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 2vrq_1_C DATA FIRST_RESID 4 DATA SEQUENCE ASRVVVNADR VKGTINRNIY GHFSEHLGRC IYEGLWVGED SPIPNTNGIR DATA SEQUENCE NDVLEALKQM KIPVLRWPGG cFADEYHWKD GVGPREKRKR MVNTHWGGVI DATA SEQUENCE ENNHFGTHEF MMLCELLGCE PYISGNVGSG TVQEMSEWVE YITFDGESPM DATA SEQUENCE ANWRRENGRE KPWRIKYWGV GNQNWGcGGN MRAEYYADLY RQFQTYLRNY DATA SEQUENCE GDNKLHKIAC GANTADYHWT EVLMKQAAPF MHGLSLHYYT VPGPWEKKGP DATA SEQUENCE ATGFTTDEWW VTLKKALFMD RLVTKHSAIM DVYDPDKRID LIVDEWGTWY DATA SEQUENCE DVEPGTNPGF LYQQNSIRDA LVAGATLHIF HRHCDRVRMA NIAQLVNVLQ DATA SEQUENCE SVILTEGERM LLTPTYHVFN MFKVHQDAEL LDTWESVERT GPEGELPKVS DATA SEQUENCE VSASRAADGK IHISLCNLDF ETGASVDIEL RGLNGGVSAT GTTLTSGRID DATA SEQUENCE GHNTFDEPER VKPAPFRDFK LEGGHLNASL PPMSVTVLEL TAG 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.617 177.584 0.055 0.000 1.274 4 A CA 0.000 52.068 52.037 0.052 0.000 0.836 4 A CB 0.000 19.034 19.000 0.056 0.000 0.831 5 S N 0.625 116.362 115.700 0.061 0.000 2.576 5 S HA 0.507 4.977 4.470 -0.000 0.000 0.276 5 S C 0.358 174.999 174.600 0.068 0.000 1.339 5 S CA -0.071 58.166 58.200 0.062 0.000 1.039 5 S CB 0.610 63.848 63.200 0.064 0.000 0.902 5 S HN 0.679 nan 8.310 nan 0.000 0.516 6 R N 1.640 122.182 120.500 0.070 0.000 2.534 6 R HA 0.657 4.997 4.340 -0.000 0.000 0.301 6 R C -1.894 174.454 176.300 0.080 0.000 0.961 6 R CA -0.454 55.695 56.100 0.081 0.000 0.871 6 R CB 1.032 31.385 30.300 0.088 0.000 1.170 6 R HN 0.472 nan 8.270 nan 0.000 0.446 7 V N 4.465 124.420 119.914 0.069 0.000 2.709 7 V HA 0.432 4.552 4.120 -0.000 0.000 0.308 7 V C -0.770 175.331 176.094 0.011 0.000 1.062 7 V CA -0.846 61.480 62.300 0.043 0.000 0.901 7 V CB 2.145 33.974 31.823 0.009 0.000 1.003 7 V HN 0.501 nan 8.190 nan 0.000 0.425 8 V N 4.825 124.732 119.914 -0.012 0.000 2.384 8 V HA 0.471 4.591 4.120 -0.000 0.000 0.287 8 V C -0.261 175.641 176.094 -0.319 0.000 1.020 8 V CA -0.623 61.591 62.300 -0.143 0.000 0.850 8 V CB 1.877 33.646 31.823 -0.089 0.000 0.987 8 V HN 0.611 nan 8.190 nan 0.000 0.436 9 V N 4.981 124.719 119.914 -0.294 0.000 2.350 9 V HA 0.360 4.480 4.120 -0.000 0.000 0.276 9 V C 0.233 176.113 176.094 -0.358 0.000 1.028 9 V CA -0.710 61.406 62.300 -0.306 0.000 0.860 9 V CB 1.390 33.094 31.823 -0.198 0.000 0.990 9 V HN 0.823 nan 8.190 nan 0.000 0.453 10 N N 4.242 122.680 118.700 -0.438 0.000 2.719 10 N HA 0.224 4.964 4.740 -0.000 0.000 0.243 10 N C 1.082 176.461 175.510 -0.218 0.000 1.104 10 N CA 0.046 52.879 53.050 -0.361 0.000 0.981 10 N CB 1.817 40.038 38.487 -0.443 0.000 1.290 10 N HN 0.812 nan 8.380 nan 0.000 0.513 11 A N 1.382 124.099 122.820 -0.172 0.000 2.178 11 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 11 A C 1.281 178.808 177.584 -0.095 0.000 1.157 11 A CA 1.013 52.975 52.037 -0.124 0.000 0.689 11 A CB -0.005 18.929 19.000 -0.109 0.000 0.787 11 A HN 0.585 nan 8.150 nan 0.000 0.465 12 D N -1.796 118.549 120.400 -0.092 0.000 2.402 12 D HA 0.136 4.776 4.640 -0.000 0.000 0.216 12 D C 0.394 176.662 176.300 -0.054 0.000 1.128 12 D CA -0.236 53.727 54.000 -0.062 0.000 0.833 12 D CB -0.048 40.723 40.800 -0.049 0.000 0.971 12 D HN 0.164 nan 8.370 nan 0.000 0.503 13 R N 0.938 121.396 120.500 -0.071 0.000 2.358 13 R HA 0.382 4.721 4.340 -0.000 0.000 0.309 13 R C -1.611 174.657 176.300 -0.052 0.000 1.026 13 R CA -0.592 55.477 56.100 -0.052 0.000 0.909 13 R CB 0.808 31.075 30.300 -0.055 0.000 1.153 13 R HN -0.182 nan 8.270 nan 0.000 0.515 14 V N 5.874 125.767 119.914 -0.035 0.000 2.498 14 V HA 0.255 4.374 4.120 -0.000 0.000 0.279 14 V C 0.627 176.707 176.094 -0.022 0.000 1.048 14 V CA -0.347 61.933 62.300 -0.032 0.000 0.967 14 V CB 1.687 33.496 31.823 -0.024 0.000 0.988 14 V HN 0.671 nan 8.190 nan 0.000 0.473 15 K N 3.126 123.510 120.400 -0.027 0.000 2.358 15 K HA 0.427 4.747 4.320 -0.000 0.000 0.197 15 K C 0.623 177.216 176.600 -0.013 0.000 1.025 15 K CA 0.616 56.892 56.287 -0.017 0.000 1.104 15 K CB 0.960 33.446 32.500 -0.024 0.000 0.855 15 K HN 0.953 nan 8.250 nan 0.000 0.531 16 G N -0.036 108.756 108.800 -0.014 0.000 2.357 16 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.289 16 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.289 16 G C -1.410 173.483 174.900 -0.012 0.000 1.302 16 G CA -0.941 44.155 45.100 -0.006 0.000 0.936 16 G HN -0.106 nan 8.290 nan 0.000 0.513 17 T N 0.879 115.431 114.554 -0.002 0.000 2.807 17 T HA 0.569 4.919 4.350 -0.000 0.000 0.279 17 T C 0.488 175.186 174.700 -0.002 0.000 0.993 17 T CA -0.289 61.808 62.100 -0.004 0.000 0.970 17 T CB 1.198 70.071 68.868 0.009 0.000 0.950 17 T HN 0.542 nan 8.240 nan 0.000 0.441 18 I N 3.968 124.524 120.570 -0.024 0.000 2.372 18 I HA 0.086 4.256 4.170 -0.000 0.000 0.298 18 I C 1.033 177.185 176.117 0.057 0.000 1.137 18 I CA -0.498 60.797 61.300 -0.008 0.000 1.314 18 I CB -0.089 37.837 38.000 -0.124 0.000 1.444 18 I HN 0.529 nan 8.210 nan 0.000 0.541 19 N N 6.549 125.289 118.700 0.067 0.000 2.359 19 N HA -0.081 4.659 4.740 -0.000 0.000 0.261 19 N C 1.490 177.081 175.510 0.134 0.000 1.267 19 N CA 0.212 53.305 53.050 0.072 0.000 0.864 19 N CB 0.811 39.321 38.487 0.039 0.000 1.063 19 N HN 0.593 nan 8.380 nan 0.000 0.474 20 R N 3.312 123.886 120.500 0.124 0.000 2.159 20 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 20 R C 0.580 177.023 176.300 0.238 0.000 1.131 20 R CA 1.142 57.350 56.100 0.180 0.000 0.982 20 R CB -0.275 30.090 30.300 0.108 0.000 0.868 20 R HN 0.439 nan 8.270 nan 0.000 0.453 21 N N 1.137 119.912 118.700 0.125 0.000 2.585 21 N HA -0.058 4.682 4.740 -0.000 0.000 0.188 21 N C 1.518 177.068 175.510 0.067 0.000 1.102 21 N CA 0.786 53.872 53.050 0.060 0.000 0.920 21 N CB -0.126 38.294 38.487 -0.111 0.000 0.963 21 N HN 0.386 nan 8.380 nan 0.000 0.447 22 I N -0.493 120.154 120.570 0.129 0.000 2.614 22 I HA -0.228 3.942 4.170 -0.000 0.000 0.258 22 I C 0.478 176.604 176.117 0.015 0.000 1.189 22 I CA 0.941 62.251 61.300 0.016 0.000 1.462 22 I CB -0.086 37.963 38.000 0.082 0.000 1.092 22 I HN 0.083 nan 8.210 nan 0.000 0.442 23 Y N 0.865 121.308 120.300 0.239 0.000 2.645 23 Y HA 0.283 4.833 4.550 -0.000 0.000 0.307 23 Y C 1.442 177.531 175.900 0.315 0.000 1.151 23 Y CA -0.640 57.695 58.100 0.392 0.000 1.291 23 Y CB -0.341 38.349 38.460 0.383 0.000 1.135 23 Y HN -0.024 nan 8.280 nan 0.000 0.523 24 G N -0.414 108.525 108.800 0.231 0.000 2.606 24 G HA2 0.215 4.175 3.960 -0.000 0.000 0.252 24 G HA3 0.215 4.175 3.960 -0.000 0.000 0.252 24 G C -0.458 174.358 174.900 -0.139 0.000 1.206 24 G CA -0.164 45.018 45.100 0.136 0.000 0.861 24 G HN 0.338 nan 8.290 nan 0.000 0.561 25 H N -1.247 117.888 119.070 0.108 0.000 2.908 25 H HA 0.538 5.094 4.556 -0.000 0.000 0.350 25 H C -1.647 173.766 175.328 0.142 0.000 1.217 25 H CA -0.399 55.671 56.048 0.037 0.000 1.168 25 H CB 2.469 32.201 29.762 -0.050 0.000 1.891 25 H HN 0.371 nan 8.280 nan 0.000 0.566 26 F N 1.790 121.750 119.950 0.017 0.000 2.607 26 F HA 0.325 4.852 4.527 -0.000 0.000 0.322 26 F C -1.277 174.485 175.800 -0.063 0.000 1.176 26 F CA -1.074 56.893 58.000 -0.054 0.000 0.977 26 F CB 1.460 40.376 39.000 -0.140 0.000 1.242 26 F HN 0.380 nan 8.300 nan 0.000 0.465 27 S N 4.516 120.195 115.700 -0.035 0.000 2.659 27 S HA 0.568 5.038 4.470 -0.000 0.000 0.312 27 S C -0.974 173.476 174.600 -0.249 0.000 1.114 27 S CA -0.724 57.312 58.200 -0.273 0.000 1.063 27 S CB 1.828 64.974 63.200 -0.090 0.000 0.996 27 S HN 0.819 nan 8.310 nan 0.000 0.478 28 E N 1.739 121.634 120.200 -0.509 0.000 2.212 28 E HA 0.226 4.576 4.350 -0.000 0.000 0.270 28 E C -0.632 175.747 176.600 -0.368 0.000 0.956 28 E CA -0.835 55.365 56.400 -0.333 0.000 0.825 28 E CB 0.864 30.351 29.700 -0.355 0.000 1.167 28 E HN 0.792 nan 8.360 nan 0.000 0.400 29 H N 3.837 122.498 119.070 -0.682 0.000 3.356 29 H HA 0.190 4.745 4.556 -0.000 0.000 0.260 29 H C -0.517 174.439 175.328 -0.620 0.000 1.570 29 H CA 0.148 55.696 56.048 -0.834 0.000 1.547 29 H CB -0.215 28.567 29.762 -1.632 0.000 1.774 29 H HN 0.249 nan 8.280 nan 0.000 0.542 30 L N 1.580 122.561 121.223 -0.402 0.000 2.549 30 L HA 0.405 4.745 4.340 -0.000 0.000 0.259 30 L C 0.630 177.205 176.870 -0.491 0.000 0.934 30 L CA -0.134 54.490 54.840 -0.360 0.000 0.865 30 L CB 1.512 43.398 42.059 -0.288 0.000 1.352 30 L HN 0.712 nan 8.230 nan 0.000 0.410 31 G N 3.817 112.139 108.800 -0.796 0.000 