300 -0.101 0.000 1.200 469 P CA -0.019 62.984 63.100 -0.162 0.000 0.772 469 P CB 0.635 32.247 31.700 -0.147 0.000 0.855 470 Q N 1.161 120.903 119.800 -0.097 0.000 2.135 470 Q HA -0.203 4.136 4.340 -0.002 0.000 0.204 470 Q C 1.426 177.403 176.000 -0.039 0.000 0.981 470 Q CA 1.900 57.667 55.803 -0.059 0.000 0.856 470 Q CB -0.766 27.931 28.738 -0.067 0.000 0.902 470 Q HN 0.509 nan 8.270 nan 0.000 0.425 471 D N -0.274 120.098 120.400 -0.046 0.000 2.149 471 D HA -0.135 4.504 4.640 -0.002 0.000 0.198 471 D C 1.091 177.374 176.300 -0.028 0.000 0.990 471 D CA 1.202 55.182 54.000 -0.033 0.000 0.839 471 D CB 0.049 40.828 40.800 -0.035 0.000 0.948 471 D HN 0.315 nan 8.370 nan 0.000 0.460 472 M N -1.892 117.687 119.600 -0.035 0.000 2.571 472 M HA 0.370 4.849 4.480 -0.002 0.000 0.235 472 M C 1.033 177.318 176.300 -0.025 0.000 1.216 472 M CA 0.525 55.807 55.300 -0.031 0.000 0.979 472 M CB 0.073 32.650 32.600 -0.040 0.000 1.616 472 M HN 0.068 nan 8.290 nan 0.000 0.469 473 G N 0.493 109.286 108.800 -0.012 0.000 2.132 473 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.234 473 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.234 473 G C 0.768 175.692 174.900 0.039 0.000 0.989 473 G CA 0.058 45.165 45.100 0.011 0.000 0.676 473 G HN 0.612 nan 8.290 nan 0.000 0.522 474 G N -0.979 107.831 108.800 0.016 0.000 2.430 474 G HA2 0.319 4.278 3.960 -0.002 0.000 0.216 474 G HA3 0.319 4.278 3.960 -0.002 0.000 0.216 474 G C 1.317 176.271 174.900 0.090 0.000 1.146 474 G CA 1.234 46.351 45.100 0.028 0.000 0.793 474 G HN 1.416 nan 8.290 nan 0.000 0.537 475 L N -2.143 119.115 121.223 0.059 0.000 2.614 475 L HA -0.174 4.165 4.340 -0.002 0.000 0.448 475 L C 1.735 178.557 176.870 -0.079 0.000 0.707 475 L CA 1.601 56.472 54.840 0.051 0.000 3.083 475 L CB -1.234 40.947 42.059 0.203 0.000 0.738 475 L HN 1.294 nan 8.230 nan 0.000 0.734 476 G N -1.595 107.150 108.800 -0.090 0.000 2.143 476 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.248 476 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.248 476 G C 0.305 175.013 174.900 -0.321 0.000 0.991 476 G CA 0.202 45.160 45.100 -0.236 0.000 0.689 476 G HN 0.380 nan 8.290 nan 0.000 0.522 477 F N -1.377 118.500 119.950 -0.120 0.000 2.485 477 F HA 0.506 5.032 4.527 -0.001 0.000 0.327 477 F C 1.603 177.305 175.800 -0.163 0.000 1.203 477 F CA -0.004 57.981 58.000 -0.025 0.000 1.295 477 F CB 0.402 39.438 39.000 0.060 0.000 1.191 477 F HN 0.050 nan 8.300 nan 0.000 0.588 478 W N -0.876 120.555 121.300 0.219 0.000 2.574 478 W HA 0.133 4.790 4.660 -0.005 0.000 0.282 478 W C -0.387 175.979 176.519 -0.256 0.000 1.197 478 W CA 0.276 57.628 57.345 0.012 0.000 1.376 478 W CB -0.216 29.246 29.460 0.004 0.000 1.091 478 W HN 0.153 nan 8.180 nan 0.000 0.569 479 Y N -0.110 120.424 120.300 0.390 0.000 2.570 479 Y HA 0.482 5.034 4.550 0.004 0.000 0.345 479 Y C 0.054 176.029 175.900 0.124 0.000 1.014 479 Y CA -1.771 56.450 58.100 0.201 0.000 1.063 479 Y CB 1.561 40.180 38.460 0.265 0.000 1.272 479 Y HN -0.480 nan 8.280 nan 0.000 0.477 480 K N 0.915 121.462 120.400 0.245 0.000 2.385 480 K HA 0.367 4.686 4.320 -0.002 0.000 0.248 480 K C -1.766 175.153 176.600 0.531 0.000 0.955 480 K CA -0.733 55.696 56.287 0.237 0.000 0.816 480 K CB 1.298 33.840 32.500 0.071 0.000 1.250 480 K HN 0.645 nan 8.250 nan 0.000 0.434 481 W N 2.207 123.637 121.300 0.216 0.000 2.287 481 W HA 0.203 4.861 4.660 -0.003 0.000 0.313 481 W C 0.641 177.349 176.519 0.315 0.000 1.267 481 W CA -0.499 56.977 57.345 0.219 0.000 1.201 481 W CB 0.429 29.963 29.460 0.124 0.000 1.196 481 W HN 0.432 nan 8.180 nan 0.000 0.536 482 N N 4.282 123.188 118.700 0.344 0.000 3.034 482 N HA 0.086 4.825 4.740 -0.002 0.000 0.265 482 N C 1.062 176.680 175.510 0.181 0.000 1.166 482 N CA 0.082 53.171 53.050 0.065 0.000 1.081 482 N CB 0.065 38.325 38.487 -0.378 0.000 1.378 482 N HN 0.433 nan 8.380 nan 0.000 0.520 483 L N 0.407 121.796 121.223 0.276 0.000 2.083 483 L HA -0.049 4.290 4.340 -0.002 0.000 0.209 483 L C 2.340 179.412 176.870 0.337 0.000 1.083 483 L CA 1.200 56.211 54.840 0.286 0.000 0.752 483 L CB -0.533 41.727 42.059 0.336 0.000 0.899 483 L HN 0.418 nan 8.230 nan 0.000 0.433 484 G N -0.176 108.800 108.800 0.294 0.000 2.491 484 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.218 484 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.218 484 G C 1.299 176.392 174.900 0.321 0.000 1.180 484 G CA 0.781 46.054 45.100 0.288 0.000 0.774 484 G HN 0.536 nan 8.290 nan 0.000 0.562 485 W N 0.481 121.843 121.300 0.103 0.000 2.342 485 W HA -0.076 4.584 4.660 0.000 0.000 0.297 485 W C 2.492 179.022 176.519 0.017 0.000 1.213 485 W CA 1.931 59.291 57.345 0.026 0.000 1.251 485 W CB -0.005 29.384 29.460 -0.118 0.000 1.136 485 W HN 0.159 nan 8.180 nan 0.000 0.526 486 M N 0.212 119.972 119.600 0.266 0.000 2.067 486 M HA -0.253 4.226 4.480 -0.002 0.000 0.260 486 M C 1.853 178.048 176.300 -0.176 0.000 1.069 486 M CA 2.309 57.626 55.300 0.028 0.000 1.117 486 M CB -1.420 31.209 32.600 0.049 0.000 1.334 486 M HN 0.150 nan 8.290 nan 0.000 0.407 487 H N 0.239 119.297 119.070 -0.019 0.000 2.353 487 H HA -0.139 4.415 4.556 -0.002 0.000 0.300 487 H C 1.771 177.026 175.328 -0.122 0.000 1.090 487 H CA 1.970 57.984 56.048 -0.057 0.000 1.327 487 H CB -0.139 29.612 29.762 -0.018 0.000 1.383 487 H HN 0.451 nan 8.280 nan 0.000 0.508 488 D N -0.513 119.879 120.400 -0.015 0.000 2.084 488 D HA -0.132 4.507 4.640 -0.002 0.000 0.196 488 D C 2.407 178.551 176.300 -0.260 0.000 0.985 488 D CA 2.066 56.005 54.000 -0.102 0.000 0.826 488 D CB -0.625 40.156 40.800 -0.032 0.000 0.978 488 D HN 0.527 nan 8.370 nan 0.000 0.456 489 T N -0.597 113.656 114.554 -0.500 0.000 2.857 489 T HA -0.090 4.259 4.350 -0.002 0.000 0.266 489 T C 2.045 176.425 174.700 -0.534 0.000 1.048 489 T CA 0.398 62.123 62.100 -0.624 0.000 1.139 489 T CB -0.370 67.927 68.868 -0.952 0.000 0.874 489 T HN -0.066 nan 8.240 nan 0.000 0.455 490 L N 2.096 123.057 121.223 -0.437 0.000 2.093 490 L HA 0.016 4.355 4.340 -0.002 0.000 0.208 490 L C 2.276 178.984 176.870 -0.269 0.000 1.085 490 L CA 1.495 56.116 54.840 -0.364 0.000 0.755 490 L CB -1.176 40.742 42.059 -0.235 0.000 0.904 490 L HN 0.238 nan 8.230 nan 0.000 0.435 491 D N -1.744 118.537 120.400 -0.198 0.000 2.104 491 D HA -0.274 4.365 4.640 -0.002 0.000 0.194 491 D C 2.089 178.264 176.300 -0.208 0.000 0.994 491 D CA 1.341 55.236 54.000 -0.174 0.000 0.830 491 D CB -0.284 40.437 40.800 -0.132 0.000 0.959 491 D HN 0.343 nan 8.370 nan 0.000 0.452 492 Y N 1.034 121.128 120.300 -0.342 0.000 2.070 492 Y HA -0.260 4.290 4.550 -0.001 0.000 0.280 492 Y C 2.307 177.976 175.900 -0.385 0.000 1.148 492 Y CA 1.633 59.514 58.100 -0.365 0.000 1.125 492 Y CB -0.160 38.030 38.460 -0.451 0.000 0.975 492 Y HN -0.168 nan 8.280 nan 0.000 0.492 493 M N 0.512 119.933 119.600 -0.299 0.000 2.195 493 M HA -0.248 4.231 4.480 -0.002 0.000 0.260 493 M C 2.107 178.223 176.300 -0.307 0.000 1.066 493 M CA 1.683 56.768 55.300 -0.359 0.000 1.089 493 M CB -1.213 31.070 32.600 -0.530 0.000 1.377 493 M HN 0.284 nan 8.290 nan 0.000 0.411 494 K N 0.298 120.528 120.400 -0.283 0.000 2.211 494 K HA -0.008 4.311 4.320 -0.002 0.000 0.203 494 K C 0.413 176.892 176.600 -0.201 0.000 1.050 494 K CA 0.298 56.453 56.287 -0.219 0.000 0.945 494 K CB 0.078 32.464 32.500 -0.191 0.000 0.732 494 K HN 0.228 nan 8.250 nan 0.000 0.451 495 L N 1.900 122.967 121.223 -0.259 0.000 2.439 495 L HA 0.014 4.353 4.340 -0.002 0.000 0.269 495 L C 0.506 177.298 176.870 -0.131 0.000 1.179 495 L CA -0.316 54.405 54.840 -0.198 0.000 0.828 495 L CB 0.445 42.335 42.059 -0.282 0.000 1.106 495 L HN 0.216 nan 8.230 nan 0.000 0.467 496 D N 3.147 123.559 120.400 0.019 0.000 2.424 496 D HA 0.033 4.672 4.640 -0.002 0.000 0.244 496 D C -1.688 174.567 176.300 -0.074 0.000 1.134 496 D CA -1.304 52.693 54.000 -0.006 0.000 0.881 496 D CB 1.811 42.642 40.800 0.052 0.000 1.191 496 D HN 0.256 nan 8.370 nan 0.000 0.445 497 P HA -0.203 nan 4.420 nan 0.000 0.218 497 P C 1.457 178.670 177.300 -0.144 0.000 1.152 497 P CA 1.142 64.178 63.100 -0.107 0.000 0.857 497 P CB 0.038 31.707 31.700 -0.052 0.000 0.787 498 V N -5.172 114.603 119.914 -0.232 0.000 3.026 498 V HA -0.174 3.945 4.120 -0.002 0.000 0.265 498 V C 1.334 177.196 176.094 -0.386 0.000 1.121 498 V CA 1.605 63.693 62.300 -0.354 0.000 1.142 498 V CB -1.843 29.683 31.823 -0.495 0.000 0.730 498 V HN 0.086 nan 8.190 nan 0.000 0.503 499 Y N -0.339 119.960 120.300 -0.001 0.000 2.467 499 Y HA 0.455 5.003 4.550 -0.002 0.000 0.250 499 Y C 2.390 178.326 175.900 0.059 0.000 1.155 499 Y CA -0.429 57.742 58.100 0.119 0.000 1.249 499 Y CB -0.047 38.495 38.460 0.137 0.000 1.146 499 Y HN 0.109 nan 8.280 nan 0.000 0.524 500 R N 0.983 121.476 120.500 -0.012 0.000 2.148 500 R HA -0.129 4.210 4.340 -0.002 0.000 0.223 500 R C 2.234 178.541 176.300 0.011 0.000 1.088 500 R CA 1.221 57.245 56.100 -0.125 0.000 0.985 500 R CB -0.142 29.962 30.300 -0.328 0.000 0.880 500 R HN 0.535 nan 8.270 nan 0.000 0.451 501 Q N -0.857 118.857 119.800 -0.144 0.000 2.368 501 Q HA -0.210 4.129 4.340 -0.002 0.000 0.210 501 Q C 0.597 176.428 176.000 -0.282 0.000 0.982 501 Q CA 1.566 57.214 55.803 -0.259 0.000 0.884 501 Q CB -0.198 28.249 28.738 -0.485 0.000 0.933 501 Q HN 0.518 nan 8.270 nan 0.000 0.460 502 Y N -0.565 119.749 120.300 0.023 0.000 2.466 502 Y HA 0.162 4.711 4.550 -0.002 0.000 0.272 502 Y C 0.763 176.418 175.900 -0.408 0.000 1.169 502 Y CA -0.054 57.939 58.100 -0.179 0.000 1.285 502 Y CB 0.617 38.934 38.460 -0.237 0.000 1.078 502 Y HN 0.268 nan 8.280 nan 0.000 0.523 503 H N -1.743 117.452 119.070 0.208 0.000 2.750 503 H HA 0.104 4.659 4.556 -0.002 0.000 0.239 503 H C 1.020 176.514 175.328 0.276 0.000 1.210 503 H CA -0.088 56.074 56.048 0.190 0.000 0.936 503 H CB -0.093 29.741 29.762 0.121 0.000 2.074 503 H HN 0.504 nan 8.280 nan 0.000 0.622 504 H N 1.968 121.152 119.070 0.190 0.000 2.390 504 H HA -0.128 4.427 4.556 -0.001 0.000 0.298 504 H C 1.431 176.782 175.328 0.038 0.000 1.106 504 H CA 1.842 57.955 56.048 0.109 0.000 1.297 504 H CB 0.497 30.284 29.762 0.042 0.000 1.375 504 H HN 0.560 nan 8.280 nan 0.000 0.509 505 D N 0.604 121.090 120.400 0.143 0.000 2.263 505 D HA -0.149 4.490 4.640 -0.002 0.000 0.208 505 D C 1.567 177.918 176.300 0.086 0.000 0.971 505 D CA 0.674 54.740 54.000 0.110 0.000 0.867 505 D CB -0.352 40.520 40.800 0.119 0.000 0.929 505 D HN 0.363 nan 8.370 nan 0.000 0.492 506 K N -0.567 119.856 120.400 0.039 0.000 2.362 506 K HA -0.030 4.289 4.320 -0.002 0.000 0.200 506 K C 1.403 177.907 176.600 -0.160 0.000 1.046 506 K CA 0.283 56.558 56.287 -0.020 0.000 0.952 506 K CB 0.246 32.752 32.500 0.010 0.000 0.753 506 K HN 0.109 nan 8.250 nan 0.000 0.466 507 L N -0.370 120.680 121.223 -0.288 0.000 2.575 507 L HA 0.006 4.345 4.340 -0.002 0.000 0.228 507 L C 2.066 179.028 176.870 0.154 0.000 1.075 507 L CA 1.251 55.910 54.840 -0.302 0.000 0.867 507 L CB 0.197 41.753 42.059 -0.838 0.000 1.097 507 L HN 0.157 nan 8.230 nan 0.000 0.485 508 T N -4.983 109.660 114.554 0.149 0.000 3.037 508 T HA -0.046 4.303 4.350 -0.002 0.000 0.252 508 T C 1.792 176.739 174.700 0.411 0.000 1.073 508 T CA 0.155 62.465 62.100 0.350 0.000 1.091 508 T CB -0.605 68.304 68.868 0.070 0.000 0.935 508 T HN 0.104 nan 8.240 nan 0.000 0.488 509 F N 2.740 122.810 119.950 0.200 0.000 2.293 509 F HA 0.183 4.710 4.527 0.000 0.000 0.300 509 F C 2.285 178.244 175.800 0.265 0.000 1.086 509 F CA 0.892 59.031 58.000 0.233 0.000 1.375 509 F CB -0.467 38.656 39.000 0.205 0.000 1.045 509 F HN 0.264 nan 8.300 nan 0.000 0.516 510 G N 0.998 109.930 108.800 0.220 0.000 2.450 510 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.220 510 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.220 510 G C 1.587 176.284 174.900 -0.339 0.000 1.130 510 G CA 1.042 46.120 45.100 -0.036 0.000 0.760 510 G HN 0.361 nan 8.290 nan 0.000 0.557 511 I N 0.749 121.261 120.570 -0.097 0.000 2.353 511 I HA 0.008 4.177 4.170 -0.002 0.000 0.248 511 I C 2.757 178.725 176.117 -0.249 0.000 1.119 511 I CA 0.576 61.679 61.300 -0.328 0.000 1.417 511 I CB -0.879 36.972 38.000 -0.249 0.000 1.078 511 I HN 0.176 nan 8.210 nan 0.000 0.421 512 L N 0.198 121.329 121.223 -0.152 0.000 2.129 512 L HA -0.237 4.102 4.340 -0.002 0.000 0.212 512 L C 2.064 178.902 176.870 -0.054 0.000 1.087 512 L CA 1.679 56.471 54.840 -0.081 0.000 0.757 512 L CB -0.631 41.363 42.059 -0.108 0.000 0.896 512 L HN 0.429 nan 8.230 nan 0.000 0.434 513 Y N -4.152 116.028 120.300 -0.199 0.000 2.641 513 Y HA 0.251 4.799 4.550 -0.003 0.000 0.248 513 Y C 1.621 177.529 175.900 0.013 0.000 1.170 513 Y CA -0.545 57.508 58.100 -0.077 0.000 1.201 513 Y CB -1.097 37.312 38.460 -0.084 0.000 1.232 513 Y HN 0.029 nan 8.280 nan 0.000 0.537 514 N N 0.574 119.001 118.700 -0.455 0.000 2.453 514 N HA -0.179 4.560 4.740 -0.002 0.000 0.183 514 N C 0.016 175.199 175.510 -0.545 0.000 1.041 514 N CA 1.045 53.797 53.050 -0.496 0.000 0.900 514 N CB -0.107 37.856 38.487 -0.874 0.000 0.961 514 N HN 0.542 nan 8.380 nan 0.000 0.443 515 Y N 0.059 120.354 120.300 -0.009 0.000 2.493 515 Y HA 0.146 4.694 4.550 -0.003 0.000 0.275 515 Y C 2.090 177.956 175.900 -0.057 0.000 1.183 515 Y CA 0.353 58.432 58.100 -0.035 0.000 1.258 515 Y CB 0.152 38.588 38.460 -0.040 0.000 1.108 515 Y HN 0.123 nan 8.280 nan 0.000 0.521 516 T N -3.647 110.918 114.554 0.019 0.000 3.022 516 T HA 0.198 4.547 4.350 -0.002 0.000 0.250 516 T C 0.385 174.977 174.700 -0.180 0.000 1.060 516 T CA 0.220 62.311 62.100 -0.015 0.000 1.013 516 T CB 0.417 69.336 68.868 0.085 0.000 0.982 516 T HN -0.032 nan 8.240 nan 0.000 0.508 517 E N 1.240 121.197 120.200 -0.406 0.000 2.433 517 E HA 0.378 4.727 4.350 -0.002 0.000 0.278 517 E C -1.443 174.632 176.600 -0.875 0.000 0.976 517 E CA -0.801 55.173 56.400 -0.710 0.000 0.793 517 E CB 1.362 30.390 29.700 -1.120 0.000 1.311 517 E HN 0.102 nan 8.360 nan 0.000 0.460 518 N N 1.387 119.569 118.700 -0.864 0.000 2.462 518 N HA 0.336 5.075 4.740 -0.002 0.000 0.242 518 N C -0.873 174.404 175.510 -0.389 0.000 1.010 518 N CA -0.011 52.408 53.050 -1.051 0.000 0.939 518 N CB 0.339 37.977 38.487 -1.416 0.000 1.127 518 N HN 0.228 nan 8.380 nan 0.000 0.509 519 F N 0.612 120.615 119.950 0.088 0.000 2.399 519 F HA 0.352 4.880 4.527 0.003 0.000 0.334 519 F C 0.709 176.622 175.800 0.187 0.000 1.097 519 F CA -0.985 57.106 58.000 0.151 0.000 1.076 519 F CB 1.355 40.386 39.000 0.050 0.000 1.162 519 F HN -0.006 nan 8.300 nan 0.000 0.495 520 V N 4.716 124.841 119.914 0.352 0.000 2.481 520 V HA 0.276 4.395 4.120 -0.002 0.000 0.286 520 V C -0.065 175.942 176.094 -0.145 0.000 1.042 520 V CA -0.833 61.494 62.300 0.046 0.000 0.928 520 V CB 1.563 33.393 31.823 0.012 0.000 0.986 520 V HN 0.477 nan 8.190 nan 0.000 0.462 521 L N 7.795 128.787 121.223 -0.386 0.000 2.260 521 L HA 0.510 4.849 4.340 -0.002 0.000 0.289 521 L C -2.453 174.121 176.870 -0.493 0.000 1.057 521 L CA -1.264 53.211 54.840 -0.607 0.000 0.811 521 L CB 1.332 42.709 42.059 -1.137 0.000 1.184 521 L HN 0.463 nan 8.230 nan 0.000 0.429 522 P HA 0.314 nan 4.420 nan 0.000 0.310 522 P C -1.215 175.942 177.300 -0.239 0.000 1.505 522 P CA -0.665 62.136 63.100 -0.500 0.000 1.118 522 P CB 2.492 33.559 31.700 -1.054 0.000 1.177 523 L N 2.733 123.861 121.223 -0.158 0.000 2.353 523 L HA 0.339 4.678 4.340 -0.002 0.000 0.269 523 L C 1.037 177.862 176.870 -0.076 0.000 1.085 523 L CA 0.087 54.908 54.840 -0.031 0.000 0.938 523 L CB -0.216 41.910 42.059 0.111 0.000 1.312 523 L HN 0.436 nan 8.230 nan 0.000 0.429 524 S N 0.634 116.230 115.700 -0.174 0.000 2.738 524 S HA 0.287 4.756 4.470 -0.002 0.000 0.284 524 S C 1.440 175.817 174.600 -0.373 0.000 1.146 524 S CA 0.044 58.124 58.200 -0.200 0.000 0.997 524 S CB 0.604 63.697 63.200 -0.178 0.000 1.081 524 S HN 0.765 nan 8.310 nan 0.000 0.553 525 H N -0.968 117.608 119.070 -0.822 0.000 2.489 525 H HA 0.052 4.606 4.556 -0.002 0.000 0.293 525 H C 1.005 176.018 175.328 -0.526 0.000 1.066 525 H CA 1.512 56.706 56.048 -1.423 0.000 1.305 525 H CB -0.406 28.136 29.762 -2.032 0.000 1.386 525 H HN 0.541 nan 8.280 nan 0.000 0.551 526 D N 0.561 120.500 120.400 -0.770 0.000 2.264 526 D HA -0.093 4.546 4.640 -0.002 0.000 0.208 526 D C 1.288 177.507 176.300 -0.134 0.000 0.966 526 D CA 0.763 54.545 54.000 -0.363 0.000 0.864 526 D CB 0.055 40.705 40.800 -0.250 0.000 0.933 526 D HN 0.549 nan 8.370 nan 0.000 0.499 527 E N -0.137 119.976 120.200 -0.145 0.000 2.474 527 E HA 0.009 4.359 4.350 -0.002 0.000 0.194 527 E C 1.225 177.812 176.600 -0.023 0.000 1.041 527 E CA 0.132 56.494 56.400 -0.064 0.000 0.874 527 E CB 0.663 30.321 29.700 -0.069 0.000 0.914 527 E HN 0.201 nan 8.360 nan 0.000 0.498 528 V N -1.355 118.545 119.914 -0.023 0.000 2.804 528 V HA 0.390 4.509 4.120 -0.002 0.000 0.360 528 V C 0.261 176.401 176.094 0.076 0.000 1.282 528 V CA -0.665 61.663 62.300 0.047 0.000 1.274 528 V CB -0.305 31.579 31.823 0.102 0.000 1.415 528 V HN -0.103 nan 8.190 nan 0.000 0.610 529 V N -4.412 115.514 119.914 0.021 0.000 3.165 529 V HA 0.669 4.788 4.120 -0.002 0.000 0.309 529 V C 0.417 176.505 176.094 -0.009 0.000 1.267 529 V CA -0.885 61.377 62.300 -0.063 0.000 1.067 529 V CB 1.424 33.099 31.823 -0.248 0.000 1.082 529 V HN 0.461 nan 8.190 nan 0.000 0.451 530 H N 0.399 119.542 119.070 0.121 0.000 2.713 530 H HA -0.162 4.392 4.556 -0.002 0.000 0.311 530 H C 1.399 176.762 175.328 0.058 0.000 1.175 530 H CA 1.676 57.779 56.048 0.092 0.000 1.143 530 H CB -1.544 28.281 29.762 0.104 0.000 1.434 530 H HN 2.309 nan 8.280 nan 0.000 0.418 531 G N -0.461 108.421 108.800 0.137 0.000 2.143 531 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.248 531 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.248 531 G C 1.098 176.038 174.900 0.066 0.000 0.991 531 G CA 0.637 45.788 45.100 0.085 0.000 0.689 531 G HN 0.548 nan 8.290 nan 0.000 0.522 532 K N -0.037 120.405 120.400 0.069 0.000 2.393 532 K HA 0.204 4.523 4.320 -0.002 0.000 0.193 532 K C 0.961 177.573 176.600 0.021 0.000 1.026 532 K CA 0.614 56.927 56.287 0.044 0.000 1.064 532 K CB 0.167 32.698 32.500 0.051 0.000 0.833 532 K HN 0.563 nan 8.250 nan 0.000 0.521 533 K N 0.127 120.543 120.400 0.026 0.000 4.264 533 K HA -0.134 4.185 4.320 -0.002 0.000 0.718 533 K C -0.227 176.384 176.600 0.018 0.000 2.569 533 K CA 0.423 56.718 56.287 0.014 0.000 1.807 533 K CB -0.947 31.549 32.500 -0.007 0.000 2.662 533 K HN 0.334 nan 