2.652 31 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.318 31 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.318 31 G C 0.371 174.838 174.900 -0.721 0.000 1.295 31 G CA 0.742 45.042 45.100 -1.333 0.000 0.999 31 G HN 0.764 nan 8.290 nan 0.000 0.548 32 R N -0.488 119.795 120.500 -0.363 0.000 2.609 32 R HA 0.350 4.689 4.340 -0.000 0.000 0.326 32 R C 1.898 178.080 176.300 -0.196 0.000 1.090 32 R CA 0.297 56.289 56.100 -0.180 0.000 1.072 32 R CB -0.374 29.897 30.300 -0.048 0.000 1.330 32 R HN 0.505 nan 8.270 nan 0.000 0.572 33 C N 0.193 119.320 119.300 -0.288 0.000 2.489 33 C HA 0.008 4.468 4.460 -0.000 0.000 0.279 33 C C 2.210 176.967 174.990 -0.388 0.000 1.266 33 C CA 0.517 59.347 59.018 -0.314 0.000 1.707 33 C CB -0.234 27.282 27.740 -0.373 0.000 2.059 33 C HN 0.436 nan 8.230 nan 0.000 0.481 34 I N -0.721 119.521 120.570 -0.546 0.000 2.364 34 I HA 0.098 4.268 4.170 -0.000 0.000 0.241 34 I C 0.422 176.109 176.117 -0.715 0.000 1.082 34 I CA 0.842 61.638 61.300 -0.840 0.000 1.401 34 I CB -1.547 35.630 38.000 -1.373 0.000 1.126 34 I HN 0.228 nan 8.210 nan 0.000 0.429 35 Y N 1.895 122.024 120.300 -0.285 0.000 2.393 35 Y HA 0.177 4.727 4.550 -0.000 0.000 0.338 35 Y C 1.432 177.272 175.900 -0.100 0.000 1.029 35 Y CA 0.221 58.257 58.100 -0.107 0.000 1.239 35 Y CB 0.442 38.859 38.460 -0.072 0.000 1.170 35 Y HN 0.221 nan 8.280 nan 0.000 0.515 36 E N 1.294 121.534 120.200 0.066 0.000 4.666 36 E HA -0.280 4.070 4.350 -0.000 0.000 0.159 36 E C 1.772 178.330 176.600 -0.070 0.000 1.083 36 E CA 1.052 57.443 56.400 -0.015 0.000 2.496 36 E CB -1.437 28.254 29.700 -0.016 0.000 1.689 36 E HN 0.939 nan 8.360 nan 0.000 0.531 37 G N 0.300 109.037 108.800 -0.105 0.000 2.432 37 G HA2 0.024 3.984 3.960 -0.000 0.000 0.219 37 G HA3 0.024 3.984 3.960 -0.000 0.000 0.219 37 G C 1.452 176.267 174.900 -0.140 0.000 1.135 37 G CA 1.356 46.383 45.100 -0.123 0.000 0.767 37 G HN 0.282 nan 8.290 nan 0.000 0.550 38 L N -3.077 118.041 121.223 -0.175 0.000 2.678 38 L HA 0.360 4.700 4.340 -0.000 0.000 0.187 38 L C 0.611 177.446 176.870 -0.058 0.000 1.073 38 L CA -0.553 54.197 54.840 -0.150 0.000 0.883 38 L CB 0.333 42.236 42.059 -0.261 0.000 1.501 38 L HN 0.185 nan 8.230 nan 0.000 0.488 39 W N 2.512 123.644 121.300 -0.280 0.000 2.358 39 W HA 0.371 5.031 4.660 -0.000 0.000 0.307 39 W C 0.424 176.954 176.519 0.017 0.000 1.203 39 W CA -0.146 57.148 57.345 -0.086 0.000 1.279 39 W CB 1.507 30.915 29.460 -0.086 0.000 1.264 39 W HN -0.023 nan 8.180 nan 0.000 0.474 40 V N 3.715 123.308 119.914 -0.536 0.000 3.570 40 V HA 0.512 4.631 4.120 -0.000 0.000 0.257 40 V C 0.684 176.481 176.094 -0.494 0.000 1.272 40 V CA 0.693 62.775 62.300 -0.364 0.000 1.079 40 V CB -0.277 31.405 31.823 -0.234 0.000 0.829 40 V HN 0.906 nan 8.190 nan 0.000 0.454 41 G N 0.664 108.823 108.800 -1.067 0.000 2.650 41 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.686 41 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.686 41 G C -0.086 174.577 174.900 -0.395 0.000 1.205 41 G CA 0.059 44.796 45.100 -0.604 0.000 0.781 41 G HN 0.304 nan 8.290 nan 0.000 0.648 42 E N 0.058 120.144 120.200 -0.190 0.000 2.085 42 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 42 E C 0.976 177.531 176.600 -0.075 0.000 0.994 42 E CA 1.548 57.883 56.400 -0.108 0.000 0.801 42 E CB 0.071 29.773 29.700 0.003 0.000 0.743 42 E HN 0.469 nan 8.360 nan 0.000 0.453 43 D N 0.250 120.625 120.400 -0.041 0.000 2.388 43 D HA 0.051 4.691 4.640 -0.000 0.000 0.221 43 D C -0.132 176.142 176.300 -0.043 0.000 1.133 43 D CA 0.067 54.050 54.000 -0.029 0.000 0.831 43 D CB 0.317 41.117 40.800 -0.000 0.000 0.962 43 D HN -0.107 nan 8.370 nan 0.000 0.502 44 S N 1.537 117.190 115.700 -0.077 0.000 2.568 44 S HA 0.064 4.534 4.470 -0.000 0.000 0.282 44 S C -1.165 173.394 174.600 -0.070 0.000 1.338 44 S CA -0.927 57.224 58.200 -0.080 0.000 1.045 44 S CB 1.002 64.127 63.200 -0.124 0.000 0.873 44 S HN 0.015 nan 8.310 nan 0.000 0.516 45 P HA 0.096 nan 4.420 nan 0.000 0.233 45 P C 0.062 177.327 177.300 -0.058 0.000 1.167 45 P CA 0.444 63.513 63.100 -0.051 0.000 0.770 45 P CB -0.133 31.540 31.700 -0.045 0.000 0.837 46 I N 2.342 122.869 120.570 -0.072 0.000 2.533 46 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 46 I C -2.023 174.047 176.117 -0.078 0.000 1.109 46 I CA -2.288 58.967 61.300 -0.076 0.000 1.412 46 I CB 0.089 38.036 38.000 -0.088 0.000 1.396 46 I HN -0.229 nan 8.210 nan 0.000 0.543 47 P HA 0.025 nan 4.420 nan 0.000 0.264 47 P C -1.082 176.176 177.300 -0.071 0.000 1.193 47 P CA 0.115 63.180 63.100 -0.058 0.000 0.763 47 P CB 0.296 31.970 31.700 -0.043 0.000 0.810 48 N N 0.571 119.225 118.700 -0.076 0.000 2.732 48 N HA 0.372 5.112 4.740 -0.000 0.000 0.259 48 N C -1.510 173.960 175.510 -0.067 0.000 1.402 48 N CA -0.720 52.274 53.050 -0.093 0.000 0.829 48 N CB 1.562 39.952 38.487 -0.161 0.000 1.495 48 N HN 0.031 nan 8.380 nan 0.000 0.511 49 T N 1.336 115.857 114.554 -0.056 0.000 2.833 49 T HA 0.308 4.658 4.350 -0.000 0.000 0.297 49 T C -0.139 174.556 174.700 -0.008 0.000 1.015 49 T CA -0.412 61.675 62.100 -0.022 0.000 0.963 49 T CB -0.094 68.774 68.868 -0.001 0.000 0.955 49 T HN 0.632 nan 8.240 nan 0.000 0.449 50 N N 2.249 120.949 118.700 -0.000 0.000 2.693 50 N HA -0.243 4.497 4.740 -0.000 0.000 0.249 50 N C 1.148 176.649 175.510 -0.015 0.000 1.119 50 N CA 1.729 54.806 53.050 0.045 0.000 0.717 50 N CB -1.331 37.226 38.487 0.116 0.000 1.071 50 N HN 1.253 nan 8.380 nan 0.000 0.555 51 G N -1.475 107.179 108.800 -0.243 0.000 2.213 51 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.226 51 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.226 51 G C 0.008 174.479 174.900 -0.715 0.000 0.992 51 G CA 0.124 44.757 45.100 -0.777 0.000 0.632 51 G HN 0.417 nan 8.290 nan 0.000 0.511 52 I N 2.729 123.166 120.570 -0.223 0.000 2.331 52 I HA 0.361 4.530 4.170 -0.000 0.000 0.292 52 I C 1.158 177.219 176.117 -0.094 0.000 0.998 52 I CA -1.089 60.173 61.300 -0.063 0.000 1.267 52 I CB 1.172 39.236 38.000 0.106 0.000 1.386 52 I HN 0.283 nan 8.210 nan 0.000 0.476 53 R N 4.609 125.047 120.500 -0.102 0.000 2.522 53 R HA 0.137 4.477 4.340 -0.000 0.000 0.284 53 R C 0.051 176.314 176.300 -0.062 0.000 1.032 53 R CA -0.429 55.616 56.100 -0.093 0.000 1.049 53 R CB 0.306 30.550 30.300 -0.093 0.000 0.956 53 R HN 0.520 nan 8.270 nan 0.000 0.422 54 N N 2.314 120.981 118.700 -0.055 0.000 2.188 54 N HA -0.174 4.566 4.740 -0.000 0.000 0.184 54 N C 0.862 176.349 175.510 -0.037 0.000 1.018 54 N CA 1.755 54.782 53.050 -0.039 0.000 0.858 54 N CB -0.246 38.221 38.487 -0.033 0.000 0.989 54 N HN 0.760 nan 8.380 nan 0.000 0.426 55 D N 0.463 120.836 120.400 -0.044 0.000 2.117 55 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 55 D C 1.890 178.155 176.300 -0.058 0.000 0.987 55 D CA 0.734 54.706 54.000 -0.047 0.000 0.829 55 D CB -0.752 40.021 40.800 -0.046 0.000 0.961 55 D HN 0.043 nan 8.370 nan 0.000 0.460 56 V N 0.724 120.601 119.914 -0.062 0.000 2.358 56 V HA -0.173 3.946 4.120 -0.000 0.000 0.246 56 V C 2.820 178.883 176.094 -0.052 0.000 1.047 56 V CA 1.102 63.360 62.300 -0.071 0.000 1.035 56 V CB -0.612 31.165 31.823 -0.077 0.000 0.658 56 V HN 0.201 nan 8.190 nan 0.000 0.452 57 L N -0.293 120.907 121.223 -0.039 0.000 2.012 57 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 57 L C 2.806 179.670 176.870 -0.009 0.000 1.073 57 L CA 1.507 56.334 54.840 -0.022 0.000 0.748 57 L CB -0.559 41.491 42.059 -0.015 0.000 0.891 57 L HN 0.348 nan 8.230 nan 0.000 0.431 58 E N -0.086 120.108 120.200 -0.011 0.000 2.072 58 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 58 E C 2.264 178.878 176.600 0.024 0.000 0.985 58 E CA 1.279 57.682 56.400 0.005 0.000 0.801 58 E CB -0.269 29.431 29.700 -0.001 0.000 0.750 58 E HN 0.461 nan 8.360 nan 0.000 0.452 59 A N 1.268 124.087 122.820 -0.002 0.000 1.902 59 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 59 A C 2.376 180.061 177.584 0.169 0.000 1.181 59 A CA 1.092 53.142 52.037 0.021 0.000 0.623 59 A CB -0.664 18.228 19.000 -0.181 0.000 0.818 59 A HN 0.178 nan 8.150 nan 0.000 0.443 60 L N -1.135 120.134 121.223 0.077 0.000 2.109 60 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 60 L C 2.532 179.432 176.870 0.050 0.000 1.086 60 L CA 1.463 56.335 54.840 0.054 0.000 0.760 60 L CB -0.427 41.609 42.059 -0.037 0.000 0.910 60 L HN 0.333 nan 8.230 nan 0.000 0.437 61 K N -0.211 120.216 120.400 0.044 0.000 2.057 61 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 61 K C 2.156 178.791 176.600 0.058 0.000 1.049 61 K CA 1.248 57.560 56.287 0.041 0.000 0.931 61 K CB -0.092 32.426 32.500 0.030 0.000 0.714 61 K HN 0.056 nan 8.250 nan 0.000 0.440 62 Q N 1.023 120.874 119.800 0.085 0.000 2.124 62 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 62 Q C 1.842 177.895 176.000 0.088 0.000 0.977 62 Q CA 1.579 57.442 55.803 0.101 0.000 0.850 62 Q CB -0.087 28.743 28.738 0.153 0.000 0.901 62 Q HN 0.280 nan 8.270 nan 0.000 0.429 63 M N -0.387 119.269 119.600 0.093 0.000 2.557 63 M HA -0.068 4.412 4.480 -0.000 0.000 0.259 63 M C -0.450 175.875 176.300 0.041 0.000 1.086 63 M CA 0.924 56.222 55.300 -0.002 0.000 1.096 63 M CB 0.343 32.899 32.600 -0.073 0.000 1.424 63 M HN 0.005 nan 8.290 nan 0.000 0.488 64 K N 1.424 121.853 120.400 0.050 0.000 3.239 64 K HA -0.174 4.146 4.320 -0.000 0.000 0.270 64 K C -0.363 176.296 176.600 0.098 0.000 1.049 64 K CA 0.483 56.803 56.287 0.055 0.000 0.769 64 K CB -2.763 29.755 32.500 0.030 0.000 1.305 64 K HN 0.655 nan 8.250 nan 0.000 0.469 65 I N 1.959 122.582 120.570 0.089 0.000 2.741 65 I HA -0.040 4.130 4.170 -0.000 0.000 0.288 65 I C -0.657 175.548 176.117 0.147 0.000 1.192 65 I CA -0.875 60.506 61.300 0.135 0.000 1.426 65 I CB 0.874 38.894 38.000 0.033 0.000 1.367 65 I HN 0.102 nan 8.210 nan 0.000 0.563 66 P HA 0.098 nan 4.420 nan 0.000 0.236 66 P C -0.022 177.372 177.300 0.157 0.000 1.174 66 P CA 0.393 63.591 63.100 0.164 0.000 0.840 66 P CB 0.888 32.701 31.700 0.187 0.000 0.947 67 V N 0.229 120.255 119.914 0.187 0.000 3.048 67 V HA 0.570 4.690 4.120 -0.000 0.000 0.303 67 V C -2.192 174.047 176.094 0.242 0.000 1.214 67 V CA -0.991 61.423 62.300 0.190 0.000 0.984 67 V CB 2.524 34.416 31.823 0.115 0.000 1.054 67 V HN -0.128 nan 8.190 nan 0.000 0.430 68 L N 5.748 127.144 121.223 0.288 0.000 2.404 68 L HA 0.676 5.015 4.340 -0.000 0.000 0.272 68 L C -0.422 176.726 176.870 0.462 0.000 0.980 68 L CA -0.248 54.801 54.840 0.349 0.000 0.836 68 L CB 1.634 43.875 42.059 0.303 0.000 1.238 68 L HN 0.829 nan 8.230 nan 0.000 0.408 69 R N 3.869 124.550 120.500 0.302 0.000 2.297 69 R HA 0.545 4.885 4.340 -0.000 0.000 0.308 69 R C -1.821 174.572 176.300 0.155 0.000 1.029 69 R CA -0.348 55.756 56.100 0.006 0.000 0.929 69 R CB 0.855 30.929 30.300 -0.377 0.000 1.046 69 R HN 0.762 nan 8.270 nan 0.000 0.461 70 W N 7.440 128.539 121.300 -0.336 0.000 3.248 70 W HA 0.416 5.076 4.660 -0.000 0.000 0.311 70 W C -2.641 173.620 176.519 -0.430 0.000 1.258 70 W CA -1.200 55.891 57.345 -0.423 0.000 1.191 70 W CB 1.763 30.577 29.460 -1.077 0.000 1.389 70 W HN 0.644 nan 8.180 nan 0.000 0.561 71 P HA 0.073 nan 4.420 nan 0.000 0.535 71 P C -0.094 176.961 177.300 -0.407 0.000 0.570 71 P CA 2.019 64.263 63.100 -1.427 0.000 2.509 71 P CB -0.978 30.042 31.700 -1.134 0.000 1.141 72 G N -1.797 106.897 108.800 -0.177 0.000 2.373 72 G HA2 0.438 4.398 3.960 -0.000 0.000 0.250 72 G HA3 0.438 4.398 3.960 -0.000 0.000 0.250 72 G C 0.211 175.191 174.900 0.133 0.000 1.304 72 G CA 0.347 45.569 45.100 0.204 0.000 0.948 72 G HN 0.373 nan 8.290 nan 0.000 0.474 73 G N -0.928 108.053 108.800 0.302 0.000 2.964 73 G HA2 0.288 4.248 3.960 -0.000 0.000 0.191 73 G HA3 0.288 4.248 3.960 -0.000 0.000 0.191 73 G C 1.711 176.645 174.900 0.056 0.000 1.978 73 G CA 1.485 46.653 45.100 0.113 0.000 0.861 73 G HN 1.158 nan 8.290 nan 0.000 0.584 74 c N -0.110 118.542 118.600 0.088 0.000 2.413 74 c HA -0.039 4.531 4.570 -0.000 0.000 0.277 74 c C 2.502 176.609 174.090 0.028 0.000 1.265 74 c CA 0.850 57.198 56.329 0.031 0.000 1.752 74 c CB -1.336 41.211 42.510 0.062 0.000 1.998 74 c HN 0.451 nan 8.230 nan 0.000 0.489 75 F N 2.254 122.159 119.950 -0.076 0.000 2.202 75 F HA -0.110 4.417 4.527 -0.000 0.000 0.301 75 F C 2.272 177.969 175.800 -0.172 0.000 1.082 75 F CA 1.363 59.289 58.000 -0.123 0.000 1.313 75 F CB -0.270 38.634 39.000 -0.160 0.000 1.024 75 F HN 0.164 nan 8.300 nan 0.000 0.495 76 A N -0.484 122.274 122.820 -0.104 0.000 2.015 76 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 76 A C 1.443 178.918 177.584 -0.183 0.000 1.163 76 A CA 1.901 53.830 52.037 -0.179 0.000 0.646 76 A CB -0.816 18.089 19.000 -0.158 0.000 0.806 76 A HN 0.467 nan 8.150 nan 0.000 0.448 77 D N -1.015 119.274 120.400 -0.184 0.000 2.342 77 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 77 D C 1.176 177.344 176.300 -0.220 0.000 1.101 77 D CA 0.239 54.136 54.000 -0.172 0.000 0.837 77 D CB 0.328 41.042 40.800 -0.143 0.000 0.938 77 D HN 0.627 nan 8.370 nan 0.000 0.508 78 E N -0.785 119.217 120.200 -0.331 0.000 2.434 78 E HA 0.019 4.369 4.350 -0.000 0.000 0.207 78 E C -0.114 176.127 176.600 -0.598 0.000 0.929 78 E CA -0.283 55.889 56.400 -0.380 0.000 1.001 78 E CB 0.537 30.045 29.700 -0.320 0.000 1.016 78 E HN 0.222 nan 8.360 nan 0.000 0.502 79 Y N 1.841 121.624 120.300 -0.862 0.000 2.359 79 Y HA 0.115 4.664 4.550 -0.000 0.000 0.330 79 Y C -0.671 174.762 175.900 -0.778 0.000 1.143 79 Y CA -0.263 57.314 58.100 -0.873 0.000 1.318 79 Y CB 0.358 38.307 38.460 -0.852 0.000 1.234 79 Y HN -0.068 nan 8.280 nan 0.000 0.522 80 H N 6.795 125.420 119.070 -0.742 0.000 2.718 80 H HA 0.073 4.629 4.556 -0.000 0.000 0.295 80 H C 0.355 174.981 175.328 -1.170 0.000 1.051 80 H CA -0.590 55.021 56.048 -0.728 0.000 1.260 80 H CB 0.256 29.747 29.762 -0.452 0.000 1.403 80 H HN 0.892 nan 8.280 nan 0.000 0.488 81 W N 3.945 124.461 121.300 -1.305 0.000 2.331 81 W HA -0.187 4.473 4.660 -0.000 0.000 0.291 81 W C 0.325 176.377 176.519 -0.779 0.000 1.214 81 W CA 0.703 57.180 57.345 -1.446 0.000 1.228 81 W CB -0.345 27.774 29.460 -2.235 0.000 1.135 81 W HN 0.415 nan 8.180 nan 0.000 0.537 82 K N 0.653 120.147 120.400 -1.509 0.000 2.280 82 K HA -0.162 4.158 4.320 -0.000 0.000 0.202 82 K C 1.374 177.692 176.600 -0.470 0.000 1.047 82 K CA 1.792 57.418 56.287 -1.101 0.000 0.942 82 K CB -0.313 31.654 32.500 -0.888 0.000 0.739 82 K HN -0.025 nan 8.250 nan 0.000 0.457 83 D N 0.042 120.193 120.400 -0.415 0.000 2.263 83 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 83 D C 1.543 177.821 176.300 -0.037 0.000 0.971 83 D CA 0.999 54.893 54.000 -0.175 0.000 0.867 83 D CB -0.071 40.647 40.800 -0.136 0.000 0.929 83 D HN 0.371 nan 8.370 nan 0.000 0.492 84 G N 0.066 108.847 108.800 -0.030 0.000 3.393 84 G HA2 0.319 4.279 3.960 -0.000 0.000 0.255 84 G HA3 0.319 4.279 3.960 -0.000 0.000 0.255 84 G C 0.455 175.412 174.900 0.094 0.000 1.097 84 G CA 0.063 45.262 45.100 0.164 0.000 0.780 84 G HN 0.212 nan 8.290 nan 0.000 0.540 85 V N -3.563 116.317 119.914 -0.056 0.000 3.113 85 V HA 1.011 5.131 4.120 -0.000 0.000 0.316 85 V C 0.441 176.454 176.094 -0.136 0.000 1.125 85 V CA -0.375 61.842 62.300 -0.137 0.000 1.026 85 V CB 1.178 32.793 31.823 -0.346 0.000 1.080 85 V HN 1.393 nan 8.190 nan 0.000 0.444 86 G N 1.163 109.869 108.800 -0.156 0.000 2.712 86 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.683 86 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.683 86 G C -3.044 171.849 174.900 -0.011 0.000 1.320 86 G CA -0.453 44.657 45.100 0.016 0.000 0.847 86 G HN 0.982 nan 8.290 nan 0.000 0.553 87 P HA 0.089 nan 4.420 nan 0.000 0.257 87 P C 1.132 178.422 177.300 -0.016 0.000 1.162 87 P CA 0.252 63.357 63.100 0.008 0.000 0.762 87 P CB 0.472 32.194 31.700 0.038 0.000 0.753 88 R N 4.921 125.382 120.500 -0.065 0.000 2.117 88 R HA -0.213 4.127 4.340 -0.000 0.000 0.243 88 R C 1.793 177.995 176.300 -0.162 0.000 1.143 88 R CA 1.689 57.693 56.100 -0.160 0.000 0.968 88 R CB -0.154 30.001 30.300 -0.241 0.000 0.863 88 R HN 0.516 nan 8.270 nan 0.000 0.444 89 E N 0.213 120.371 120.200 -0.070 0.000 2.409 89 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 89 E C 0.374 177.018 176.600 0.074 0.000 1.024 89 E CA 0.965 57.378 56.400 0.022 0.000 0.861 89 E CB 0.206 29.929 29.700 0.038 0.000 0.788 89 E HN 0.180 nan 8.360 nan 0.000 0.521 90 K N 1.002 121.437 120.400 0.058 0.000 2.438 90 K HA 0.268 4.588 4.320 -0.000 0.000 0.205 90 K C 0.247 176.894 176.600 0.078 0.000 1.033 90 K CA -0.214 56.114 56.287 0.068 0.000 1.089 90 K CB 0.919 33.453 32.500 0.058 0.000 0.857 90 K HN 0.057 nan 8.250 nan 0.000 0.522 91 R N 1.269 121.828 120.500 