8.250 nan 0.000 0.202 534 S N 0.248 115.957 115.700 0.014 0.000 2.608 534 S HA 0.279 4.748 4.470 -0.002 0.000 0.261 534 S C 1.563 176.161 174.600 -0.003 0.000 1.314 534 S CA -0.759 57.452 58.200 0.019 0.000 0.992 534 S CB 0.549 63.755 63.200 0.011 0.000 0.935 534 S HN 0.433 nan 8.310 nan 0.000 0.564 535 I N 0.653 121.235 120.570 0.020 0.000 2.142 535 I HA -0.113 4.056 4.170 -0.002 0.000 0.240 535 I C 2.440 178.519 176.117 -0.064 0.000 1.078 535 I CA 1.111 62.421 61.300 0.018 0.000 1.343 535 I CB -1.847 36.227 38.000 0.124 0.000 1.046 535 I HN 0.721 nan 8.210 nan 0.000 0.405 536 L N 1.428 122.594 121.223 -0.096 0.000 2.021 536 L HA -0.260 4.079 4.340 -0.002 0.000 0.215 536 L C 1.785 178.526 176.870 -0.215 0.000 1.074 536 L CA 2.094 56.801 54.840 -0.221 0.000 0.760 536 L CB -1.007 40.895 42.059 -0.261 0.000 0.889 536 L HN 0.180 nan 8.230 nan 0.000 0.433 537 D N -0.946 119.372 120.400 -0.135 0.000 2.371 537 D HA -0.075 4.565 4.640 -0.002 0.000 0.221 537 D C 2.139 178.375 176.300 -0.108 0.000 0.986 537 D CA 0.550 54.482 54.000 -0.112 0.000 0.899 537 D CB -0.004 40.760 40.800 -0.061 0.000 0.902 537 D HN 0.404 nan 8.370 nan 0.000 0.530 538 R N -0.532 119.896 120.500 -0.119 0.000 2.240 538 R HA 0.113 4.452 4.340 -0.002 0.000 0.203 538 R C 0.482 176.689 176.300 -0.154 0.000 1.011 538 R CA 0.250 56.274 56.100 -0.127 0.000 1.007 538 R CB 0.167 30.386 30.300 -0.134 0.000 0.911 538 R HN 0.092 nan 8.270 nan 0.000 0.468 539 M N 2.444 121.937 119.600 -0.179 0.000 2.219 539 M HA 0.177 4.656 4.480 -0.002 0.000 0.353 539 M C -2.053 174.155 176.300 -0.154 0.000 1.304 539 M CA -2.493 52.693 55.300 -0.190 0.000 1.115 539 M CB 0.168 32.624 32.600 -0.241 0.000 1.664 539 M HN -0.114 nan 8.290 nan 0.000 0.459 540 P HA 0.555 nan 4.420 nan 0.000 0.278 540 P C 0.222 177.480 177.300 -0.071 0.000 1.266 540 P CA 0.170 63.217 63.100 -0.088 0.000 0.807 540 P CB 1.054 32.708 31.700 -0.077 0.000 1.094 541 G N 1.035 109.811 108.800 -0.040 0.000 2.698 541 G HA2 -0.095 3.864 3.960 -0.002 0.000 0.225 541 G HA3 -0.095 3.864 3.960 -0.002 0.000 0.225 541 G C -0.793 174.102 174.900 -0.009 0.000 1.345 541 G CA 0.025 45.119 45.100 -0.010 0.000 0.871 541 G HN 0.840 nan 8.290 nan 0.000 0.540 542 D N -0.295 120.124 120.400 0.031 0.000 2.447 542 D HA 0.684 5.323 4.640 -0.002 0.000 0.265 542 D C 1.772 178.081 176.300 0.014 0.000 1.250 542 D CA 0.811 54.836 54.000 0.042 0.000 1.046 542 D CB 0.155 41.007 40.800 0.086 0.000 1.095 542 D HN 1.329 nan 8.370 nan 0.000 0.555 543 A N -0.498 122.332 122.820 0.017 0.000 1.873 543 A HA -0.183 4.136 4.320 -0.002 0.000 0.218 543 A C 2.023 179.395 177.584 -0.354 0.000 1.193 543 A CA 1.961 53.920 52.037 -0.131 0.000 0.629 543 A CB -1.695 17.283 19.000 -0.035 0.000 0.826 543 A HN 0.793 nan 8.150 nan 0.000 0.447 544 W N 0.502 121.621 121.300 -0.302 0.000 2.358 544 W HA -0.219 4.440 4.660 -0.001 0.000 0.303 544 W C 2.388 178.835 176.519 -0.120 0.000 1.208 544 W CA 2.103 59.341 57.345 -0.179 0.000 1.274 544 W CB -0.150 29.427 29.460 0.195 0.000 1.138 544 W HN 0.474 nan 8.180 nan 0.000 0.515 545 Q N 0.069 119.990 119.800 0.202 0.000 2.119 545 Q HA -0.190 4.149 4.340 -0.002 0.000 0.201 545 Q C 2.123 178.012 176.000 -0.186 0.000 0.972 545 Q CA 1.636 57.477 55.803 0.064 0.000 0.847 545 Q CB -0.286 28.555 28.738 0.173 0.000 0.903 545 Q HN 0.256 nan 8.270 nan 0.000 0.433 546 K N 0.138 120.401 120.400 -0.229 0.000 2.020 546 K HA -0.165 4.154 4.320 -0.002 0.000 0.212 546 K C 1.715 178.024 176.600 -0.484 0.000 1.050 546 K CA 1.611 57.687 56.287 -0.352 0.000 0.929 546 K CB -0.148 32.104 32.500 -0.414 0.000 0.714 546 K HN 0.100 nan 8.250 nan 0.000 0.443 547 F N 0.420 120.028 119.950 -0.571 0.000 2.206 547 F HA -0.113 4.413 4.527 -0.002 0.000 0.298 547 F C 2.382 177.883 175.800 -0.497 0.000 1.090 547 F CA 0.923 58.583 58.000 -0.566 0.000 1.323 547 F CB -0.410 38.099 39.000 -0.820 0.000 1.028 547 F HN 0.058 nan 8.300 nan 0.000 0.492 548 A N 0.387 122.918 122.820 -0.482 0.000 1.883 548 A HA -0.222 4.097 4.320 -0.002 0.000 0.217 548 A C 2.212 179.650 177.584 -0.243 0.000 1.186 548 A CA 1.976 53.719 52.037 -0.490 0.000 0.624 548 A CB -0.870 17.592 19.000 -0.896 0.000 0.822 548 A HN 0.350 nan 8.150 nan 0.000 0.444 549 N N -0.303 118.279 118.700 -0.198 0.000 2.043 549 N HA -0.176 4.563 4.740 -0.002 0.000 0.193 549 N C 1.730 177.198 175.510 -0.070 0.000 1.037 549 N CA 1.740 54.741 53.050 -0.082 0.000 0.851 549 N CB -0.526 37.898 38.487 -0.106 0.000 1.027 549 N HN 0.409 nan 8.380 nan 0.000 0.422 550 L N 2.091 123.195 121.223 -0.198 0.000 1.990 550 L HA -0.165 4.174 4.340 -0.002 0.000 0.213 550 L C 2.353 179.008 176.870 -0.358 0.000 1.072 550 L CA 1.651 56.310 54.840 -0.302 0.000 0.755 550 L CB -0.339 41.479 42.059 -0.403 0.000 0.889 550 L HN 0.079 nan 8.230 nan 0.000 0.432 551 R N -0.828 119.533 120.500 -0.231 0.000 2.120 551 R HA -0.116 4.223 4.340 -0.002 0.000 0.234 551 R C 2.158 178.444 176.300 -0.024 0.000 1.123 551 R CA 1.212 57.221 56.100 -0.150 0.000 0.975 551 R CB -0.580 29.649 30.300 -0.117 0.000 0.866 551 R HN 0.548 nan 8.270 nan 0.000 0.446 552 A N 0.050 122.885 122.820 0.024 0.000 1.970 552 A HA -0.152 4.167 4.320 -0.002 0.000 0.216 552 A C 1.904 179.720 177.584 0.387 0.000 1.170 552 A CA 0.659 52.760 52.037 0.106 0.000 0.645 552 A CB -0.536 18.448 19.000 -0.027 0.000 0.816 552 A HN 0.466 nan 8.150 nan 0.000 0.447 553 Y N -1.308 119.150 120.300 0.262 0.000 2.242 553 Y HA -0.248 4.302 4.550 -0.001 0.000 0.291 553 Y C 2.199 178.454 175.900 0.592 0.000 1.137 553 Y CA 1.557 59.895 58.100 0.398 0.000 1.181 553 Y CB -0.130 38.433 38.460 0.171 0.000 0.989 553 Y HN 0.361 nan 8.280 nan 0.000 0.527 554 Y N 0.056 120.485 120.300 0.214 0.000 2.200 554 Y HA -0.071 4.478 4.550 -0.001 0.000 0.290 554 Y C 2.633 178.726 175.900 0.322 0.000 1.137 554 Y CA 0.790 59.005 58.100 0.191 0.000 1.163 554 Y CB -1.352 37.123 38.460 0.024 0.000 0.988 554 Y HN 0.216 nan 8.280 nan 0.000 0.518 555 G N -0.662 108.384 108.800 0.409 0.000 2.422 555 G HA2 -0.257 3.702 3.960 -0.002 0.000 0.218 555 G HA3 -0.257 3.702 3.960 -0.002 0.000 0.218 555 G C 1.683 177.021 174.900 0.729 0.000 1.146 555 G CA 0.562 45.911 45.100 0.415 0.000 0.769 555 G HN 0.535 nan 8.290 nan 0.000 0.547 556 W N 0.772 122.381 121.300 0.516 0.000 2.379 556 W HA -0.046 4.614 4.660 -0.000 0.000 0.307 556 W C 2.302 179.161 176.519 0.568 0.000 1.200 556 W CA 1.405 59.104 57.345 0.590 0.000 1.297 556 W CB -0.287 29.570 29.460 0.661 0.000 1.140 556 W HN 0.286 nan 8.180 nan 0.000 0.507 557 M N -0.051 119.931 119.600 0.637 0.000 2.080 557 M HA -0.268 4.211 4.480 -0.002 0.000 0.260 557 M C 2.123 178.522 176.300 0.166 0.000 1.068 557 M CA 2.237 57.764 55.300 0.377 0.000 1.109 557 M CB -0.933 31.839 32.600 0.285 0.000 1.342 557 M HN 0.048 nan 8.290 nan 0.000 0.405 558 W N -0.194 121.177 121.300 0.119 0.000 2.825 558 W HA 0.017 4.677 4.660 -0.000 0.000 0.243 558 W C 1.940 178.492 176.519 0.055 0.000 1.293 558 W CA 0.815 58.178 57.345 0.030 0.000 1.403 558 W CB -0.001 29.561 29.460 0.171 0.000 1.134 558 W HN 0.441 nan 8.180 nan 0.000 0.666 559 A N -0.991 121.990 122.820 0.268 0.000 2.085 559 A HA 0.055 4.374 4.320 -0.002 0.000 0.208 559 A C 0.374 177.964 177.584 0.009 0.000 1.191 559 A CA -0.210 51.810 52.037 -0.029 0.000 0.799 559 A CB -0.615 18.289 19.000 -0.160 0.000 0.877 559 A HN 0.013 nan 8.150 nan 0.000 0.473 560 F N 1.471 121.274 119.950 -0.245 0.000 2.518 560 F HA 0.359 4.886 4.527 -0.000 0.000 0.359 560 F C -2.237 173.288 175.800 -0.458 0.000 1.118 560 F CA -2.117 55.595 58.000 -0.481 0.000 1.287 560 F CB 0.603 39.280 39.000 -0.539 0.000 1.132 560 F HN -0.034 nan 8.300 nan 0.000 0.587 561 P HA 0.299 nan 4.420 nan 0.000 0.264 561 P C -0.679 176.354 177.300 -0.446 0.000 1.193 561 P CA 0.490 63.189 63.100 -0.669 0.000 0.763 561 P CB 0.306 31.474 31.700 -0.887 0.000 0.810 562 G N 1.561 110.169 108.800 -0.320 0.000 2.326 562 G HA2 0.074 4.033 3.960 -0.002 0.000 0.478 562 G HA3 0.074 4.033 3.960 -0.002 0.000 0.478 562 G C -1.209 173.583 174.900 -0.179 0.000 1.551 562 G CA -0.970 44.046 45.100 -0.141 0.000 0.946 562 G HN 0.226 nan 8.290 nan 0.000 0.671 563 K N 0.220 120.596 120.400 -0.039 0.000 2.187 563 K HA 0.476 4.795 4.320 -0.002 0.000 0.247 563 K C 0.202 176.592 176.600 -0.350 0.000 1.019 563 K CA -0.068 56.139 56.287 -0.134 0.000 0.893 563 K CB 0.521 32.957 32.500 -0.106 0.000 1.025 563 K HN 0.434 nan 8.250 nan 0.000 0.500 564 K N 0.649 120.784 120.400 -0.442 0.000 2.221 564 K HA 0.498 4.817 4.320 -0.002 0.000 0.258 564 K C -0.661 175.695 176.600 -0.408 0.000 0.944 564 K CA -0.391 55.504 56.287 -0.652 0.000 0.823 564 K CB 1.244 33.035 32.500 -1.181 0.000 1.113 564 K HN 0.449 nan 8.250 nan 0.000 0.431 565 L N 3.616 124.594 121.223 -0.408 0.000 2.438 565 L HA 0.592 4.931 4.340 -0.002 0.000 0.270 565 L C -1.886 174.882 176.870 -0.169 0.000 0.972 565 L CA -1.104 53.588 54.840 -0.247 0.000 0.831 565 L CB 1.263 43.122 42.059 -0.333 0.000 1.273 565 L HN 0.537 nan 8.230 nan 0.000 0.405 566 L N 4.722 125.949 121.223 0.006 0.000 2.409 566 L HA 0.505 4.844 4.340 -0.002 0.000 0.272 566 L C -1.148 175.767 176.870 0.076 0.000 0.980 566 L CA -0.126 54.776 54.840 0.104 