0.099 0.000 2.531 91 R HA 0.210 4.550 4.340 -0.000 0.000 0.273 91 R C 0.203 176.570 176.300 0.112 0.000 1.070 91 R CA -0.289 55.875 56.100 0.107 0.000 1.112 91 R CB 0.867 31.249 30.300 0.137 0.000 1.049 91 R HN -0.080 nan 8.270 nan 0.000 0.508 92 K N 1.796 122.248 120.400 0.087 0.000 2.414 92 K HA 0.021 4.340 4.320 -0.000 0.000 0.272 92 K C 0.215 176.872 176.600 0.095 0.000 0.993 92 K CA 0.389 56.720 56.287 0.073 0.000 0.964 92 K CB 0.587 33.114 32.500 0.046 0.000 0.925 92 K HN 0.352 nan 8.250 nan 0.000 0.487 93 R N 2.877 123.421 120.500 0.074 0.000 2.534 93 R HA 0.330 4.670 4.340 -0.000 0.000 0.301 93 R C -1.119 175.220 176.300 0.064 0.000 0.961 93 R CA -0.667 55.471 56.100 0.063 0.000 0.871 93 R CB 0.876 31.203 30.300 0.044 0.000 1.170 93 R HN 0.509 nan 8.270 nan 0.000 0.446 94 M N 3.994 123.638 119.600 0.073 0.000 2.326 94 M HA 0.416 4.896 4.480 -0.000 0.000 0.306 94 M C -1.198 175.148 176.300 0.076 0.000 1.054 94 M CA -1.122 54.227 55.300 0.082 0.000 0.922 94 M CB 1.582 34.249 32.600 0.111 0.000 1.632 94 M HN 0.177 nan 8.290 nan 0.000 0.436 95 V N 2.859 122.821 119.914 0.079 0.000 2.525 95 V HA 0.419 4.539 4.120 -0.000 0.000 0.299 95 V C -0.388 175.779 176.094 0.122 0.000 1.034 95 V CA -0.698 61.655 62.300 0.087 0.000 0.863 95 V CB 2.086 33.947 31.823 0.064 0.000 0.999 95 V HN 0.915 nan 8.190 nan 0.000 0.423 96 N N 2.383 121.177 118.700 0.155 0.000 2.426 96 N HA 0.096 4.836 4.740 -0.000 0.000 0.257 96 N C 0.289 175.936 175.510 0.229 0.000 1.002 96 N CA -0.137 53.039 53.050 0.210 0.000 0.942 96 N CB 1.789 40.414 38.487 0.230 0.000 1.112 96 N HN 0.743 nan 8.380 nan 0.000 0.499 97 T N 5.080 119.776 114.554 0.236 0.000 3.354 97 T HA -0.125 4.225 4.350 -0.000 0.000 0.222 97 T C 0.881 175.613 174.700 0.053 0.000 0.997 97 T CA 0.005 62.211 62.100 0.177 0.000 1.742 97 T CB -1.243 67.682 68.868 0.095 0.000 1.109 97 T HN 0.635 nan 8.240 nan 0.000 0.657 98 H N 1.135 120.195 119.070 -0.017 0.000 2.088 98 H HA -0.221 4.335 4.556 -0.000 0.000 0.338 98 H C 0.298 175.594 175.328 -0.054 0.000 0.918 98 H CA 0.786 56.812 56.048 -0.036 0.000 1.106 98 H CB -2.052 27.650 29.762 -0.100 0.000 1.549 98 H HN 0.814 nan 8.280 nan 0.000 0.356 99 W N 0.574 121.832 121.300 -0.071 0.000 2.848 99 W HA 0.193 4.852 4.660 -0.000 0.000 0.241 99 W C 1.553 178.070 176.519 -0.003 0.000 1.289 99 W CA 1.067 58.372 57.345 -0.068 0.000 1.396 99 W CB 0.334 29.778 29.460 -0.026 0.000 1.138 99 W HN 0.789 nan 8.180 nan 0.000 0.677 100 G N -0.544 108.386 108.800 0.217 0.000 2.247 100 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.111 100 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.111 100 G C 0.369 175.449 174.900 0.300 0.000 1.045 100 G CA -0.406 44.805 45.100 0.186 0.000 0.715 100 G HN 0.441 nan 8.290 nan 0.000 0.485 101 G N -1.153 107.845 108.800 0.330 0.000 3.193 101 G HA2 0.530 4.490 3.960 -0.000 0.000 0.183 101 G HA3 0.530 4.490 3.960 -0.000 0.000 0.183 101 G C 1.446 176.547 174.900 0.335 0.000 1.254 101 G CA 1.736 47.052 45.100 0.360 0.000 0.898 101 G HN 2.041 nan 8.290 nan 0.000 0.816 102 V N -0.079 120.013 119.914 0.298 0.000 0.691 102 V HA -0.354 3.766 4.120 -0.000 0.000 0.092 102 V C 0.589 176.766 176.094 0.139 0.000 0.777 102 V CA 1.403 63.831 62.300 0.213 0.000 3.098 102 V CB -1.309 30.655 31.823 0.235 0.000 0.187 102 V HN 0.352 nan 8.190 nan 0.000 0.080 103 I N 1.233 121.848 120.570 0.076 0.000 2.378 103 I HA 0.700 4.870 4.170 -0.000 0.000 0.291 103 I C -0.245 175.825 176.117 -0.079 0.000 0.992 103 I CA 0.048 61.340 61.300 -0.014 0.000 1.154 103 I CB 1.378 39.328 38.000 -0.084 0.000 1.315 103 I HN 0.752 nan 8.210 nan 0.000 0.448 104 E N 4.765 124.951 120.200 -0.023 0.000 2.255 104 E HA 0.263 4.613 4.350 -0.000 0.000 0.245 104 E C -0.077 176.517 176.600 -0.010 0.000 0.909 104 E CA -0.457 55.947 56.400 0.007 0.000 0.747 104 E CB 0.369 30.191 29.700 0.203 0.000 1.215 104 E HN 0.517 nan 8.360 nan 0.000 0.424 105 N N 3.585 122.184 118.700 -0.169 0.000 2.336 105 N HA 0.002 4.741 4.740 -0.000 0.000 0.189 105 N C -0.285 175.307 175.510 0.137 0.000 1.113 105 N CA -0.069 52.923 53.050 -0.096 0.000 0.858 105 N CB -0.094 38.165 38.487 -0.379 0.000 0.970 105 N HN 0.397 nan 8.380 nan 0.000 0.471 106 N N 0.212 119.072 118.700 0.266 0.000 2.708 106 N HA -0.229 4.510 4.740 -0.000 0.000 0.251 106 N C 0.056 175.810 175.510 0.407 0.000 1.123 106 N CA 0.896 54.189 53.050 0.405 0.000 0.739 106 N CB -1.724 36.951 38.487 0.313 0.000 1.113 106 N HN 0.664 nan 8.380 nan 0.000 0.561 107 H N -1.584 117.604 119.070 0.197 0.000 2.457 107 H HA -0.022 4.534 4.556 -0.000 0.000 0.294 107 H C 0.399 175.540 175.328 -0.311 0.000 1.064 107 H CA 0.462 56.529 56.048 0.031 0.000 1.330 107 H CB 0.153 30.018 29.762 0.172 0.000 1.395 107 H HN 0.171 nan 8.280 nan 0.000 0.541 108 F N 1.619 121.469 119.950 -0.167 0.000 2.334 108 F HA 0.400 4.927 4.527 -0.000 0.000 0.367 108 F C 0.476 176.373 175.800 0.163 0.000 1.115 108 F CA -0.389 57.395 58.000 -0.361 0.000 1.116 108 F CB 0.562 39.254 39.000 -0.513 0.000 1.230 108 F HN -0.058 nan 8.300 nan 0.000 0.484 109 G N 2.632 111.359 108.800 -0.122 0.000 3.247 109 G HA2 0.187 4.147 3.960 -0.000 0.000 0.226 109 G HA3 0.187 4.147 3.960 -0.000 0.000 0.226 109 G C 0.465 175.396 174.900 0.052 0.000 1.220 109 G CA 0.000 45.262 45.100 0.270 0.000 0.875 109 G HN 0.353 nan 8.290 nan 0.000 0.606 110 T N 0.178 114.962 114.554 0.383 0.000 2.684 110 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 110 T C 1.943 176.585 174.700 -0.098 0.000 1.036 110 T CA 1.824 64.104 62.100 0.300 0.000 1.148 110 T CB -0.501 68.734 68.868 0.612 0.000 0.863 110 T HN 0.449 nan 8.240 nan 0.000 0.436 111 H N 0.777 119.822 119.070 -0.042 0.000 2.353 111 H HA -0.060 4.496 4.556 -0.000 0.000 0.300 111 H C 2.482 177.673 175.328 -0.228 0.000 1.090 111 H CA 1.489 57.523 56.048 -0.023 0.000 1.327 111 H CB 0.036 29.916 29.762 0.197 0.000 1.383 111 H HN 0.385 nan 8.280 nan 0.000 0.508 112 E N 0.512 120.538 120.200 -0.290 0.000 2.077 112 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 112 E C 1.915 178.069 176.600 -0.744 0.000 0.989 112 E CA 0.682 56.755 56.400 -0.545 0.000 0.800 112 E CB -0.391 28.694 29.700 -1.025 0.000 0.746 112 E HN 0.321 nan 8.360 nan 0.000 0.452 113 F N 0.615 119.823 119.950 -1.237 0.000 2.113 113 F HA -0.162 4.364 4.527 -0.000 0.000 0.297 113 F C 1.892 177.337 175.800 -0.592 0.000 1.103 113 F CA 1.202 58.592 58.000 -1.016 0.000 1.248 113 F CB -0.084 37.932 39.000 -1.638 0.000 0.999 113 F HN -0.041 nan 8.300 nan 0.000 0.475 114 M N -0.203 118.957 119.600 -0.733 0.000 2.149 114 M HA -0.254 4.225 4.480 -0.000 0.000 0.261 114 M C 2.336 178.341 176.300 -0.491 0.000 1.064 114 M CA 1.681 56.482 55.300 -0.832 0.000 1.102 114 M CB -1.382 30.297 32.600 -1.535 0.000 1.369 114 M HN 0.416 nan 8.290 nan 0.000 0.408 115 M N -0.159 119.265 119.600 -0.294 0.000 2.132 115 M HA -0.194 4.285 4.480 -0.000 0.000 0.263 115 M C 2.065 178.298 176.300 -0.113 0.000 1.065 115 M CA 1.412 56.659 55.300 -0.088 0.000 1.122 115 M CB -0.205 32.412 32.600 0.028 0.000 1.365 115 M HN 0.222 nan 8.290 nan 0.000 0.411 116 L N 0.646 121.772 121.223 -0.161 0.000 2.013 116 L HA -0.231 4.108 4.340 -0.000 0.000 0.212 116 L C 2.241 178.992 176.870 -0.199 0.000 1.073 116 L CA 2.045 56.822 54.840 -0.105 0.000 0.753 116 L CB -1.089 40.957 42.059 -0.021 0.000 0.890 116 L HN 0.481 nan 8.230 nan 0.000 0.432 117 C N -0.283 118.781 119.300 -0.394 0.000 2.440 117 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 117 C C 2.534 177.430 174.990 -0.157 0.000 1.295 117 C CA 0.835 59.661 59.018 -0.320 0.000 1.738 117 C CB -0.974 26.481 27.740 -0.475 0.000 1.987 117 C HN 0.608 nan 8.230 nan 0.000 0.492 118 E N 0.813 120.934 120.200 -0.132 0.000 2.077 118 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 118 E C 2.019 178.607 176.600 -0.021 0.000 0.989 118 E CA 1.103 57.479 56.400 -0.039 0.000 0.800 118 E CB -0.215 29.492 29.700 0.011 0.000 0.746 118 E HN 0.622 nan 8.360 nan 0.000 0.452 119 L N 0.446 121.654 121.223 -0.025 0.000 2.141 119 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 119 L C 2.269 179.133 176.870 -0.010 0.000 1.094 119 L CA 0.790 55.626 54.840 -0.006 0.000 0.763 119 L CB -0.197 41.864 42.059 0.004 0.000 0.908 119 L HN 0.168 nan 8.230 nan 0.000 0.437 120 L N -0.698 