0.000 0.826 566 L CB 1.736 43.989 42.059 0.322 0.000 1.268 566 L HN 0.517 nan 8.230 nan 0.000 0.407 567 F N 6.032 125.919 119.950 -0.106 0.000 2.443 567 F HA 0.420 4.945 4.527 -0.002 0.000 0.353 567 F C 0.744 176.411 175.800 -0.223 0.000 1.101 567 F CA -0.768 57.098 58.000 -0.223 0.000 1.226 567 F CB 0.824 39.699 39.000 -0.209 0.000 1.140 567 F HN 0.635 nan 8.300 nan 0.000 0.557 568 M N 4.769 123.685 119.600 -1.140 0.000 2.226 568 M HA 0.241 4.721 4.480 -0.002 0.000 0.352 568 M C 0.989 176.914 176.300 -0.626 0.000 1.226 568 M CA 1.197 56.041 55.300 -0.761 0.000 0.943 568 M CB -0.651 31.515 32.600 -0.724 0.000 1.805 568 M HN 1.012 nan 8.290 nan 0.000 0.465 569 G N 2.458 110.984 108.800 -0.456 0.000 2.358 569 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.224 569 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.224 569 G C 0.695 175.179 174.900 -0.693 0.000 1.073 569 G CA 0.529 45.111 45.100 -0.864 0.000 0.635 569 G HN 0.869 nan 8.290 nan 0.000 0.509 570 N N 1.227 119.790 118.700 -0.228 0.000 2.309 570 N HA -0.023 4.716 4.740 -0.002 0.000 0.182 570 N C 1.960 177.524 175.510 0.090 0.000 1.018 570 N CA 1.128 54.182 53.050 0.006 0.000 0.876 570 N CB -0.126 38.457 38.487 0.160 0.000 0.972 570 N HN 0.706 nan 8.380 nan 0.000 0.434 571 E N 1.459 121.705 120.200 0.076 0.000 2.427 571 E HA -0.147 4.202 4.350 -0.002 0.000 0.196 571 E C 0.562 177.352 176.600 0.317 0.000 1.028 571 E CA 0.734 57.285 56.400 0.251 0.000 0.864 571 E CB -0.233 29.712 29.700 0.408 0.000 0.813 571 E HN 0.627 nan 8.360 nan 0.000 0.514 572 F N -1.320 118.763 119.950 0.221 0.000 2.735 572 F HA 0.738 5.264 4.527 -0.001 0.000 0.308 572 F C 0.485 176.460 175.800 0.291 0.000 1.112 572 F CA -0.670 57.460 58.000 0.217 0.000 1.235 572 F CB 0.288 39.351 39.000 0.105 0.000 1.027 572 F HN 0.024 nan 8.300 nan 0.000 0.528 573 A N 1.199 124.108 122.820 0.148 0.000 2.578 573 A HA -0.301 4.018 4.320 -0.002 0.000 0.298 573 A C 0.427 178.129 177.584 0.197 0.000 1.472 573 A CA 0.914 53.065 52.037 0.190 0.000 0.734 573 A CB -2.363 16.833 19.000 0.328 0.000 1.091 573 A HN 0.803 nan 8.150 nan 0.000 0.426 574 Q N -0.279 119.451 119.800 -0.118 0.000 2.315 574 Q HA 0.331 4.670 4.340 -0.002 0.000 0.289 574 Q C 1.481 177.495 176.000 0.023 0.000 1.044 574 Q CA 0.930 56.692 55.803 -0.068 0.000 0.920 574 Q CB 0.486 29.096 28.738 -0.214 0.000 1.214 574 Q HN 0.978 nan 8.270 nan 0.000 0.392 575 G N 4.427 113.266 108.800 0.066 0.000 2.396 575 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.214 575 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.214 575 G C 0.255 175.178 174.900 0.039 0.000 1.166 575 G CA -0.068 45.069 45.100 0.062 0.000 0.793 575 G HN 0.537 nan 8.290 nan 0.000 0.533 576 R N 0.984 121.513 120.500 0.048 0.000 2.582 576 R HA 0.324 4.663 4.340 -0.002 0.000 0.271 576 R C -0.046 176.290 176.300 0.061 0.000 1.078 576 R CA -0.323 55.808 56.100 0.052 0.000 1.127 576 R CB 0.922 31.259 30.300 0.063 0.000 1.038 576 R HN 0.318 nan 8.270 nan 0.000 0.500 577 E N 0.686 120.923 120.200 0.062 0.000 2.447 577 E HA -0.139 4.210 4.350 -0.002 0.000 0.259 577 E C -0.647 176.045 176.600 0.154 0.000 1.196 577 E CA 0.048 56.502 56.400 0.091 0.000 0.995 577 E CB 0.350 30.085 29.700 0.058 0.000 0.974 577 E HN 0.376 nan 8.360 nan 0.000 0.465 578 W N 2.355 123.660 121.300 0.008 0.000 2.266 578 W HA 0.088 4.747 4.660 -0.001 0.000 0.317 578 W C -0.530 175.988 176.519 -0.001 0.000 1.310 578 W CA -0.365 57.002 57.345 0.038 0.000 1.207 578 W CB 0.097 29.634 29.460 0.129 0.000 1.199 578 W HN 0.316 nan 8.180 nan 0.000 0.544 579 N N 3.936 122.409 118.700 -0.378 0.000 2.518 579 N HA 0.053 4.792 4.740 -0.002 0.000 0.254 579 N C 0.763 175.850 175.510 -0.705 0.000 0.979 579 N CA -0.521 52.189 53.050 -0.566 0.000 0.930 579 N CB 0.487 38.840 38.487 -0.223 0.000 1.152 579 N HN 0.701 nan 8.380 nan 0.000 0.505 580 H N 1.291 119.799 119.070 -0.936 0.000 2.561 580 H HA 0.037 4.592 4.556 -0.002 0.000 0.278 580 H C 0.338 175.740 175.328 0.124 0.000 1.014 580 H CA 0.764 56.565 56.048 -0.411 0.000 1.211 580 H CB 0.200 29.642 29.762 -0.534 0.000 1.365 580 H HN 0.477 nan 8.280 nan 0.000 0.594 581 D N -0.115 120.093 120.400 -0.320 0.000 2.368 581 D HA 0.454 5.093 4.640 -0.002 0.000 0.218 581 D C -0.148 176.172 176.300 0.033 0.000 1.112 581 D CA 0.393 54.354 54.000 -0.066 0.000 0.834 581 D CB 0.301 40.959 40.800 -0.238 0.000 0.953 581 D HN 0.588 nan 8.370 nan 0.000 0.505 582 A N -0.970 121.902 122.820 0.086 0.000 2.602 582 A HA 0.588 4.907 4.320 -0.002 0.000 0.290 582 A C -0.362 177.350 177.584 0.212 0.000 1.114 582 A CA -0.635 51.473 52.037 0.119 0.000 0.683 582 A CB 1.106 20.141 19.000 0.059 0.000 1.281 582 A HN -0.007 nan 8.150 nan 0.000 0.416 583 S N -0.354 115.470 115.700 0.207 0.000 2.589 583 S HA 0.481 4.950 4.470 -0.002 0.000 0.265 583 S C 0.302 175.034 174.600 0.219 0.000 1.342 583 S CA -0.267 58.081 58.200 0.247 0.000 1.005 583 S CB -0.245 63.089 63.200 0.222 0.000 0.909 583 S HN 0.609 nan 8.310 nan 0.000 0.555 584 L N 1.710 123.044 121.223 0.185 0.000 2.472 584 L HA 0.245 4.584 4.340 -0.002 0.000 0.260 584 L C 0.387 177.219 176.870 -0.062 0.000 1.209 584 L CA -0.439 54.392 54.840 -0.016 0.000 0.817 584 L CB 0.184 42.061 42.059 -0.303 0.000 1.106 584 L HN 0.626 nan 8.230 nan 0.000 0.479 585 D N 0.652 121.010 120.400 -0.070 0.000 2.801 585 D HA 0.022 4.661 4.640 -0.002 0.000 0.232 585 D C 0.670 176.782 176.300 -0.314 0.000 1.128 585 D CA 0.221 54.183 54.000 -0.063 0.000 1.003 585 D CB -0.112 40.643 40.800 -0.075 0.000 1.110 585 D HN 0.392 nan 8.370 nan 0.000 0.477 586 W N 0.291 121.458 121.300 -0.221 0.000 2.421 586 W HA -0.142 4.517 4.660 -0.002 0.000 0.270 586 W C 2.448 178.735 176.519 -0.386 0.000 1.233 586 W CA 0.429 57.482 57.345 -0.487 0.000 1.226 586 W CB -0.438 28.783 29.460 -0.399 0.000 1.121 586 W HN 0.454 nan 8.180 nan 0.000 0.579 587 H N -0.297 118.775 119.070 0.004 0.000 2.541 587 H HA -0.097 4.458 4.556 -0.001 0.000 0.289 587 H C 1.625 176.909 175.328 -0.074 0.000 1.054 587 H CA 1.173 57.209 56.048 -0.020 0.000 1.250 587 H CB -0.811 28.953 29.762 0.003 0.000 1.369 587 H HN 0.256 nan 8.280 nan 0.000 0.578 588 L N 0.571 121.408 121.223 -0.643 0.000 2.201 588 L HA -0.094 4.245 4.340 -0.002 0.000 0.212 588 L C 2.345 179.005 176.870 -0.350 0.000 1.105 588 L CA 0.670 55.189 54.840 -0.535 0.000 0.775 588 L CB -0.145 41.449 42.059 -0.775 0.000 0.913 588 L HN 0.247 nan 8.230 nan 0.000 0.440 589 L N -0.841 120.165 121.223 -0.362 0.000 2.591 589 L HA 0.076 4.415 4.340 -0.002 0.000 0.228 589 L C 0.608 177.461 176.870 -0.030 0.000 1.133 589 L CA -0.051 54.567 54.840 -0.370 0.000 0.880 589 L CB -0.133 41.740 42.059 -0.310 0.000 1.033 589 L HN 0.224 nan 8.230 nan 0.000 0.450 590 E N 0.254 120.465 120.200 0.019 0.000 2.319 590 E HA 0.402 4.751 4.350 -0.002 0.000 0.268 590 E C 0.375 177.055 176.600 0.134 0.000 1.050 590 E CA -0.044 56.412 56.400 0.094 0.000 0.878 590 E CB 0.978 30.727 29.700 0.082 0.000 1.066 590 E HN 0.160 nan 8.360 nan 0.000 0.406 591 G N 1.220 110.089 108.800 0.115 0.000 3.276 591 G HA2 0.013 3.972 3.960 -0.002 0.000 0.540 591 G HA3 0.013 3.972 3.960 -0.002 0.000 0.540 591 G C 0.442 175.407 174.900 0.110 0.000 0.717 591 G CA -0.213 44.942 45.100 0.091 0.000 1.000 591 G HN 0.987 nan 8.290 nan 0.000 0.509 592 G N 1.786 110.619 108.800 0.054 0.000 3.276 592 G HA2 0.158 4.117 3.960 -0.002 0.000 0.540 592 G HA3 0.158 4.117 3.960 -0.002 0.000 0.540 592 G C 0.111 175.029 174.900 0.030 0.000 0.717 592 G CA 0.867 45.978 45.100 0.020 0.000 1.000 592 G HN 1.746 nan 8.290 nan 0.000 0.509 593 D N 1.040 121.388 120.400 -0.086 0.000 2.571 593 D HA 0.362 5.001 4.640 -0.002 0.000 0.231 593 D C 0.948 177.273 176.300 0.042 0.000 1.133 593 D CA 1.451 55.372 54.000 -0.130 0.000 0.862 593 D CB 0.395 41.150 40.800 -0.076 0.000 1.179 593 D HN 0.904 nan 8.370 nan 0.000 0.474 594 N N 1.438 120.287 118.700 0.247 0.000 3.204 594 N HA 0.225 4.964 4.740 -0.002 0.000 0.285 594 N C 0.093 175.417 175.510 -0.309 0.000 1.536 594 N CA -0.892 52.042 53.050 -0.192 0.000 0.832 594 N CB -0.029 38.458 38.487 0.001 0.000 1.645 594 N HN 0.276 nan 8.380 nan 0.000 0.586 595 W N 0.276 121.212 121.300 -0.607 0.000 2.342 595 W HA -0.119 4.540 4.660 -0.002 0.000 0.297 595 W C 1.659 177.852 176.519 -0.543 0.000 1.213 595 W CA 1.474 58.313 57.345 -0.843 0.000 1.251 595 W CB -0.773 27.603 29.460 -1.806 0.000 1.136 595 W HN 0.620 nan 8.180 nan 0.000 0.526 596 H N -1.947 117.143 119.070 0.033 0.000 2.357 596 H HA -0.113 4.442 4.556 -0.002 0.000 0.301 596 H C 1.999 177.427 175.328 0.167 0.000 1.082 596 H CA 1.473 57.627 56.048 0.176 0.000 1.342 596 H CB -0.692 29.145 29.762 0.127 0.000 1.389 596 H HN 0.250 nan 8.280 nan 0.000 0.511 597 H N 0.049 119.288 119.070 0.281 0.000 2.387 597 H HA -0.067 4.488 4.556 -0.002 0.000 0.299 597 H C 2.481 177.983 175.328 0.291 0.000 1.090 597 H CA 1.113 57.316 56.048 0.257 0.000 1.332 597 H CB -0.379 29.504 29.762 0.202 0.000 1.386 597 H HN 0.438 nan 8.280 nan 0.000 0.516 598 G N 0.426 109.492 108.800 0.444 0.000 2.402 598 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.216 598 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.216 598 G C 1.955 177.071 174.900 0.360 0.000 1.162 598 G CA 0.947 46.329 45.100 0.471 0.000 0.777 598 G HN 0.258 nan 8.290 nan 0.000 0.539 599 V N 0.490 120.584 119.914 0.301 0.000 2.343 599 V HA -0.251 3.868 4.120 -0.002 0.000 0.247 599 V C 2.756 178.982 176.094 0.221 0.000 1.051 599 V CA 2.252 64.696 62.300 0.239 0.000 1.036 599 V CB -0.555 31.460 31.823 0.320 0.000 0.654 599 V HN 0.461 nan 8.190 nan 0.000 0.451 600 Q N -0.150 119.831 119.800 0.303 0.000 2.084 600 Q HA -0.231 4.108 4.340 -0.002 0.000 0.202 600 Q C 2.545 178.658 176.000 0.189 0.000 0.978 600 Q CA 1.743 57.721 55.803 0.293 0.000 0.844 600 Q CB -0.046 28.925 28.738 0.387 0.000 0.898 600 Q HN 0.554 nan 8.270 nan 0.000 0.426 601 R N -0.051 120.588 120.500 0.232 0.000 2.096 601 R HA -0.166 4.173 4.340 -0.002 0.000 0.235 601 R C 2.410 178.758 176.300 0.079 0.000 1.127 601 R CA 1.142 57.366 56.100 0.207 0.000 0.968 601 R CB -0.405 30.088 30.300 0.322 0.000 0.861 601 R HN 0.253 nan 8.270 nan 0.000 0.440 602 L N 0.858 122.013 121.223 -0.114 0.000 1.970 602 L HA -0.182 4.157 4.340 -0.002 0.000 0.212 602 L C 2.139 178.750 176.870 -0.430 0.000 1.071 602 L CA 1.678 56.176 54.840 -0.569 0.000 0.751 602 L CB -0.608 40.991 42.059 -0.767 0.000 0.889 602 L HN -0.100 nan 8.230 nan 0.000 0.432 603 V N 0.088 119.805 119.914 -0.328 0.000 2.324 603 V HA -0.371 3.748 4.120 -0.002 0.000 0.250 603 V C 2.806 178.599 176.094 -0.502 0.000 1.060 603 V CA 2.346 64.343 62.300 -0.505 0.000 1.042 603 V CB -0.817 30.827 31.823 -0.299 0.000 0.650 603 V HN 0.547 nan 8.190 nan 0.000 0.450 604 R N -0.106 120.202 120.500 -0.319 0.000 2.073 604 R HA -0.186 4.153 4.340 -0.002 0.000 0.234 604 R C 2.113 178.230 176.300 -0.305 0.000 1.134 604 R CA 2.100 58.002 56.100 -0.329 0.000 0.952 604 R CB -0.386 29.753 30.300 -0.269 0.000 0.850 604 R HN 0.519 nan 8.270 nan 0.000 0.433 605 D N 0.361 120.616 120.400 -0.241 0.000 2.123 605 D HA -0.170 4.469 4.640 -0.002 0.000 0.196 605 D C 1.816 177.966 176.300 -0.249 0.000 0.992 605 D CA 0.864 54.750 54.000 -0.190 0.000 0.833 605 D CB -0.161 40.587 40.800 -0.086 0.000 0.954 605 D HN 0.128 nan 8.370 nan 0.000 0.455 606 L N 1.222 122.186 121.223 -0.432 0.000 1.994 606 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 606 L C 1.942 178.675 176.870 -0.228 0.000 1.071 606 L CA 1.486 56.003 54.840 -0.538 0.000 0.745 606 L CB -1.084 40.310 42.059 -1.108 0.000 0.892 606 L HN -0.001 nan 8.230 nan 0.000 0.431 607 N N -0.411 118.106 118.700 -0.304 0.000 2.036 607 N HA -0.191 4.548 4.740 -0.002 0.000 0.195 607 N C 1.941 177.520 175.510 0.116 0.000 1.037 607 N CA 1.433 54.503 53.050 0.032 0.000 0.855 607 N CB -0.448 37.899 38.487 -0.233 0.000 1.033 607 N HN 0.293 nan 8.380 nan 0.000 0.423 608 L N 0.388 121.591 121.223 -0.033 0.000 2.093 608 L HA -0.112 4.227 4.340 -0.002 0.000 0.208 608 L C 2.075 179.008 176.870 0.104 0.000 1.085 608 L CA 1.069 55.900 54.840 -0.015 0.000 0.755 608 L CB -0.613 41.374 42.059 -0.119 0.000 0.904 608 L HN 0.192 nan 8.230 nan 0.000 0.435 609 T N -1.506 113.152 114.554 0.172 0.000 2.851 609 T HA -0.198 4.151 4.350 -0.002 0.000 0.262 609 T C 1.686 176.718 174.700 0.553 0.000 1.043 609 T CA 0.982 63.291 62.100 0.349 0.000 1.140 609 T CB -0.340 68.723 68.868 0.324 0.000 0.872 609 T HN 0.320 nan 8.240 nan 0.000 0.446 610 Y N 2.403 122.979 120.300 0.460 0.000 2.224 610 Y HA -0.104 4.445 4.550 -0.002 0.000 0.289 610 Y C 2.291 178.413 175.900 0.369 0.000 1.146 610 Y CA 1.206 59.596 58.100 0.483 0.000 1.182 610 Y CB -0.224 38.570 38.460 0.556 0.000 0.983 610 Y HN -0.003 nan 8.280 nan 0.000 0.524 611 R N -1.477 119.082 120.500 0.098 0.000 2.153 611 R HA -0.110 4.229 4.340 -0.002 0.000 0.218 611 R C 1.952 178.267 176.300 0.025 0.000 1.072 611 R CA 1.283 57.308 56.100 -0.124 0.000 0.990 611 R CB -0.436 29.828 30.300 -0.060 0.000 0.889 611 R HN 0.471 nan 8.270 nan 0.000 0.452 612 H N -0.374 118.698 119.070 0.003 0.000 2.448 612 H HA 0.064 4.620 4.556 -0.001 0.000 0.292 612 H C -0.044 175.176 175.328 -0.180 0.000 1.035 612 H CA 0.784 56.767 56.048 -0.109 0.000 1.349 612 H CB 0.378 30.025 29.762 -0.192 0.000 1.425 612 H HN 0.062 nan 8.280 nan 0.000 0.539 613 H N 0.999 120.137 119.070 0.114 0.000 2.597 613 H HA 0.110 4.665 4.556 -0.002 0.000 0.303 613 H C 0.791 176.035 175.328 -0.140 0.000 1.057 613 H CA -0.385 55.667 56.048 0.007 0.000 1.261 613 H CB 1.743 31.567 29.762 0.103 0.000 1.397 613 H HN 0.151 nan 8.280 nan 0.000 0.461 614 K N 2.896 123.201 120.400 -0.158 0.000 2.074 614 K HA -0.133 4.186 4.320 -0.002 0.000 0.209 614 K C 2.057 178.353 176.600 -0.506 0.000 1.048 614 K CA 1.346 57.345 56.287 -0.479 0.000 0.926 614 K CB -0.318 32.030 32.500 -0.253 0.000 0.713 614 K HN 0.669 nan 8.250 nan 0.000 0.444 615 A N 0.394 123.080 122.820 -0.223 0.000 1.986 615 A HA -0.193 4.126 4.320 -0.002 0.000 0.220 615 A C 1.774 179.237 177.584 -0.202 0.000 1.171 615 A CA 1.739 53.666 52.037 -0.183 0.000 0.640 615 A CB -0.453 18.476 19.000 -0.118 0.000 0.811 615 A HN 0.165 nan 8.150 nan 0.000 0.451 616 M N -0.738 118.758 119.600 -0.173 0.000 2.557 616 M HA 0.002 4.481 4.480 -0.002 0.000 0.259 616 M C 1.257 177.587 176.300 0.050 0.000 1.086 616 M CA 1.687 56.959 55.300 -0.046 0.000 1.096 616 M CB -1.190 31.494 32.600 0.140 0.000 1.424 616 M HN 0.917 nan 8.290 nan 0.000 0.488 617 H N -4.132 114.888 119.070 -0.084 0.000 3.950 617 H HA 0.334 4.888 4.556 -0.003 0.000 0.262 617 H C 1.364 176.630 175.328 -0.103 0.000 1.115 617 H CA -0.138 55.851 56.048 -0.100 0.000 1.171 617 H CB -0.304 29.284 29.762 -0.290 0.000 1.477 617 H HN 0.190 nan 8.280 nan 0.000 0.729 618 E N 0.532 120.547 120.200 -0.308 0.000 2.106 618 E HA -0.003 4.346 4.350 -0.002 0.000 0.192 618 E C 0.002 176.577 176.600 -0.042 0.000 0.984 618 E CA 0.765 57.092 56.400 -0.122 0.000 0.806 618 E CB 0.353 29.949 29.700 -0.174 0.000 0.750 618 E HN 0.222 nan 8.360 nan 0.000 0.458 619 L N 1.259 122.428 121.223 -0.089 0.000 3.193 619 L HA 0.108 4.447 4.340 -0.002 0.000 0.305 619 L C 0.181 176.959 176.870 -0.152 0.000 1.299 619 L CA 0.155 54.963 54.840 -0.053 0.000 0.904 619 L CB 0.641 42.717 42.059 0.027 0.000 1.331 619 L HN -0.073 nan 8.230 nan 0.000 0.588 620 D N 0.197 120.370 120.400 -0.379 0.000 2.228 620 D HA -0.181 4.458 4.640 -0.002 0.000 0.203 620 D C 1.285 177.274 176.300 -0.518 0.000 0.988 620 D CA 1.803 55.420 54.000 -0.638 0.000 0.864 620 D CB 0.173 40.289 40.800 -1.140 0.000 0.928 620 D HN 0.407 nan 8.370 nan 0.000 0.469 621 F N -0.340 119.636 119.950 0.044 0.000 2.654 621 F HA 0.177 4.703 4.527 -0.002 0.000 0.303 621 F C 0.542 176.447 175.800 0.176 0.000 1.099 621 F CA -0.800 57.236 58.000 0.060 0.000 1.270 621 F CB 0.823 39.754 39.000 -0.114 0.000 1.024 621 F HN -0.312 nan 8.300 nan 0.000 0.548 622 D N 0.772 121.324 120.400 0.253 0.000 2.593 622 D HA 0.252 4.891 4.640 -0.002 0.000 0.251 622 D C -2.055 174.229 176.300 -0.026 0.000 1.140 622 D CA -2.530 51.519 54.000 0.082 0.000 0.855 622 D CB 2.382 43.233 40.800 0.084 0.000 1.267 622 D HN -0.218 nan 8.370 nan 0.000 0.532 623 P HA -0.203 nan 4.420 nan 0.000 0.218 623 P C 1.235 178.504 177.300 -0.051 0.000 1.150 623 P CA 1.124 63.975 63.100 -0.416 0.000 0.841 623 P CB -0.076 31.352 31.700 -0.453 0.000 0.784 624 Y N 0.361 120.594 120.300 -0.111 0.000 2.241 624 Y HA -0.189 4.362 4.550 0.001 0.000 0.286 624 Y C 2.341 178.218 175.900 -0.039 0.000 1.166 624 Y CA 1.619 59.683 58.100 -0.059 0.000 1.203 624 Y CB -0.783 37.646 38.460 -0.051 0.000 0.977 624 Y HN -0.062 nan 8.280 nan 0.000 0.529 625 G N -1.476 107.325 108.800 0.003 0.000 2.776 625 G HA2 -0.113 3.846 3.960 -0.002 0.000 0.209 625 G HA3 -0.113 3.846 3.960 -0.002 0.000 0.209 625 G C -0.380 174.472 174.900 -0.079 0.000 1.145 625 G CA 0.084 45.142 45.100 -0.069 0.000 0.791 625 G HN 0.309 nan 8.290 nan 0.000 0.530 626 F N -0.455 119.343 119.950 -0.254 0.000 2.588 626 F HA 0.587 5.113 4.527 -0.002 0.000 0.314 626 F C -1.237 174.390 175.800 -0.289 0.000 1.134 626 F CA -1.149 56.657 58.000 -0.322 0.000 0.961 626 F CB 2.000 40.730 39.000 -0.451 0.000 1.239 626 F HN -0.030 nan 8.300 nan 0.000 0.448 627 E N 5.267 124.997 120.200 -0.784 0.000 2.304 627 E HA 0.206 4.555 4.350 -0.002 0.000 0.277 627 E C -1.729 174.551 176.600 -0.533 0.000 0.898 627 E CA -0.741 55.399 56.400 -0.434 0.000 0.764 627 E CB 1.293 30.884 29.700 -0.182 0.000 1.216 627 E HN 0.714 nan 8.360 nan 0.000 0.419 628 W N 4.767 125.998 121.300 -0.115 0.000 2.223 628 W HA 0.087 4.747 4.660 -0.000 0.000 0.334 628 W C 1.055 177.581 176.519 0.012 0.000 1.334 628 W CA -0.329 57.030 57.345 0.025 0.000 1.246 628 W CB 0.599 30.165 29.460 0.176 0.000 1.184 628 W HN 0.565 nan 8.180 nan 0.000 0.563 629 L N 2.924 124.337 121.223 0.318 0.000 2.388 629 L HA 0.179 4.518 4.340 -0.002 0.000 0.209 629 L C 0.163 177.095 176.870 0.104 0.000 1.061 629 L CA 0.348 55.285 54.840 0.162 0.000 0.834 629 L CB -0.232 41.883 42.059 0.093 0.000 1.029 629 L HN 0.115 nan 8.230 nan 0.000 0.473 630 V N 0.371 120.390 119.914 0.175 0.000 2.501 630 V HA 0.149 4.268 4.120 -0.002 0.000 0.277 630 V C 0.297 176.484 176.094 0.155 0.000 1.004 630 V CA -0.102 62.272 62.300 0.123 0.000 0.862 630 V CB 2.329 34.190 31.823 0.064 0.000 1.035 630 