120.509 121.223 -0.027 0.000 2.418 120 L HA 0.099 4.439 4.340 -0.000 0.000 0.218 120 L C 1.557 178.426 176.870 -0.003 0.000 1.125 120 L CA 0.593 55.423 54.840 -0.016 0.000 0.835 120 L CB -0.463 41.578 42.059 -0.030 0.000 0.953 120 L HN 0.478 nan 8.230 nan 0.000 0.454 121 G N 0.315 109.112 108.800 -0.007 0.000 2.153 121 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.252 121 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.252 121 G C 0.358 175.269 174.900 0.018 0.000 0.994 121 G CA 0.285 45.390 45.100 0.008 0.000 0.698 121 G HN 0.491 nan 8.290 nan 0.000 0.521 122 C N -1.175 118.129 119.300 0.007 0.000 2.325 122 C HA 0.880 5.340 4.460 -0.000 0.000 0.370 122 C C 0.536 175.549 174.990 0.037 0.000 1.217 122 C CA -1.580 57.461 59.018 0.038 0.000 2.254 122 C CB 1.710 29.482 27.740 0.054 0.000 2.282 122 C HN 0.409 nan 8.230 nan 0.000 0.564 123 E N 2.598 122.858 120.200 0.100 0.000 2.313 123 E HA 0.361 4.711 4.350 -0.000 0.000 0.276 123 E C -2.307 174.395 176.600 0.170 0.000 1.031 123 E CA -1.330 55.157 56.400 0.145 0.000 0.857 123 E CB 0.945 30.808 29.700 0.272 0.000 1.040 123 E HN 0.569 nan 8.360 nan 0.000 0.408 124 P HA 0.074 nan 4.420 nan 0.000 0.279 124 P C -0.857 176.731 177.300 0.480 0.000 1.239 124 P CA -0.255 62.995 63.100 0.251 0.000 0.789 124 P CB 0.421 32.186 31.700 0.109 0.000 0.933 125 Y N 3.963 124.499 120.300 0.393 0.000 2.349 125 Y HA 0.477 5.026 4.550 -0.000 0.000 0.324 125 Y C -1.199 174.756 175.900 0.091 0.000 1.005 125 Y CA -2.039 56.213 58.100 0.255 0.000 1.240 125 Y CB 0.402 38.972 38.460 0.184 0.000 1.117 125 Y HN 0.233 nan 8.280 nan 0.000 0.463 126 I N 4.276 124.913 120.570 0.110 0.000 2.359 126 I HA 0.279 4.449 4.170 -0.000 0.000 0.294 126 I C 0.110 175.771 176.117 -0.761 0.000 0.987 126 I CA -0.682 60.331 61.300 -0.478 0.000 1.225 126 I CB 1.740 39.172 38.000 -0.948 0.000 1.366 126 I HN 0.511 nan 8.210 nan 0.000 0.466 127 S N 4.408 119.719 115.700 -0.649 0.000 2.448 127 S HA 0.551 5.020 4.470 -0.000 0.000 0.320 127 S C 0.132 174.525 174.600 -0.344 0.000 1.071 127 S CA -0.610 57.306 58.200 -0.474 0.000 1.113 127 S CB 0.517 63.489 63.200 -0.378 0.000 0.972 127 S HN 0.773 nan 8.310 nan 0.000 0.465 128 G N 3.079 111.724 108.800 -0.259 0.000 2.537 128 G HA2 0.204 4.164 3.960 -0.000 0.000 0.273 128 G HA3 0.204 4.164 3.960 -0.000 0.000 0.273 128 G C -0.128 174.884 174.900 0.187 0.000 1.189 128 G CA -0.574 44.666 45.100 0.233 0.000 0.881 128 G HN 0.650 nan 8.290 nan 0.000 0.535 129 N N 0.808 119.659 118.700 0.251 0.000 2.437 129 N HA 0.171 4.911 4.740 -0.000 0.000 0.243 129 N C 0.871 176.381 175.510 -0.001 0.000 1.041 129 N CA -0.410 52.681 53.050 0.068 0.000 0.940 129 N CB 1.536 40.025 38.487 0.005 0.000 1.133 129 N HN 0.046 nan 8.380 nan 0.000 0.506 130 V N 3.237 123.058 119.914 -0.156 0.000 2.581 130 V HA 0.105 4.225 4.120 -0.000 0.000 0.240 130 V C 2.219 178.242 176.094 -0.117 0.000 1.054 130 V CA 1.545 63.605 62.300 -0.399 0.000 1.076 130 V CB -0.755 30.807 31.823 -0.435 0.000 0.748 130 V HN 0.732 nan 8.190 nan 0.000 0.474 131 G N 0.552 109.315 108.800 -0.061 0.000 2.476 131 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 131 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 131 G C 1.421 176.353 174.900 0.053 0.000 1.164 131 G CA 1.690 46.792 45.100 0.002 0.000 0.768 131 G HN 0.706 nan 8.290 nan 0.000 0.560 132 S N -1.043 114.683 115.700 0.042 0.000 2.937 132 S HA 0.551 5.020 4.470 -0.000 0.000 0.252 132 S C 0.725 175.445 174.600 0.201 0.000 1.022 132 S CA 0.231 58.492 58.200 0.102 0.000 1.079 132 S CB 0.775 64.014 63.200 0.065 0.000 1.035 132 S HN 0.568 nan 8.310 nan 0.000 0.594 133 G N 1.321 110.242 108.800 0.201 0.000 2.552 133 G HA2 0.645 4.605 3.960 -0.000 0.000 0.324 133 G HA3 0.645 4.605 3.960 -0.000 0.000 0.324 133 G C -0.363 174.763 174.900 0.376 0.000 1.217 133 G CA -0.288 44.992 45.100 0.300 0.000 0.989 133 G HN 0.464 nan 8.290 nan 0.000 0.490 134 T N -3.070 111.683 114.554 0.331 0.000 2.949 134 T HA 0.417 4.767 4.350 -0.000 0.000 0.287 134 T C 1.219 175.977 174.700 0.096 0.000 1.034 134 T CA -0.454 61.761 62.100 0.191 0.000 1.018 134 T CB 1.506 70.406 68.868 0.053 0.000 1.135 134 T HN 0.187 nan 8.240 nan 0.000 0.532 135 V N 1.167 120.843 119.914 -0.397 0.000 2.343 135 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 135 V C 3.001 178.980 176.094 -0.191 0.000 1.051 135 V CA 2.347 64.272 62.300 -0.626 0.000 1.036 135 V CB -0.935 30.430 31.823 -0.763 0.000 0.654 135 V HN 1.030 nan 8.190 nan 0.000 0.451 136 Q N -0.015 119.698 119.800 -0.145 0.000 2.079 136 Q HA -0.271 4.069 4.340 -0.000 0.000 0.200 136 Q C 2.301 178.382 176.000 0.135 0.000 0.974 136 Q CA 2.099 57.876 55.803 -0.044 0.000 0.840 136 Q CB -0.166 28.535 28.738 -0.061 0.000 0.898 136 Q HN 0.777 nan 8.270 nan 0.000 0.430 137 E N 0.124 120.442 120.200 0.197 0.000 2.058 137 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 137 E C 2.028 178.959 176.600 0.552 0.000 0.997 137 E CA 1.476 58.104 56.400 0.379 0.000 0.801 137 E CB -0.162 29.735 29.700 0.328 0.000 0.746 137 E HN 0.469 nan 8.360 nan 0.000 0.450 138 M N -0.036 119.851 119.600 0.478 0.000 2.200 138 M HA -0.126 4.354 4.480 -0.000 0.000 0.265 138 M C 2.432 178.938 176.300 0.344 0.000 1.066 138 M CA 1.397 57.029 55.300 0.554 0.000 1.127 138 M CB 0.003 32.991 32.600 0.646 0.000 1.379 138 M HN 0.110 nan 8.290 nan 0.000 0.420 139 S N 0.390 116.232 115.700 0.237 0.000 2.368 139 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 139 S C 1.577 176.292 174.600 0.192 0.000 1.030 139 S CA 1.740 60.035 58.200 0.157 0.000 0.999 139 S CB -0.326 62.955 63.200 0.135 0.000 0.844 139 S HN 0.601 nan 8.310 nan 0.000 0.459 140 E N -0.761 119.608 120.200 0.283 0.000 2.150 140 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 140 E C 1.677 178.463 176.600 0.310 0.000 0.985 140 E CA 0.934 57.553 56.400 0.365 0.000 0.814 140 E CB -0.210 29.811 29.700 0.535 0.000 0.752 140 E HN 0.678 nan 8.360 nan 0.000 0.466 141 W N 1.215 122.411 121.300 -0.173 0.000 2.355 141 W HA -0.164 4.495 4.660 -0.000 0.000 0.309 141 W C 1.999 178.344 176.519 -0.289 0.000 1.206 141 W CA 0.854 57.685 57.345 -0.857 0.000 1.284 141 W CB -0.689 28.256 29.460 -0.858 0.000 1.145 141 W HN -0.168 nan 8.180 nan 0.000 0.502 142 V N 0.526 120.378 119.914 -0.104 0.000 2.343 142 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 142 V C 2.311 178.451 176.094 0.076 0.000 1.051 142 V CA 2.413 64.576 62.300 -0.227 0.000 1.036 142 V CB -0.907 30.679 31.823 -0.395 0.000 0.654 142 V HN 0.205 nan 8.190 nan 0.000 0.451 143 E N -0.708 119.551 120.200 0.099 0.000 2.047 143 E HA -0.270 4.080 4.350 -0.000 0.000 0.191 143 E C 2.215 178.856 176.600 0.069 0.000 0.987 143 E CA 1.556 57.873 56.400 -0.138 0.000 0.799 143 E CB -0.282 29.291 29.700 -0.213 0.000 0.752 143 E HN 0.679 nan 8.360 nan 0.000 0.449 144 Y N 1.247 121.610 120.300 0.105 0.000 2.102 144 Y HA -0.270 4.280 4.550 -0.000 0.000 0.280 144 Y C 2.045 178.078 175.900 0.222 0.000 1.178 144 Y CA 2.233 60.460 58.100 0.212 0.000 1.146 144 Y CB -0.154 38.443 38.460 0.229 0.000 0.968 144 Y HN 0.061 nan 8.280 nan 0.000 0.504 145 I N -0.864 119.951 120.570 0.408 0.000 2.286 145 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 145 I C 2.107 178.408 176.117 0.306 0.000 1.104 145 I CA 1.948 63.528 61.300 0.467 0.000 1.397 145 I CB -0.419 37.817 38.000 0.394 0.000 1.072 145 I HN 0.411 nan 8.210 nan 0.000 0.417 146 T N -3.109 111.568 114.554 0.206 0.000 2.975 146 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 146 T C 0.293 175.093 174.700 0.167 0.000 1.003 146 T CA -0.298 61.921 62.100 0.199 0.000 0.932 146 T CB -0.177 68.846 68.868 0.260 0.000 1.087 146 T HN -0.025 nan 8.240 nan 0.000 0.512 147 F N 4.487 124.348 119.950 -0.149 0.000 2.412 147 F HA 0.415 4.942 4.527 -0.000 0.000 0.348 147 F C 0.642 176.363 175.800 -0.131 0.000 1.102 147 F CA -1.700 56.156 58.000 -0.240 0.000 1.196 147 F CB 1.277 39.956 39.000 -0.535 0.000 1.144 147 F HN 0.125 nan 8.300 nan 0.000 0.541 148 D N 1.747 121.673 120.400 -0.790 0.000 2.398 148 D HA 0.191 4.831 4.640 -0.000 0.000 0.210 148 D C 0.919 176.750 176.300 -0.782 0.000 1.094 148 D CA 0.186 53.825 54.000 -0.601 0.000 0.839 148 D CB -0.305 40.302 40.800 -0.322 0.000 0.963 148 D HN 0.559 nan 8.370 nan 0.000 0.506 149 G N -0.080 107.770 108.800 -1.583 0.000 2.641 149 G HA2 0.388 4.347 3.960 -0.000 0.000 0.239 149 G HA3 0.388 4.347 3.960 -0.000 0.000 0.239 149 G C -0.638 174.067 174.900 -0.326 0.000 1.402 149 G CA -0.713 43.883 45.100 -0.840 0.000 1.046 149 G HN 0.024 nan 8.290 nan 0.000 0.565 150 E N 0.108 120.320 120.200 0.018 0.000 2.109 150 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 150 E C -0.621 176.136 176.600 0.261 0.000 0.954 150 E CA -0.268 56.201 56.400 0.114 0.000 0.779 150 E CB 1.454 31.193 29.700 0.065 0.000 1.093 150 E HN 0.504 nan 8.360 nan 0.000 0.401 151 S N 1.617 117.468 115.700 0.251 0.000 2.588 151 S HA 0.365 4.835 4.470 -0.000 0.000 0.269 151 S C -2.513 172.190 174.600 0.171 0.000 1.157 151 S CA -1.380 56.938 58.200 0.196 0.000 0.824 151 S CB 1.735 65.036 63.200 0.168 0.000 1.126 151 S HN 0.060 nan 8.310 nan 0.000 0.464 152 P HA -0.126 nan 4.420 nan 0.000 0.216 152 P C 1.510 178.976 177.300 0.276 0.000 1.154 152 P CA 1.557 64.743 63.100 0.142 0.000 0.865 152 P CB -0.037 31.712 31.700 0.082 0.000 0.789 153 M N -1.356 118.441 119.600 0.328 0.000 2.123 153 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 153 M C 2.159 178.706 176.300 0.411 0.000 1.069 153 M CA 1.847 57.474 55.300 0.546 0.000 1.133 153 M CB -1.911 30.992 32.600 0.505 0.000 1.356 153 M HN -0.110 nan 8.290 nan 0.000 0.415 154 A N 0.687 123.661 122.820 0.257 0.000 1.930 154 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 154 A C 1.935 179.564 177.584 0.076 0.000 1.175 154 A CA 1.596 53.698 52.037 0.109 0.000 0.627 154 A CB -0.724 18.370 19.000 0.157 0.000 0.815 154 A HN 0.469 nan 8.150 nan 0.000 0.443 155 N N -1.120 117.673 118.700 0.155 0.000 2.166 155 N HA -0.181 4.559 4.740 -0.000 0.000 0.186 155 N C 1.335 176.992 175.510 0.244 0.000 1.019 155 N CA 1.371 54.507 53.050 0.144 0.000 0.856 155 N CB -0.507 38.060 38.487 0.133 0.000 0.993 155 N HN 0.761 nan 8.380 nan 0.000 0.426 156 W N 2.869 124.241 121.300 0.121 0.000 2.355 156 W HA 0.007 4.667 4.660 -0.000 0.000 0.309 156 W C 2.405 179.043 176.519 0.199 0.000 1.206 156 W CA 0.964 58.440 57.345 0.219 0.000 1.284 156 W CB -0.632 29.067 29.460 0.398 0.000 1.145 156 W HN 0.009 nan 8.180 nan 0.000 0.502 157 R N 0.449 120.942 120.500 -0.012 0.000 2.083 157 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 157 R C 2.389 178.657 176.300 -0.053 0.000 1.137 157 R CA 2.035 57.915 56.100 -0.367 0.000 0.951 157 R CB -0.488 29.305 30.300 -0.845 0.000 0.851 157 R HN 0.152 nan 8.270 nan 0.000 0.434 158 R N 0.354 120.824 120.500 -0.050 0.000 2.091 158 R HA -0.151 4.189 4.340 -0.000 0.000 0.238 158 R C 2.258 178.586 176.300 0.048 0.000 1.136 158 R CA 2.050 58.136 56.100 -0.023 0.000 0.959 158 R CB -0.282 30.002 30.300 -0.027 0.000 0.856 158 R HN 0.463 nan 8.270 nan 0.000 0.437 159 E N 0.427 120.699 120.200 0.119 0.000 2.153 159 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 159 E C 1.223 177.891 176.600 0.113 0.000 0.988 159 E CA 0.813 57.298 56.400 0.141 0.000 0.811 159 E CB -0.050 29.793 29.700 0.238 0.000 0.746 159 E HN 0.290 nan 8.360 nan 0.000 0.466 160 N N -0.492 118.267 118.700 0.100 0.000 2.449 160 N HA 0.015 4.754 4.740 -0.000 0.000 0.191 160 N C 0.745 176.241 175.510 -0.023 0.000 1.161 160 N CA 0.936 53.973 53.050 -0.022 0.000 0.863 160 N CB 1.198 39.582 38.487 -0.171 0.000 0.980 160 N HN 0.315 nan 8.380 nan 0.000 0.458 161 G N 0.576 109.416 108.800 0.066 0.000 2.184 161 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.206 161 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.206 161 G C 0.131 175.077 174.900 0.077 0.000 0.995 161 G CA -0.322 44.823 45.100 0.076 0.000 0.651 161 G HN 0.386 nan 8.290 nan 0.000 0.511 162 R N 0.634 121.152 120.500 0.029 0.000 2.412 162 R HA 0.662 5.002 4.340 -0.000 0.000 0.304 162 R C 0.834 176.959 176.300 -0.291 0.000 1.066 162 R CA -0.121 55.849 56.100 -0.216 0.000 0.923 162 R CB 1.065 31.009 30.300 -0.593 0.000 1.156 162 R HN 0.111 nan 8.270 nan 0.000 0.513 163 E N 3.508 123.577 120.200 -0.218 0.000 2.016 163 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 163 E C -0.391 176.065 176.600 -0.239 0.000 0.985 163 E CA 1.532 57.823 56.400 -0.182 0.000 0.802 163 E CB 0.138 29.766 29.700 -0.121 0.000 0.762 163 E HN 0.627 nan 8.360 nan 0.000 0.448 164 K N 0.999 121.240 120.400 -0.266 0.000 2.098 164 K HA 0.344 4.664 4.320 -0.000 0.000 0.257 164 K C -2.342 174.027 176.600 -0.385 0.000 0.999 164 K CA -1.966 54.163 56.287 -0.263 0.000 0.924 164 K CB 0.951 33.338 32.500 -0.189 0.000 1.028 164 K HN -0.072 nan 8.250 nan 0.000 0.466 165 P HA 0.009 nan 4.420 nan 0.000 0.272 165 P C -0.532 176.628 177.300 -0.232 0.000 1.240 165 P CA -0.322 62.614 63.100 -0.272 0.000 0.791 165 P CB 0.435 32.074 31.700 -0.102 0.000 0.978 166 W N 0.643 121.923 121.300 -0.034 0.000 2.298 166 W HA 0.290 4.950 4.660 -0.000 0.000 0.358 166 W C 0.907 177.433 176.519 0.011 0.000 1.241 166 W CA -0.136 57.198 57.345 -0.017 0.000 1.385 166 W CB 0.459 29.910 29.460 -0.015 0.000 1.225 166 W HN 0.173 nan 8.180 nan 0.000 0.654 167 R N 1.484 122.145 120.500 0.268 0.000 2.474 167 R HA 0.643 4.982 4.340 -0.000 0.000 0.295 167 R C -0.835 175.557 176.300 0.153 0.000 0.980 167 R CA -1.081 55.117 56.100 0.164 0.000 0.934 167 R CB 1.782 32.142 30.300 0.100 0.000 1.101 167 R HN 0.597 nan 8.270 nan 0.000 0.469 168 I N 0.940 121.586 120.570 0.127 0.000 2.722 168 I HA 0.227 4.397 4.170 -0.000 0.000 0.292 168 I C 0.068 176.216 176.117 0.051 0.000 1.267 168 I CA -0.335 61.034 61.300 0.116 0.000 1.036 168 I CB 2.018 40.147 38.000 0.214 0.000 1.281 168 I HN 0.477 nan 8.210 nan 0.000 0.423 169 K N 4.551 124.897 120.400 -0.090 0.000 2.157 169 K HA 0.173 4.493 4.320 -0.000 0.000 0.207 169 K C -0.599 175.872 176.600 -0.215 0.000 1.030 169 K CA 0.588 56.693 56.287 -0.303 0.000 0.965 169 K CB 0.014 32.035 32.500 -0.799 0.000 0.877 169 K HN 0.413 nan 8.250 nan 0.000 0.460 170 Y N 0.499 120.856 120.300 0.095 0.000 2.436 170 Y HA 0.055 4.604 4.550 -0.000 0.000 0.336 170 Y C -0.164 175.878 175.900 0.237 0.000 1.049 170 Y CA -0.444 57.662 58.100 0.010 0.000 1.294 170 Y CB 0.305 38.526 38.460 -0.398 0.000 1.179 170 Y HN 0.200 nan 8.280 nan 0.000 0.520 171 W N 4.293 125.733 121.300 0.234 0.000 2.587 171 W HA 0.528 5.187 4.660 -0.000 0.000 0.324 171 W C -0.622 176.081 176.519 0.308 0.000 1.008 171 W CA -1.318 56.172 57.345 0.242 0.000 1.265 171 W CB 1.986 31.523 29.460 0.129 0.000 1.328 171 W HN 0.685 nan 8.180 nan 0.000 0.432 172 G N 3.097 112.025 108.800 0.213 0.000 2.339 172 G HA2 0.401 4.361 3.960 -0.000 0.000 0.287 172 G HA3 0.401 4.361 3.960 -0.000 0.000 0.287 172 G C -0.908 174.139 174.900 0.245 0.000 1.163 172 G CA -0.407 44.868 45.100 0.293 0.000 0.872 172 G HN 0.252 nan 8.290 nan 0.000 0.464 173 V N 3.046 123.204 119.914 0.407 0.000 2.174 173 V HA 0.612 4.732 4.120 -0.000 0.000 0.259 173 V C 0.984 177.255 176.094 0.295 0.000 1.261 173 V CA 0.573 63.117 62.300 0.408 0.000 1.137 173 V CB -0.735 31.396 31.823 0.513 0.000 1.290 173 V HN 1.484 nan 8.190 nan 0.000 0.486 174 G N 3.441 112.313 108.800 0.120 0.000 2.719 174 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 174 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 174 G C -0.835 174.015 174.900 -0.083 0.000 1.201 174 G CA -0.210 44.898 45.100 0.015 0.000 0.768 174 G HN 0.981 nan 8.290 nan 0.000 0.629 175 N N 0.212 118.790 118.700 -0.203 0.000 2.258 175 N HA 0.543 5.283 4.740 -0.000 0.000 0.299 175 N C 0.540 175.745 175.510 -0.509 0.000 1.047 175 N CA -0.205 52.674 53.050 -0.285 0.000 0.814 175 N CB 1.104 39.474 38.487 -0.197 0.000 1.413 175 N HN 0.899 nan 8.380 nan 0.000 0.478 176 Q N 0.927 120.239 119.800 -0.813 0.000 2.423 176 Q HA -0.270 4.070 4.340 -0.000 0.000 0.332 176 Q C -0.363 174.765 176.000 -1.455 0.000 1.355 176 Q CA 0.617 55.450 55.803 -1.617 0.000 0.947 176 Q CB -1.676 26.336 28.738 -1.210 0.000 1.189 176 Q HN 0.719 nan 8.270 nan 0.000 0.418 177 N N -0.059 117.935 118.700 -1.177 0.000 2.459 177 N HA -0.109 4.631 4.740 -0.000 0.000 0.181 177 N C 1.298 176.591 175.510 -0.361 0.000 1.046 177 N CA 1.304 53.989 53.050 -0.608 0.000 0.904 177 N CB -0.031 38.170 38.487 -0.477 0.000 0.964 177 N HN 0.608 nan 8.380 nan 0.000 0.444 178 W N -0.154 120.951 121.300 -0.325 0.000 2.595 178 W HA 0.290 4.949 4.660 -0.000 0.000 0.257 178 W C 