V HN -0.086 nan 8.190 nan 0.000 0.448 631 V N 3.043 122.966 119.914 0.016 0.000 3.643 631 V HA 0.138 4.257 4.120 -0.002 0.000 0.280 631 V C 1.257 177.321 176.094 -0.049 0.000 1.351 631 V CA 1.363 63.473 62.300 -0.317 0.000 1.073 631 V CB 0.543 31.920 31.823 -0.743 0.000 0.863 631 V HN 0.991 nan 8.190 nan 0.000 0.436 632 D N -1.469 118.956 120.400 0.041 0.000 2.479 632 D HA 0.068 4.707 4.640 -0.002 0.000 0.218 632 D C 0.348 176.601 176.300 -0.078 0.000 1.177 632 D CA -0.197 53.800 54.000 -0.005 0.000 0.830 632 D CB -0.028 40.782 40.800 0.017 0.000 1.014 632 D HN 0.322 nan 8.370 nan 0.000 0.503 633 D N 1.676 122.059 120.400 -0.028 0.000 2.619 633 D HA 0.081 4.720 4.640 -0.002 0.000 0.224 633 D C 1.013 177.152 176.300 -0.269 0.000 1.133 633 D CA -0.062 53.920 54.000 -0.031 0.000 1.017 633 D CB 0.523 41.425 40.800 0.168 0.000 1.077 633 D HN 0.077 nan 8.370 nan 0.000 0.503 634 K N 1.068 121.196 120.400 -0.453 0.000 2.031 634 K HA -0.140 4.179 4.320 -0.002 0.000 0.205 634 K C 1.544 178.005 176.600 -0.232 0.000 1.049 634 K CA 0.895 56.847 56.287 -0.557 0.000 0.939 634 K CB 0.234 32.502 32.500 -0.388 0.000 0.717 634 K HN 0.179 nan 8.250 nan 0.000 0.438 635 E N 1.033 121.141 120.200 -0.153 0.000 2.095 635 E HA -0.221 4.128 4.350 -0.002 0.000 0.212 635 E C 1.719 178.286 176.600 -0.056 0.000 1.044 635 E CA 1.682 58.023 56.400 -0.099 0.000 0.857 635 E CB -0.196 29.475 29.700 -0.048 0.000 0.764 635 E HN 0.230 nan 8.360 nan 0.000 0.462 636 R N 0.121 120.622 120.500 0.000 0.000 2.317 636 R HA 0.225 4.564 4.340 -0.002 0.000 0.208 636 R C -0.171 176.173 176.300 0.073 0.000 0.914 636 R CA 0.395 56.523 56.100 0.047 0.000 1.060 636 R CB 0.223 30.589 30.300 0.111 0.000 1.015 636 R HN -0.013 nan 8.270 nan 0.000 0.498 637 S N 0.460 116.219 115.700 0.099 0.000 3.410 637 S HA -0.116 4.353 4.470 -0.002 0.000 0.369 637 S C -0.109 174.639 174.600 0.246 0.000 0.961 637 S CA 0.465 58.818 58.200 0.255 0.000 1.248 637 S CB -1.320 62.059 63.200 0.298 0.000 0.914 637 S HN 0.118 nan 8.310 nan 0.000 0.497 638 V N 1.774 121.793 119.914 0.175 0.000 2.459 638 V HA 0.676 4.795 4.120 -0.002 0.000 0.295 638 V C 0.002 176.197 176.094 0.170 0.000 1.029 638 V CA -0.686 61.647 62.300 0.055 0.000 0.874 638 V CB 1.682 33.384 31.823 -0.202 0.000 0.985 638 V HN 0.395 nan 8.190 nan 0.000 0.438 639 L N 6.200 127.544 121.223 0.202 0.000 2.408 639 L HA 0.692 5.031 4.340 -0.002 0.000 0.268 639 L C -0.640 176.442 176.870 0.353 0.000 0.986 639 L CA -0.104 54.961 54.840 0.375 0.000 0.820 639 L CB 2.043 44.441 42.059 0.565 0.000 1.303 639 L HN 0.447 nan 8.230 nan 0.000 0.411 640 I N 2.928 123.703 120.570 0.342 0.000 2.569 640 I HA 0.616 4.785 4.170 -0.002 0.000 0.290 640 I C -1.029 175.250 176.117 0.271 0.000 1.088 640 I CA -0.538 60.806 61.300 0.074 0.000 1.047 640 I CB 1.924 39.725 38.000 -0.333 0.000 1.237 640 I HN 0.551 nan 8.210 nan 0.000 0.421 641 F N 4.521 124.455 119.950 -0.028 0.000 2.754 641 F HA 0.868 5.395 4.527 -0.001 0.000 0.320 641 F C -1.751 173.803 175.800 -0.410 0.000 1.156 641 F CA -1.248 56.567 58.000 -0.308 0.000 0.950 641 F CB 1.266 39.800 39.000 -0.777 0.000 1.388 641 F HN 0.097 nan 8.300 nan 0.000 0.485 642 V N 1.995 121.746 119.914 -0.271 0.000 2.656 642 V HA 0.639 4.758 4.120 -0.002 0.000 0.307 642 V C -1.020 174.911 176.094 -0.273 0.000 1.051 642 V CA -0.708 61.430 62.300 -0.270 0.000 0.893 642 V CB 1.961 33.657 31.823 -0.212 0.000 0.999 642 V HN 0.743 nan 8.190 nan 0.000 0.426 643 R N 4.203 124.582 120.500 -0.202 0.000 2.460 643 R HA 0.605 4.944 4.340 -0.002 0.000 0.303 643 R C -0.525 175.668 176.300 -0.178 0.000 0.968 643 R CA -0.637 55.357 56.100 -0.177 0.000 0.889 643 R CB 1.617 31.823 30.300 -0.156 0.000 1.123 643 R HN 0.666 nan 8.270 nan 0.000 0.455 644 R N 1.627 122.013 120.500 -0.190 0.000 2.561 644 R HA 0.180 4.519 4.340 -0.002 0.000 0.297 644 R C -0.654 175.570 176.300 -0.127 0.000 0.969 644 R CA -0.573 55.406 56.100 -0.201 0.000 0.879 644 R CB 1.185 31.247 30.300 -0.396 0.000 1.178 644 R HN 0.701 nan 8.270 nan 0.000 0.445 645 D N 2.391 122.745 120.400 -0.077 0.000 2.466 645 D HA 0.093 4.732 4.640 -0.002 0.000 0.262 645 D C 0.369 176.712 176.300 0.072 0.000 1.177 645 D CA -0.468 53.508 54.000 -0.040 0.000 1.035 645 D CB 0.787 41.540 40.800 -0.078 0.000 1.105 645 D HN 0.358 nan 8.370 nan 0.000 0.551 646 K N -0.995 119.436 120.400 0.052 0.000 2.211 646 K HA -0.144 4.175 4.320 -0.002 0.000 0.204 646 K C 1.081 177.729 176.600 0.081 0.000 1.047 646 K CA 1.300 57.631 56.287 0.074 0.000 0.935 646 K CB 0.021 32.532 32.500 0.019 0.000 0.728 646 K HN 0.370 nan 8.250 nan 0.000 0.452 647 E N -1.148 119.086 120.200 0.057 0.000 2.489 647 E HA 0.062 4.411 4.350 -0.002 0.000 0.193 647 E C 0.812 177.456 176.600 0.074 0.000 1.057 647 E CA 0.503 56.928 56.400 0.042 0.000 0.866 647 E CB 0.729 30.433 29.700 0.008 0.000 0.916 647 E HN 0.418 nan 8.360 nan 0.000 0.500 648 G N 0.771 109.652 108.800 0.136 0.000 2.176 648 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.253 648 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.253 648 G C -0.080 174.833 174.900 0.021 0.000 0.979 648 G CA -0.001 45.173 45.100 0.124 0.000 0.641 648 G HN 0.378 nan 8.290 nan 0.000 0.530 649 N N 1.427 120.128 118.700 0.001 0.000 2.483 649 N HA 0.441 5.180 4.740 -0.002 0.000 0.264 649 N C -0.129 175.364 175.510 -0.029 0.000 1.197 649 N CA 0.366 53.403 53.050 -0.022 0.000 0.927 649 N CB 0.564 39.032 38.487 -0.032 0.000 1.065 649 N HN 0.511 nan 8.380 nan 0.000 0.461 650 E N 1.443 121.651 120.200 0.012 0.000 2.183 650 E HA 0.382 4.731 4.350 -0.002 0.000 0.271 650 E C -0.651 176.015 176.600 0.110 0.000 0.919 650 E CA -0.871 55.552 56.400 0.039 0.000 0.781 650 E CB 1.822 31.578 29.700 0.093 0.000 1.140 650 E HN 0.487 nan 8.360 nan 0.000 0.402 651 I N 0.632 121.208 120.570 0.010 0.000 2.460 651 I HA 0.434 4.603 4.170 -0.002 0.000 0.298 651 I C -0.929 175.153 176.117 -0.058 0.000 0.989 651 I CA -0.459 60.868 61.300 0.044 0.000 1.173 651 I CB 0.955 38.900 38.000 -0.092 0.000 1.338 651 I HN 0.457 nan 8.210 nan 0.000 0.456 652 I N 6.688 127.254 120.570 -0.006 0.000 2.365 652 I HA 0.414 4.583 4.170 -0.002 0.000 0.291 652 I C -0.745 175.229 176.117 -0.239 0.000 1.004 652 I CA -0.883 60.310 61.300 -0.178 0.000 1.311 652 I CB 1.588 39.457 38.000 -0.219 0.000 1.401 652 I HN 0.382 nan 8.210 nan 0.000 0.491 653 V N 5.695 125.317 119.914 -0.486 0.000 2.444 653 V HA 0.678 4.797 4.120 -0.002 0.000 0.294 653 V C -0.023 175.818 176.094 -0.422 0.000 1.022 653 V CA -0.547 61.429 62.300 -0.539 0.000 0.850 653 V CB 1.441 32.564 31.823 -1.167 0.000 0.992 653 V HN 0.825 nan 8.190 nan 0.000 0.426 654 A N 3.438 126.165 122.820 -0.155 0.000 2.343 654 A HA 0.867 5.186 4.320 -0.002 0.000 0.308 654 A C -0.287 177.271 177.584 -0.043 0.000 1.092 654 A CA -0.442 51.505 52.037 -0.149 0.000 0.751 654 A CB 1.590 20.441 19.000 -0.249 0.000 1.203 654 A HN 0.665 nan 8.150 nan 0.000 0.452 655 S N 1.452 117.146 115.700 -0.010 0.000 2.502 655 S HA 0.450 4.919 4.470 -0.002 0.000 0.304 655 S C -0.434 173.991 174.600 -0.293 0.000 1.097 655 S CA -0.686 57.420 58.200 -0.158 0.000 1.045 655 S CB 1.166 64.353 63.200 -0.022 0.000 1.019 655 S HN 0.768 nan 8.310 nan 0.000 0.481 656 N N 2.262 120.710 118.700 -0.420 0.000 2.518 656 N HA 0.345 5.084 4.740 -0.002 0.000 0.254 656 N C -1.107 174.194 175.510 -0.349 0.000 0.979 656 N CA -0.352 52.528 53.050 -0.284 0.000 0.930 656 N CB 0.392 38.761 38.487 -0.197 0.000 1.152 656 N HN 0.475 nan 8.380 nan 0.000 0.505 657 F N 1.999 121.963 119.950 0.023 0.000 2.819 657 F HA 0.148 4.673 4.527 -0.002 0.000 0.294 657 F C 0.963 176.772 175.800 0.016 0.000 1.166 657 F CA -0.262 57.762 58.000 0.040 0.000 1.374 657 F CB 0.513 39.586 39.000 0.122 0.000 0.956 657 F HN 0.294 nan 8.300 nan 0.000 0.509 658 T N -3.731 110.885 114.554 0.104 0.000 2.901 658 T HA 0.350 4.699 4.350 -0.002 0.000 0.293 658 T C -2.366 172.369 174.700 0.059 0.000 1.084 658 T CA -2.298 59.842 62.100 0.066 0.000 1.008 658 T CB 2.336 71.226 68.868 0.038 0.000 1.170 658 T HN -0.259 nan 8.240 nan 0.000 0.509 659 P HA 0.129 nan 4.420 nan 0.000 0.242 659 P C 0.131 177.466 177.300 0.057 0.000 1.197 659 P CA -0.010 63.148 63.100 0.097 0.000 0.765 659 P CB -0.224 31.530 31.700 0.090 0.000 0.936 660 V N 2.823 122.757 119.914 0.033 0.000 2.408 660 V HA 0.205 4.324 4.120 -0.002 0.000 0.267 660 V C -2.165 173.930 176.094 0.002 0.000 1.047 660 V CA -1.944 60.369 62.300 0.021 0.000 0.937 660 V CB 0.553 32.388 31.823 0.020 0.000 0.999 660 V HN -0.019 nan 8.190 nan 0.000 0.472 661 P HA 0.280 nan 4.420 nan 0.000 0.271 661 P C -0.603 176.608 177.300 -0.150 0.000 1.216 661 P CA -0.284 62.762 63.100 -0.090 0.000 0.771 661 P CB 0.510 32.173 31.700 -0.061 0.000 0.864 662 R N 2.999 123.371 120.500 -0.215 0.000 2.343 662 R HA 0.429 4.768 4.340 -0.002 0.000 0.320 662 R C 0.113 176.255 176.300 -0.262 0.000 0.956 662 R CA -0.409 55.619 56.100 -0.119 0.000 0.836 662 R CB 0.769 31.080 30.300 0.018 0.000 1.151 662 R HN 0.640 nan 8.270 nan 0.000 0.450 663 H N 1.338 120.480 119.070 0.119 0.000 2.533 663 H HA 0.184 4.739 4.556 -0.001 0.000 0.343 663 H C -0.104 175.306 175.328 0.137 0.000 1.160 663 H CA -0.438 55.678 56.048 0.113 0.000 1.218 663 H CB 1.552 31.359 29.762 0.075 0.000 1.566 663 H HN 0.481 nan 8.280 nan 0.000 0.522 664 D N 0.523 121.071 120.400 0.245 0.000 2.772 664 D HA -0.272 4.367 4.640 -0.002 0.000 0.233 664 D C -0.401 176.010 176.300 0.185 0.000 1.143 664 D CA 0.767 54.874 54.000 0.179 0.000 0.700 664 D CB -1.780 39.099 40.800 0.131 0.000 1.076 664 D HN 0.494 nan 8.370 nan 0.000 0.430 665 Y N 1.297 121.677 120.300 0.133 0.000 2.539 665 Y HA 0.190 4.739 4.550 -0.002 0.000 0.352 665 Y C 0.927 176.982 175.900 0.258 0.000 1.004 665 Y CA -0.472 57.728 58.100 0.167 0.000 1.278 665 Y CB 0.403 38.944 38.460 0.135 0.000 1.136 665 Y HN -0.015 nan 8.280 nan 0.000 0.528 666 R N 7.228 127.743 120.500 0.024 0.000 2.294 666 R HA 0.555 4.894 4.340 -0.002 0.000 0.319 666 R C -1.815 174.629 176.300 0.239 0.000 0.984 666 R CA -0.393 55.767 56.100 0.100 0.000 0.861 666 R CB 0.449 30.754 30.300 0.008 0.000 1.104 666 R HN 0.580 nan 8.270 nan 0.000 0.451 667 F N 0.718 120.712 119.950 0.073 0.000 2.601 667 F HA 0.679 5.205 4.527 -0.002 0.000 0.309 667 F C -0.017 175.792 175.800 0.015 0.000 1.089 667 F CA -1.420 56.596 58.000 0.027 0.000 0.940 667 F CB 1.089 40.034 39.000 -0.091 0.000 1.273 667 F HN 0.599 nan 8.300 nan 0.000 0.450 668 G N 2.064 110.933 108.800 0.114 0.000 2.491 668 G HA2 0.481 4.440 3.960 -0.002 0.000 0.242 668 G HA3 0.481 4.440 3.960 -0.002 0.000 0.242 668 G C -0.569 174.309 174.900 -0.037 0.000 1.266 668 G CA -0.527 44.591 45.100 0.030 0.000 0.844 668 G HN 1.019 nan 8.290 nan 0.000 0.571 669 I N -1.419 119.099 120.570 -0.087 0.000 3.294 669 I HA 0.520 4.689 4.170 -0.002 0.000 0.311 669 I C 0.005 176.115 176.117 -0.011 0.000 1.111 669 I CA -1.429 59.806 61.300 -0.109 0.000 0.976 669 I CB 2.172 39.991 38.000 -0.301 0.000 1.260 669 I HN 0.291 nan 8.210 nan 0.000 0.474 670 N N 0.084 118.783 118.700 -0.003 0.000 2.415 670 N HA 0.086 4.825 4.740 -0.002 0.000 0.174 670 N C -0.379 175.162 175.510 0.051 0.000 1.048 670 N CA 0.600 53.673 53.050 0.039 0.000 0.895 670 N CB 0.301 38.806 38.487 0.030 0.000 1.036 670 N HN 0.601 nan 8.380 nan 0.000 0.449 671 Q N 1.633 121.492 119.800 0.099 0.000 2.401 671 Q HA 0.356 4.695 4.340 -0.002 0.000 0.260 671 Q C -2.526 173.553 176.000 0.132 0.000 1.034 671 Q CA -1.843 54.032 55.803 0.119 0.000 0.737 671 Q CB 2.281 31.144 28.738 0.208 0.000 1.227 671 Q HN 0.092 nan 8.270 nan 0.000 0.488 672 P HA 0.163 nan 4.420 nan 0.000 0.267 672 P C 0.197 177.442 177.300 -0.091 0.000 1.200 672 P CA 0.540 63.523 63.100 -0.195 0.000 0.772 672 P CB 1.125 32.495 31.700 -0.550 0.000 0.855 673 G N 1.403 110.099 108.800 -0.173 0.000 2.334 673 G HA2 0.077 4.036 3.960 -0.002 0.000 0.249 673 G HA3 0.077 4.036 3.960 -0.002 0.000 0.249 673 G C -1.699 172.905 174.900 -0.492 0.000 1.327 673 G CA -0.752 44.129 45.100 -0.365 0.000 0.979 673 G HN 0.458 nan 8.290 nan 0.000 0.471 674 K N -0.282 119.902 120.400 -0.360 0.000 2.206 674 K HA 0.543 4.862 4.320 -0.002 0.000 0.264 674 K C -1.499 174.976 176.600 -0.209 0.000 0.967 674 K CA -0.320 55.870 56.287 -0.162 0.000 0.844 674 K CB 2.075 34.552 32.500 -0.038 0.000 1.099 674 K HN 0.407 nan 8.250 nan 0.000 0.441 675 W N 1.901 123.164 121.300 -0.062 0.000 2.666 675 W HA 0.450 5.109 4.660 -0.003 0.000 0.334 675 W C 0.042 176.567 176.519 0.009 0.000 1.051 675 W CA -0.685 56.644 57.345 -0.027 0.000 1.224 675 W CB 1.544 30.987 29.460 -0.027 0.000 1.405 675 W HN 0.399 nan 8.180 nan 0.000 0.513 676 R N 1.894 122.515 120.500 0.203 0.000 2.628 676 R HA 0.325 4.664 4.340 -0.002 0.000 0.288 676 R C -0.640 175.752 176.300 0.154 0.000 0.980 676 R CA -0.716 55.467 56.100 0.138 0.000 0.891 676 R CB 1.552 31.894 30.300 0.070 0.000 1.188 676 R HN 0.587 nan 8.270 nan 0.000 0.450 677 E N 3.624 123.903 120.200 0.131 0.000 2.414 677 E HA 0.015 4.364 4.350 -0.002 0.000 0.263 677 E C 0.744 177.407 176.600 0.104 0.000 1.000 677 E CA 0.315 56.787 56.400 0.121 0.000 0.914 677 E CB 0.710 30.462 29.700 0.086 0.000 0.948 677 E HN 0.589 nan 8.360 nan 0.000 0.444 678 I N 0.765 121.409 120.570 0.122 0.000 4.327 678 I HA 0.345 4.514 4.170 -0.002 0.000 0.331 678 I C -0.364 175.791 176.117 0.064 0.000 1.348 678 I CA -0.240 61.129 61.300 0.115 0.000 1.152 678 I CB 0.647 38.742 38.000 0.158 0.000 1.151 678 I HN 0.237 nan 8.210 nan 0.000 0.410 679 L N 1.243 122.476 121.223 0.017 0.000 2.545 679 L HA 0.535 4.874 4.340 -0.002 0.000 0.258 679 L C -1.841 174.962 176.870 -0.112 0.000 0.942 679 L CA -0.178 54.566 54.840 -0.160 0.000 0.855 679 L CB 2.273 43.959 42.059 -0.621 0.000 1.374 679 L HN 0.269 nan 8.230 nan 0.000 0.411 680 N N 0.922 119.590 118.700 -0.054 0.000 2.699 680 N HA 0.157 4.896 4.740 -0.002 0.000 0.271 680 N C 0.230 175.809 175.510 0.115 0.000 1.216 680 N CA 0.365 53.423 53.050 0.013 0.000 0.844 680 N CB 1.303 39.808 38.487 0.029 0.000 1.462 680 N HN 0.754 nan 8.380 nan 0.000 0.555 681 T N -0.621 113.950 114.554 0.028 0.000 3.113 681 T HA -0.073 4.276 4.350 -0.002 0.000 0.263 681 T C 0.933 175.731 174.700 0.163 0.000 1.143 681 T CA 1.000 63.129 62.100 0.048 0.000 1.090 681 T CB -0.062 68.761 68.868 -0.076 0.000 0.922 681 T HN 0.403 nan 8.240 nan 0.000 0.521 682 D N 1.348 121.829 120.400 0.135 0.000 2.328 682 D HA 0.178 4.817 4.640 -0.002 0.000 0.221 682 D C 0.688 177.073 176.300 0.141 0.000 1.072 682 D CA -0.088 54.006 54.000 0.157 0.000 0.850 682 D CB -0.038 40.850 40.800 0.146 0.000 0.922 682 D HN 0.423 nan 8.370 nan 0.000 0.516 683 S N 0.002 115.762 115.700 0.099 0.000 2.566 683 S HA -0.047 4.422 4.470 -0.002 0.000 0.280 683 S C 1.727 176.238 174.600 -0.147 0.000 1.343 683 S CA -0.406 57.723 58.200 -0.118 0.000 1.036 683 S CB 0.440 63.433 63.200 -0.344 0.000 0.866 683 S HN 0.329 nan 8.310 nan 0.000 0.526 684 M N 3.138 122.598 119.600 -0.232 0.000 2.279 684 M HA -0.086 4.393 4.480 -0.002 0.000 0.264 684 M C 1.075 177.225 176.300 -0.250 0.000 1.062 684 M CA 1.627 56.815 55.300 -0.186 0.000 1.099 684 M CB -0.737 31.758 32.600 -0.175 0.000 1.394 684 M HN 0.744 nan 8.290 nan 0.000 0.426 685 H N 0.188 119.012 119.070 -0.409 0.000 2.489 685 H HA -0.080 4.475 4.556 -0.002 0.000 0.293 685 H C 0.442 175.502 175.328 -0.446 0.000 1.066 685 H CA 1.301 57.045 56.048 -0.506 0.000 1.305 685 H CB -0.547 28.850 29.762 -0.608 0.000 1.386 685 H HN 0.638 nan 8.280 nan 0.000 0.551 686 Y N -1.288 119.043 120.300 0.051 0.000 2.584 686 Y HA 0.191 4.740 4.550 -0.001 0.000 0.254 686 Y C 0.247 176.272 175.900 0.207 0.000 1.177 686 Y CA -0.673 57.497 58.100 0.115 0.000 1.216 686 Y CB -0.460 38.054 38.460 0.090 0.000 1.172 686 Y HN 0.167 nan 8.280 nan 0.000 0.529 687 H N -1.614 117.560 119.070 0.173 0.000 2.903 687 H HA -0.104 4.451 4.556 -0.002 0.000 0.285 687 H C 1.189 176.704 175.328 0.311 0.000 1.231 687 H CA 0.333 56.475 56.048 0.157 0.000 1.135 687 H CB -1.117 28.646 29.762 0.001 0.000 1.328 687 H HN 0.543 nan 8.280 nan 0.000 0.388 688 G N -0.548 108.455 108.800 0.338 0.000 2.543 688 G HA2 0.366 4.325 3.960 -0.002 0.000 0.290 688 G HA3 0.366 4.325 3.960 -0.002 0.000 0.290 688 G C 1.034 176.214 174.900 0.468 0.000 1.310 688 G CA -0.155 45.209 45.100 0.440 0.000 1.025 688 G HN 0.445 nan 8.290 nan 0.000 0.502 689 S N -1.324 114.687 115.700 0.518 0.000 2.603 689 S HA -0.018 4.451 4.470 -0.002 0.000 0.220 689 S C 1.067 175.746 174.600 0.131 0.000 0.967 689 S CA 0.764 59.120 58.200 0.260 0.000 0.920 689 S CB -0.511 62.774 63.200 0.142 0.000 0.773 689 S HN 0.841 nan 8.310 nan 0.000 0.529 690 N N 0.437 119.204 118.700 0.112 0.000 2.754 690 N HA -0.176 4.563 4.740 -0.002 0.000 0.248 690 N C -0.044 175.486 175.510 0.032 0.000 1.093 690 N CA 0.331 53.395 53.050 0.023 0.000 0.699 690 N CB -1.374 37.096 38.487 -0.028 0.000 1.016 690 N HN 0.733 nan 8.380 nan 0.000 0.552 691 A N -0.001 122.858 122.820 0.065 0.000 2.279 691 A HA 0.855 5.174 4.320 -0.002 0.000 0.303 691 A C 0.931 178.544 177.584 0.049 0.000 1.108 691 A CA 0.631 52.707 52.037 0.064 0.000 0.830 691 A CB 1.595 20.642 19.000 0.078 0.000 1.106 691 A HN 0.669 nan 8.150 nan 0.000 0.493 692 G N 0.106 108.939 108.800 0.055 0.000 2.333 692 G HA2 0.362 4.321 3.960 -0.002 0.000 0.288 692 G HA3 0.362 4.321 3.960 -0.002 0.000 0.288 692 G C -1.551 173.390 174.900 0.068 0.000 1.286 692 G CA -0.954 44.175 45.100 0.050 0.000 0.865 692 G HN 0.804 nan 8.290 nan 0.000 0.506 693 N N 0.111 118.853 118.700 0.070 0.000 2.438 693 N HA 0.487 5.226 4.740 -0.002 0.000 0.282 693 N C 1.393 176.945 175.510 0.070 0.000 1.037 693 N CA 0.418 53.518 53.050 0.084 0.000 0.942 693 N CB 1.788 40.335 38.487 0.099 0.000 1.136 693 N HN 0.967 nan 8.380 nan 0.000 0.481 694 G N 2.057 110.899 108.800 0.070 0.000 3.665 694 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.251 694 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.251 694 G C 0.848 175.777 174.900 0.048 0.000 0.940 694 G CA 1.573 46.706 45.100 0.055 0.000 0.741 694 G HN 0.732 nan 8.290 nan 0.000 1.302 695 G N -3.560 105.273 108.800 0.056 0.000 2.818 695 G HA2 0.436 4.395 3.960 -0.002 0.000 0.170 695 G HA3 0.436 4.395 3.960 -0.002 0.000 0.170 695 G C -0.053 174.888 174.900 0.068 0.000 1.345 695 G CA 1.138 46.269 45.100 0.052 0.000 0.861 695 G HN 1.004 nan 8.290 nan 0.000 0.936 696 