0.881 177.331 176.519 -0.116 0.000 1.267 178 W CA 0.426 57.646 57.345 -0.208 0.000 1.300 178 W CB -0.626 28.488 29.460 -0.576 0.000 1.120 178 W HN -0.028 nan 8.180 nan 0.000 0.618 179 G N 0.966 109.682 108.800 -0.140 0.000 2.844 179 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.204 179 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.204 179 G C 0.986 175.811 174.900 -0.125 0.000 1.815 179 G CA 0.622 45.716 45.100 -0.010 0.000 0.739 179 G HN 0.203 nan 8.290 nan 0.000 0.807 180 c N 1.096 119.591 118.600 -0.175 0.000 2.449 180 c HA 0.335 4.905 4.570 -0.000 0.000 0.283 180 c C 2.365 176.369 174.090 -0.144 0.000 1.453 180 c CA 0.708 56.969 56.329 -0.113 0.000 1.779 180 c CB -1.192 41.276 42.510 -0.069 0.000 1.779 180 c HN 0.540 nan 8.230 nan 0.000 0.546 181 G N -0.508 108.145 108.800 -0.245 0.000 3.379 181 G HA2 0.446 4.406 3.960 -0.000 0.000 0.253 181 G HA3 0.446 4.406 3.960 -0.000 0.000 0.253 181 G C 1.079 175.920 174.900 -0.099 0.000 1.262 181 G CA 0.566 45.545 45.100 -0.203 0.000 0.959 181 G HN 1.496 nan 8.290 nan 0.000 0.524 182 G N 0.050 108.826 108.800 -0.039 0.000 2.273 182 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.162 182 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.162 182 G C 0.313 175.275 174.900 0.104 0.000 1.006 182 G CA -0.161 44.973 45.100 0.057 0.000 0.704 182 G HN 0.509 nan 8.290 nan 0.000 0.487 183 N N -0.288 118.455 118.700 0.072 0.000 2.714 183 N HA -0.169 4.571 4.740 -0.000 0.000 0.252 183 N C 0.527 176.164 175.510 0.211 0.000 1.014 183 N CA 1.376 54.502 53.050 0.126 0.000 0.735 183 N CB -0.664 37.878 38.487 0.092 0.000 0.924 183 N HN 0.691 nan 8.380 nan 0.000 0.540 184 M N 0.345 120.122 119.600 0.295 0.000 2.249 184 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 184 M C 0.902 177.504 176.300 0.502 0.000 1.180 184 M CA -0.197 55.365 55.300 0.437 0.000 1.127 184 M CB 1.014 33.923 32.600 0.516 0.000 1.546 184 M HN 0.040 nan 8.290 nan 0.000 0.461 185 R N 0.943 121.686 120.500 0.404 0.000 2.643 185 R HA 0.182 4.522 4.340 -0.000 0.000 0.270 185 R C 1.131 177.566 176.300 0.224 0.000 1.061 185 R CA 0.034 56.337 56.100 0.339 0.000 1.107 185 R CB 0.434 30.870 30.300 0.227 0.000 0.999 185 R HN 0.936 nan 8.270 nan 0.000 0.460 186 A N 3.062 125.859 122.820 -0.038 0.000 1.917 186 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 186 A C 1.738 179.115 177.584 -0.345 0.000 1.182 186 A CA 1.768 53.340 52.037 -0.774 0.000 0.633 186 A CB -0.301 18.185 19.000 -0.856 0.000 0.819 186 A HN 0.811 nan 8.150 nan 0.000 0.448 187 E N -1.648 118.493 120.200 -0.098 0.000 2.110 187 E HA -0.167 4.182 4.350 -0.000 0.000 0.193 187 E C 1.797 178.434 176.600 0.061 0.000 0.988 187 E CA 1.477 57.860 56.400 -0.028 0.000 0.804 187 E CB -0.418 29.307 29.700 0.042 0.000 0.745 187 E HN 0.797 nan 8.360 nan 0.000 0.458 188 Y N -0.360 119.946 120.300 0.010 0.000 2.184 188 Y HA -0.208 4.342 4.550 -0.000 0.000 0.290 188 Y C 2.138 178.083 175.900 0.075 0.000 1.129 188 Y CA 1.242 59.374 58.100 0.053 0.000 1.144 188 Y CB -0.659 37.858 38.460 0.096 0.000 0.995 188 Y HN 0.139 nan 8.280 nan 0.000 0.513 189 Y N 0.728 120.971 120.300 -0.095 0.000 2.165 189 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 189 Y C 2.425 178.266 175.900 -0.099 0.000 1.155 189 Y CA 1.846 59.868 58.100 -0.129 0.000 1.164 189 Y CB -0.877 37.634 38.460 0.085 0.000 0.978 189 Y HN 0.162 nan 8.280 nan 0.000 0.513 190 A N 0.158 122.820 122.820 -0.263 0.000 1.940 190 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 190 A C 1.982 179.438 177.584 -0.213 0.000 1.176 190 A CA 2.083 53.964 52.037 -0.260 0.000 0.631 190 A CB -0.837 18.055 19.000 -0.180 0.000 0.814 190 A HN 0.564 nan 8.150 nan 0.000 0.446 191 D N -0.040 120.248 120.400 -0.187 0.000 2.117 191 D HA -0.089 4.551 4.640 -0.000 0.000 0.198 191 D C 2.007 178.191 176.300 -0.193 0.000 0.982 191 D CA 0.991 54.899 54.000 -0.152 0.000 0.828 191 D CB -0.299 40.459 40.800 -0.069 0.000 0.967 191 D HN 0.454 nan 8.370 nan 0.000 0.464 192 L N -0.122 120.927 121.223 -0.289 0.000 2.056 192 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 192 L C 2.504 179.310 176.870 -0.107 0.000 1.078 192 L CA 0.922 55.668 54.840 -0.156 0.000 0.749 192 L CB -0.546 41.383 42.059 -0.218 0.000 0.901 192 L HN 0.064 nan 8.230 nan 0.000 0.433 193 Y N 1.290 121.286 120.300 -0.508 0.000 2.081 193 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 193 Y C 2.793 178.587 175.900 -0.178 0.000 1.163 193 Y CA 1.720 59.568 58.100 -0.421 0.000 1.135 193 Y CB -0.267 37.815 38.460 -0.630 0.000 0.970 193 Y HN -0.031 nan 8.280 nan 0.000 0.498 194 R N -0.150 120.178 120.500 -0.287 0.000 2.105 194 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 194 R C 2.495 178.548 176.300 -0.412 0.000 1.135 194 R CA 1.835 57.664 56.100 -0.451 0.000 0.967 194 R CB -0.378 29.643 30.300 -0.466 0.000 0.861 194 R HN 0.552 nan 8.270 nan 0.000 0.442 195 Q N -0.069 119.593 119.800 -0.230 0.000 2.020 195 Q HA -0.139 4.201 4.340 -0.000 0.000 0.198 195 Q C 1.773 177.743 176.000 -0.050 0.000 0.974 195 Q CA 1.425 57.155 55.803 -0.123 0.000 0.829 195 Q CB -0.079 28.614 28.738 -0.075 0.000 0.894 195 Q HN 0.226 nan 8.270 nan 0.000 0.433 196 F N 1.465 121.328 119.950 -0.144 0.000 2.065 196 F HA -0.313 4.213 4.527 -0.000 0.000 0.298 196 F C 2.693 178.424 175.800 -0.115 0.000 1.112 196 F CA 1.864 59.827 58.000 -0.061 0.000 1.212 196 F CB -0.421 38.548 39.000 -0.052 0.000 0.975 196 F HN 0.336 nan 8.300 nan 0.000 0.476 197 Q N -0.087 119.613 119.800 -0.168 0.000 2.181 197 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 197 Q C 1.594 177.473 176.000 -0.202 0.000 0.980 197 Q CA 2.304 57.955 55.803 -0.253 0.000 0.862 197 Q CB -1.715 26.685 28.738 -0.564 0.000 0.905 197 Q HN 0.259 nan 8.270 nan 0.000 0.429 198 T N -0.063 114.331 114.554 -0.267 0.000 2.737 198 T HA -0.176 4.174 4.350 -0.000 0.000 0.269 198 T C 0.464 174.848 174.700 -0.527 0.000 1.040 198 T CA 1.734 63.584 62.100 -0.416 0.000 1.142 198 T CB -0.349 68.169 68.868 -0.583 0.000 0.861 198 T HN 0.494 nan 8.240 nan 0.000 0.456 199 Y N 0.398 120.617 120.300 -0.135 0.000 2.468 199 Y HA 0.396 4.946 4.550 -0.000 0.000 0.268 199 Y C 0.461 176.291 175.900 -0.117 0.000 1.177 199 Y CA -0.358 57.673 58.100 -0.116 0.000 1.265 199 Y CB -0.175 38.220 38.460 -0.108 0.000 1.103 199 Y HN 0.107 nan 8.280 nan 0.000 0.522 200 L N 2.639 123.819 121.223 -0.071 0.000 2.302 200 L HA 0.345 4.684 4.340 -0.000 0.000 0.285 200 L C -0.064 176.672 176.870 -0.224 0.000 1.090 200 L CA -0.502 54.236 54.840 -0.169 0.000 0.866 200 L CB 0.114 42.022 42.059 -0.251 0.000 1.244 200 L HN 0.001 nan 8.230 nan 0.000 0.435 201 R N 1.679 122.000 120.500 -0.299 0.000 2.528 201 R HA 0.308 4.648 4.340 -0.000 0.000 0.271 201 R C -0.345 175.650 176.300 -0.508 0.000 1.056 201 R CA -0.835 54.961 56.100 -0.508 0.000 1.117 201 R CB 0.529 30.289 30.300 -0.900 0.000 1.085 201 R HN 0.359 nan 8.270 nan 0.000 0.530 202 N N 1.840 120.300 118.700 -0.400 0.000 2.437 202 N HA 0.163 4.902 4.740 -0.000 0.000 0.243 202 N C -0.971 174.392 175.510 -0.245 0.000 1.041 202 N CA -0.012 52.902 53.050 -0.226 0.000 0.940 202 N CB 0.307 38.727 38.487 -0.112 0.000 1.133 202 N HN 0.309 nan 8.380 nan 0.000 0.506 203 Y N 0.604 120.942 120.300 0.064 0.000 2.361 203 Y HA 0.503 5.052 4.550 -0.000 0.000 0.332 203 Y C 1.607 177.577 175.900 0.117 0.000 1.101 203 Y CA 0.061 58.251 58.100 0.149 0.000 1.137 203 Y CB 1.130 39.763 38.460 0.289 0.000 1.207 203 Y HN 0.708 nan 8.280 nan 0.000 0.463 204 G N 2.164 111.124 108.800 0.267 0.000 2.591 204 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.298 204 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.298 204 G C 0.386 175.337 174.900 0.085 0.000 1.195 204 G CA 0.637 45.817 45.100 0.133 0.000 0.989 204 G HN 0.633 nan 8.290 nan 0.000 0.551 205 D N 1.430 121.867 120.400 0.062 0.000 2.349 205 D HA 0.127 4.767 4.640 -0.000 0.000 0.214 205 D C 0.951 177.279 176.300 0.046 0.000 1.063 205 D CA 0.010 54.036 54.000 0.043 0.000 0.847 205 D CB -0.129 40.688 40.800 0.029 0.000 0.933 205 D HN 0.306 nan 8.370 nan 0.000 0.513 206 N N 1.598 120.338 118.700 0.068 0.000 2.518 206 N HA -0.001 4.739 4.740 -0.000 0.000 0.266 206 N C -0.528 175.004 175.510 0.037 0.000 1.196 206 N CA 0.284 53.373 53.050 0.064 0.000 0.947 206 N CB 