T N 0.431 115.034 114.554 0.083 0.000 3.579 696 T HA 0.418 4.767 4.350 -0.002 0.000 0.360 696 T C -1.446 173.328 174.700 0.123 0.000 1.285 696 T CA -0.349 61.812 62.100 0.101 0.000 1.127 696 T CB 2.320 71.238 68.868 0.082 0.000 1.244 696 T HN 0.185 nan 8.240 nan 0.000 0.476 697 V N 3.908 123.917 119.914 0.158 0.000 2.409 697 V HA 0.402 4.521 4.120 -0.002 0.000 0.291 697 V C 0.128 176.343 176.094 0.202 0.000 1.020 697 V CA -0.878 61.520 62.300 0.164 0.000 0.848 697 V CB 1.352 33.257 31.823 0.138 0.000 0.990 697 V HN 0.856 nan 8.190 nan 0.000 0.430 698 H N 3.186 122.325 119.070 0.114 0.000 2.652 698 H HA 0.294 4.849 4.556 -0.001 0.000 0.349 698 H C 0.560 175.952 175.328 0.107 0.000 1.099 698 H CA 0.228 56.348 56.048 0.120 0.000 1.417 698 H CB 1.692 31.500 29.762 0.077 0.000 1.457 698 H HN 0.799 nan 8.280 nan 0.000 0.568 699 S N 3.827 119.540 115.700 0.021 0.000 2.608 699 S HA 0.151 4.620 4.470 -0.002 0.000 0.261 699 S C -0.316 174.420 174.600 0.227 0.000 1.314 699 S CA -0.809 57.436 58.200 0.075 0.000 0.992 699 S CB 1.201 64.407 63.200 0.010 0.000 0.935 699 S HN 0.603 nan 8.310 nan 0.000 0.564 700 D N 0.095 120.583 120.400 0.145 0.000 2.457 700 D HA 0.223 4.862 4.640 -0.002 0.000 0.240 700 D C -0.719 175.674 176.300 0.154 0.000 1.041 700 D CA -0.456 53.633 54.000 0.148 0.000 0.861 700 D CB 1.470 42.311 40.800 0.068 0.000 1.394 700 D HN 0.822 nan 8.370 nan 0.000 0.473 701 E N 1.757 122.025 120.200 0.112 0.000 2.148 701 E HA 0.198 4.547 4.350 -0.002 0.000 0.308 701 E C -0.679 175.857 176.600 -0.106 0.000 1.278 701 E CA -0.057 56.271 56.400 -0.120 0.000 1.368 701 E CB -0.279 29.337 29.700 -0.141 0.000 1.229 701 E HN 0.332 nan 8.360 nan 0.000 0.494 702 I N 2.706 123.233 120.570 -0.072 0.000 2.410 702 I HA 0.320 4.490 4.170 -0.002 0.000 0.286 702 I C 0.258 176.343 176.117 -0.054 0.000 1.009 702 I CA -0.974 60.294 61.300 -0.053 0.000 1.111 702 I CB 1.631 39.617 38.000 -0.023 0.000 1.262 702 I HN 0.325 nan 8.210 nan 0.000 0.443 703 A N 4.626 127.411 122.820 -0.057 0.000 2.561 703 A HA 0.405 4.724 4.320 -0.002 0.000 0.234 703 A C 0.209 177.790 177.584 -0.004 0.000 1.055 703 A CA 0.446 52.463 52.037 -0.034 0.000 0.756 703 A CB 0.400 19.381 19.000 -0.032 0.000 0.986 703 A HN 0.673 nan 8.150 nan 0.000 0.505 704 S N 0.881 116.604 115.700 0.038 0.000 2.582 704 S HA 0.454 4.923 4.470 -0.002 0.000 0.287 704 S C -0.347 174.378 174.600 0.210 0.000 1.146 704 S CA -0.437 57.819 58.200 0.093 0.000 0.941 704 S CB 0.154 63.450 63.200 0.160 0.000 1.115 704 S HN 1.111 nan 8.310 nan 0.000 0.458 705 H N 2.623 121.717 119.070 0.041 0.000 2.791 705 H HA -0.209 4.346 4.556 -0.001 0.000 0.302 705 H C 1.265 176.629 175.328 0.060 0.000 1.198 705 H CA 1.308 57.394 56.048 0.064 0.000 1.145 705 H CB -1.526 28.301 29.762 0.108 0.000 1.385 705 H HN 1.744 nan 8.280 nan 0.000 0.409 706 G N -0.084 108.777 108.800 0.102 0.000 2.189 706 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.267 706 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.267 706 G C 0.498 175.450 174.900 0.086 0.000 0.975 706 G CA 0.919 46.068 45.100 0.082 0.000 0.644 706 G HN 0.569 nan 8.290 nan 0.000 0.537 707 R N -0.540 120.024 120.500 0.106 0.000 2.674 707 R HA 0.582 4.921 4.340 -0.002 0.000 0.266 707 R C 1.272 177.607 176.300 0.058 0.000 1.016 707 R CA -0.046 56.108 56.100 0.090 0.000 1.062 707 R CB 0.809 31.172 30.300 0.104 0.000 1.142 707 R HN 0.288 nan 8.270 nan 0.000 0.517 708 Q N 0.278 120.111 119.800 0.054 0.000 2.259 708 Q HA 0.000 4.339 4.340 -0.002 0.000 0.201 708 Q C -0.260 175.647 176.000 -0.155 0.000 0.938 708 Q CA 1.022 56.804 55.803 -0.035 0.000 0.872 708 Q CB 0.428 29.157 28.738 -0.014 0.000 0.971 708 Q HN 0.563 nan 8.270 nan 0.000 0.494 709 H N -0.534 118.539 119.070 0.005 0.000 2.676 709 H HA 0.550 5.105 4.556 -0.002 0.000 0.352 709 H C -0.819 174.470 175.328 -0.065 0.000 1.193 709 H CA -0.027 56.011 56.048 -0.016 0.000 1.243 709 H CB 2.013 31.771 29.762 -0.007 0.000 1.751 709 H HN 0.213 nan 8.280 nan 0.000 0.567 710 S N 0.187 115.906 115.700 0.032 0.000 2.596 710 S HA 0.582 5.051 4.470 -0.002 0.000 0.270 710 S C -1.612 172.834 174.600 -0.257 0.000 1.155 710 S CA -1.056 57.051 58.200 -0.154 0.000 0.827 710 S CB 1.286 64.428 63.200 -0.098 0.000 1.130 710 S HN 0.422 nan 8.310 nan 0.000 0.467 711 L N 1.381 122.273 121.223 -0.551 0.000 2.365 711 L HA 0.713 5.052 4.340 -0.002 0.000 0.273 711 L C -0.445 176.217 176.870 -0.347 0.000 1.000 711 L CA -0.582 53.959 54.840 -0.498 0.000 0.819 711 L CB 2.233 43.827 42.059 -0.775 0.000 1.284 711 L HN 0.856 nan 8.230 nan 0.000 0.418 712 S N 4.120 119.765 115.700 -0.091 0.000 2.498 712 S HA 0.719 5.188 4.470 -0.002 0.000 0.324 712 S C -0.763 173.911 174.600 0.123 0.000 1.071 712 S CA -0.467 57.763 58.200 0.050 0.000 1.113 712 S CB 0.240 63.472 63.200 0.052 0.000 0.976 712 S HN 0.427 nan 8.310 nan 0.000 0.462 713 L N 2.747 124.110 121.223 0.233 0.000 2.309 713 L HA 0.583 4.922 4.340 -0.002 0.000 0.261 713 L C 0.116 177.107 176.870 0.202 0.000 1.021 713 L CA -0.983 53.989 54.840 0.221 0.000 0.823 713 L CB 2.354 44.579 42.059 0.276 0.000 1.366 713 L HN 0.393 nan 8.230 nan 0.000 0.423 714 T N 2.426 117.064 114.554 0.140 0.000 2.771 714 T HA 0.530 4.879 4.350 -0.002 0.000 0.291 714 T C -0.357 174.346 174.700 0.006 0.000 0.954 714 T CA -0.255 61.883 62.100 0.062 0.000 1.045 714 T CB 0.306 69.231 68.868 0.095 0.000 0.917 714 T HN 0.216 nan 8.240 nan 0.000 0.484 715 L N 6.871 128.050 121.223 -0.073 0.000 2.294 715 L HA 0.381 4.720 4.340 -0.002 0.000 0.283 715 L C -2.235 174.567 176.870 -0.114 0.000 1.015 715 L CA -2.363 52.413 54.840 -0.107 0.000 0.831 715 L CB 1.352 43.293 42.059 -0.197 0.000 1.217 715 L HN 0.350 nan 8.230 nan 0.000 0.420 716 P HA 0.090 nan 4.420 nan 0.000 0.269 716 P C -2.477 174.818 177.300 -0.009 0.000 1.215 716 P CA -1.099 61.990 63.100 -0.019 0.000 0.780 716 P CB -0.274 31.445 31.700 0.032 0.000 0.898 717 P HA 0.055 nan 4.420 nan 0.000 0.271 717 P C 0.142 177.518 177.300 0.127 0.000 1.216 717 P CA 0.131 63.288 63.100 0.095 0.000 0.771 717 P CB 0.271 32.068 31.700 0.162 0.000 0.864 718 L N -0.524 120.731 121.223 0.054 0.000 3.879 718 L HA -0.229 4.110 4.340 -0.002 0.000 0.481 718 L C 0.184 177.013 176.870 -0.069 0.000 1.232 718 L CA 0.611 55.452 54.840 0.001 0.000 0.736 718 L CB -1.889 40.206 42.059 0.061 0.000 1.511 718 L HN 0.658 nan 8.230 nan 0.000 0.830 719 A N -0.291 122.444 122.820 -0.142 0.000 2.612 719 A HA 0.843 5.162 4.320 -0.002 0.000 0.293 719 A C -0.254 177.235 177.584 -0.159 0.000 1.075 719 A CA 0.179 52.147 52.037 -0.115 0.000 0.680 719 A CB 2.053 21.038 19.000 -0.026 0.000 1.279 719 A HN 0.232 nan 8.150 nan 0.000 0.411 720 T N 0.060 114.573 114.554 -0.067 0.000 2.863 720 T HA 0.739 5.088 4.350 -0.002 0.000 0.285 720 T C -0.485 174.234 174.700 0.031 0.000 1.009 720 T CA -0.337 61.771 62.100 0.013 0.000 0.989 720 T CB 0.551 69.526 68.868 0.179 0.000 1.004 720 T HN 1.552 nan 8.240 nan 0.000 0.455 721 I N 0.129 120.753 120.570 0.089 0.000 2.689 721 I HA 0.826 4.995 4.170 -0.002 0.000 0.299 721 I C -1.562 174.751 176.117 0.327 0.000 1.059 721 I CA -1.203 60.156 61.300 0.097 0.000 1.055 721 I CB 1.906 39.944 38.000 0.063 0.000 1.243 721 I HN 0.533 nan 8.210 nan 0.000 0.425 722 W N 5.221 126.522 121.300 0.002 0.000 2.606 722 W HA 0.700 5.360 4.660 -0.000 0.000 0.332 722 W C -1.065 175.468 176.519 0.024 0.000 1.052 722 W CA -1.093 56.243 57.345 -0.014 0.000 1.223 722 W CB 1.558 31.014 29.460 -0.007 0.000 1.383 722 W HN 0.212 nan 8.180 nan 0.000 0.524 723 L N 3.162 124.544 121.223 0.266 0.000 2.386 723 L HA 0.581 4.920 4.340 -0.002 0.000 0.271 723 L C -0.347 176.746 176.870 0.371 0.000 0.993 723 L CA -1.012 54.009 54.840 0.301 0.000 0.819 723 L CB 1.305 43.547 42.059 0.306 0.000 1.294 723 L HN 0.183 nan 8.230 nan 0.000 0.414 724 V N 4.035 124.113 119.914 0.274 0.000 2.919 724 V HA 0.568 4.687 4.120 -0.002 0.000 0.316 724 V C -0.105 175.805 176.094 -0.306 0.000 1.077 724 V CA -0.818 61.508 62.300 0.044 0.000 0.977 724 V CB 2.791 34.570 31.823 -0.072 0.000 1.039 724 V HN 0.866 nan 8.190 nan 0.000 0.441 725 R N 3.178 123.153 120.500 -0.875 0.000 2.297 725 R HA 0.386 4.725 4.340 -0.002 0.000 0.308 725 R C -0.289 175.656 176.300 -0.590 0.000 1.029 725 R CA -0.363 54.947 56.100 -1.317 0.000 0.929 725 R CB 0.846 30.239 30.300 -1.511 0.000 1.046 725 R HN 0.789 nan 8.270 nan 0.000 0.461 726 E N 1.889 121.804 120.200 -0.474 0.000 2.283 726 E HA 0.199 4.548 4.350 -0.002 0.000 0.278 726 E C -0.650 175.826 176.600 -0.207 0.000 1.027 726 E CA -0.509 55.746 56.400 -0.241 0.000 0.843 726 E CB 1.475 31.082 29.700 -0.156 0.000 1.062 726 E HN 0.651 nan 8.360 nan 0.000 0.401 727 A N 4.744 127.484 122.820 -0.133 0.000 2.515 727 A HA -0.004 4.315 4.320 -0.002 0.000 0.263 727 A C 0.520 178.058 177.584 -0.076 0.000 1.096 727 A CA -0.231 51.747 52.037 -0.099 0.000 0.769 727 A CB 0.082 19.043 19.000 -0.064 0.000 1.040 727 A HN 0.561 nan 8.150 nan 0.000 0.505 728 E N 0.000 120.158 120.200 -0.071 0.000 2.725 728 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 728 E CA 0.000 56.377 56.400 -0.039 0.000 0.976 728 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440