0.479 39.029 38.487 0.105 0.000 1.098 206 N HN -0.319 nan 8.380 nan 0.000 0.450 207 K N 3.520 123.936 120.400 0.026 0.000 2.535 207 K HA 0.311 4.631 4.320 -0.000 0.000 0.253 207 K C -0.684 175.932 176.600 0.026 0.000 0.953 207 K CA -0.481 55.818 56.287 0.021 0.000 0.863 207 K CB 1.259 33.777 32.500 0.030 0.000 1.111 207 K HN 0.534 nan 8.250 nan 0.000 0.431 208 L N 2.199 123.438 121.223 0.027 0.000 2.417 208 L HA 0.171 4.510 4.340 -0.000 0.000 0.268 208 L C 0.707 177.657 176.870 0.134 0.000 1.158 208 L CA -0.235 54.643 54.840 0.064 0.000 0.819 208 L CB 0.395 42.467 42.059 0.021 0.000 1.112 208 L HN 0.481 nan 8.230 nan 0.000 0.458 209 H N 4.023 123.119 119.070 0.043 0.000 2.697 209 H HA 0.259 4.815 4.556 -0.000 0.000 0.270 209 H C -0.882 174.568 175.328 0.203 0.000 1.188 209 H CA -0.715 55.384 56.048 0.084 0.000 1.322 209 H CB 0.652 30.341 29.762 -0.122 0.000 1.405 209 H HN 0.526 nan 8.280 nan 0.000 0.502 210 K N 5.143 125.661 120.400 0.198 0.000 2.322 210 K HA 0.298 4.618 4.320 -0.000 0.000 0.283 210 K C -0.096 176.697 176.600 0.322 0.000 1.042 210 K CA -0.126 56.351 56.287 0.317 0.000 0.958 210 K CB 1.313 34.001 32.500 0.312 0.000 0.984 210 K HN 0.451 nan 8.250 nan 0.000 0.473 211 I N 2.807 123.606 120.570 0.381 0.000 2.382 211 I HA 0.240 4.410 4.170 -0.000 0.000 0.286 211 I C -0.074 176.217 176.117 0.290 0.000 1.002 211 I CA -0.708 60.763 61.300 0.285 0.000 1.135 211 I CB 1.751 39.901 38.000 0.249 0.000 1.288 211 I HN 0.639 nan 8.210 nan 0.000 0.448 212 A N 5.210 128.075 122.820 0.076 0.000 2.354 212 A HA 0.269 4.589 4.320 -0.000 0.000 0.269 212 A C 0.059 177.729 177.584 0.143 0.000 1.109 212 A CA -0.367 51.621 52.037 -0.082 0.000 0.800 212 A CB 0.706 19.334 19.000 -0.620 0.000 1.045 212 A HN 0.899 nan 8.150 nan 0.000 0.489 213 C N 3.142 122.591 119.300 0.250 0.000 2.633 213 C HA 0.525 4.985 4.460 -0.000 0.000 0.415 213 C C 1.142 176.254 174.990 0.203 0.000 1.393 213 C CA 0.380 59.408 59.018 0.016 0.000 1.700 213 C CB -1.488 25.997 27.740 -0.426 0.000 2.541 213 C HN 0.996 nan 8.230 nan 0.000 0.603 214 G N 4.064 112.896 108.800 0.053 0.000 2.671 214 G HA2 0.687 4.647 3.960 -0.000 0.000 0.275 214 G HA3 0.687 4.647 3.960 -0.000 0.000 0.275 214 G C -0.230 174.504 174.900 -0.276 0.000 1.368 214 G CA 0.008 45.162 45.100 0.090 0.000 1.044 214 G HN 1.325 nan 8.290 nan 0.000 0.543 215 A N -0.435 122.193 122.820 -0.320 0.000 2.366 215 A HA 0.450 4.770 4.320 -0.000 0.000 0.249 215 A C 0.371 177.553 177.584 -0.670 0.000 1.084 215 A CA -0.255 51.407 52.037 -0.624 0.000 0.794 215 A CB 0.205 19.026 19.000 -0.298 0.000 1.034 215 A HN 0.643 nan 8.150 nan 0.000 0.491 216 N N 0.687 118.700 118.700 -1.144 0.000 2.419 216 N HA 0.384 5.124 4.740 -0.000 0.000 0.264 216 N C 0.741 175.971 175.510 -0.467 0.000 1.031 216 N CA 1.021 53.504 53.050 -0.944 0.000 0.951 216 N CB -0.160 37.212 38.487 -1.858 0.000 1.101 216 N HN 0.779 nan 8.380 nan 0.000 0.488 217 T N 2.684 117.144 114.554 -0.156 0.000 13.879 217 T HA -0.320 4.029 4.350 -0.000 0.000 0.418 217 T C 0.779 175.411 174.700 -0.113 0.000 1.442 217 T CA 2.204 64.298 62.100 -0.010 0.000 2.336 217 T CB -1.454 67.482 68.868 0.113 0.000 2.768 217 T HN 0.778 nan 8.240 nan 0.000 0.395 218 A N 1.457 124.155 122.820 -0.203 0.000 2.532 218 A HA 0.397 4.717 4.320 -0.000 0.000 0.273 218 A C 0.504 177.636 177.584 -0.752 0.000 1.342 218 A CA 0.326 52.020 52.037 -0.572 0.000 0.929 218 A CB -0.177 18.688 19.000 -0.224 0.000 1.051 218 A HN 0.590 nan 8.150 nan 0.000 0.521 219 D N -0.181 119.967 120.400 -0.419 0.000 2.551 219 D HA 0.162 4.801 4.640 -0.000 0.000 0.223 219 D C 0.423 176.707 176.300 -0.027 0.000 1.144 219 D CA -0.242 53.627 54.000 -0.218 0.000 1.025 219 D CB -0.292 40.373 40.800 -0.225 0.000 1.085 219 D HN 0.436 nan 8.370 nan 0.000 0.506 220 Y N 0.356 120.730 120.300 0.124 0.000 2.274 220 Y HA -0.135 4.414 4.550 -0.000 0.000 0.290 220 Y C 2.206 178.214 175.900 0.181 0.000 1.145 220 Y CA 1.063 59.208 58.100 0.075 0.000 1.203 220 Y CB -0.778 37.638 38.460 -0.072 0.000 0.984 220 Y HN 0.527 nan 8.280 nan 0.000 0.533 221 H N -0.785 118.421 119.070 0.226 0.000 2.387 221 H HA -0.245 4.311 4.556 -0.000 0.000 0.299 221 H C 2.160 177.601 175.328 0.188 0.000 1.099 221 H CA 2.048 58.202 56.048 0.176 0.000 1.315 221 H CB -0.500 29.342 29.762 0.133 0.000 1.380 221 H HN 0.473 nan 8.280 nan 0.000 0.513 222 W N 1.044 122.354 121.300 0.015 0.000 2.355 222 W HA -0.190 4.470 4.660 -0.000 0.000 0.309 222 W C 1.651 178.151 176.519 -0.032 0.000 1.206 222 W CA 2.122 59.445 57.345 -0.037 0.000 1.284 222 W CB -0.621 28.823 29.460 -0.025 0.000 1.145 222 W HN 0.232 nan 8.180 nan 0.000 0.502 223 T N 0.589 115.342 114.554 0.331 0.000 2.684 223 T HA -0.304 4.046 4.350 -0.000 0.000 0.267 223 T C 1.572 176.305 174.700 0.054 0.000 1.036 223 T CA 2.108 64.355 62.100 0.246 0.000 1.148 223 T CB -0.494 68.632 68.868 0.430 0.000 0.863 223 T HN 0.341 nan 8.240 nan 0.000 0.436 224 E N 0.523 120.750 120.200 0.044 0.000 2.058 224 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 224 E C 2.157 178.596 176.600 -0.267 0.000 0.997 224 E CA 1.336 57.713 56.400 -0.039 0.000 0.801 224 E CB -0.164 29.569 29.700 0.054 0.000 0.746 224 E HN 0.288 nan 8.360 nan 0.000 0.450 225 V N 1.274 120.976 119.914 -0.354 0.000 2.358 225 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 225 V C 2.480 178.361 176.094 -0.355 0.000 1.047 225 V CA 1.126 63.193 62.300 -0.389 0.000 1.035 225 V CB -0.429 31.099 31.823 -0.492 0.000 0.658 225 V HN 0.400 nan 8.190 nan 0.000 0.452 226 L N -0.889 120.120 121.223 -0.358 0.000 2.046 226 L HA -0.136 4.203 4.340 -0.000 0.000 0.208 226 L C 2.501 179.238 176.870 -0.222 0.000 1.077 226 L CA 1.938 56.620 54.840 -0.265 0.000 0.747 226 L CB -0.894 41.059 42.059 -0.177 0.000 0.896 226 L HN 0.340 nan 8.230 nan 0.000 0.432 227 M N -0.492 118.945 119.600 -0.271 0.000 2.099 227 M HA -0.203 4.277 4.480 -0.000 0.000 0.262 227 M C 2.182 178.152 176.300 -0.550 0.000 1.067 227 M CA 1.420 56.517 55.300 -0.339 0.000 1.124 227 M CB -1.007 31.412 32.600 -0.302 0.000 1.353 227 M HN 0.181 nan 8.290 nan 0.000 0.410 228 K N -0.198 119.716 120.400 -0.809 0.000 2.097 228 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 228 K C 1.878 178.338 176.600 -0.233 0.000 1.049 228 K CA 1.151 57.053 56.287 -0.642 0.000 0.933 228 K CB 0.252 32.455 32.500 -0.495 0.000 0.717 228 K HN 0.278 nan 8.250 nan 0.000 0.442 229 Q N -1.383 118.310 119.800 -0.179 0.000 2.373 229 Q HA 0.110 4.450 4.340 -0.000 0.000 0.210 229 Q C 1.025 177.063 176.000 0.063 0.000 0.913 229 Q CA 0.970 56.741 55.803 -0.053 0.000 0.911 229 Q CB 1.226 29.916 28.738 -0.080 0.000 1.040 229 Q HN 0.355 nan 8.270 nan 0.000 0.521 230 A N -0.498 122.347 122.820 0.042 0.000 2.600 230 A HA 0.541 4.861 4.320 -0.000 0.000 0.252 230 A C 1.777 179.460 177.584 0.165 0.000 1.200 230 A CA 0.649 52.827 52.037 0.236 0.000 0.981 230 A CB 0.118 19.203 19.000 0.142 0.000 1.207 230 A HN 0.152 nan 8.150 nan 0.000 0.577 231 A N 1.750 124.569 122.820 -0.001 0.000 1.927 231 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 231 A C -0.080 177.439 177.584 -0.109 0.000 1.185 231 A CA 2.304 54.313 52.037 -0.046 0.000 0.639 231 A CB -1.569 17.402 19.000 -0.049 0.000 0.820 231 A HN 0.407 nan 8.150 nan 0.000 0.451 232 P HA -0.043 nan 4.420 nan 0.000 0.228 232 P C 0.256 177.200 177.300 -0.595 0.000 1.151 232 P CA 0.790 63.571 63.100 -0.533 0.000 0.770 232 P CB -0.109 31.080 31.700 -0.852 0.000 0.786 233 F N -1.400 118.582 119.950 0.053 0.000 2.654 233 F HA 0.351 4.877 4.527 -0.000 0.000 0.303 233 F C 1.119 177.062 175.800 0.238 0.000 1.099 233 F CA -0.354 57.715 58.000 0.115 0.000 1.270 233 F CB -0.255 38.837 39.000 0.154 0.000 1.024 233 F HN -0.123 nan 8.300 nan 0.000 0.548 234 M N -2.520 117.221 119.600 0.236 0.000 2.619 234 M HA 0.490 4.969 4.480 -0.000 0.000 0.297 234 M C -0.434 175.901 176.300 0.058 0.000 1.229 234 M CA -0.521 54.900 55.300 0.201 0.000 0.860 234 M CB 2.297 34.931 32.600 0.056 0.000 1.741 234 M HN 0.070 nan 8.290 nan 0.000 0.462 235 H N -0.141 118.886 119.070 -0.072 0.000 2.885 235 H HA 0.529 5.085 4.556 -0.000 0.000 0.260 235 H C 0.066 175.304 175.328 -0.150 0.000 0.985 235 H CA -0.057 55.845 56.048 -0.244 0.000 1.210 235 H CB 1.011 30.361 29.762 -0.686 0.000 1.466 235 H HN 0.912 nan 8.280 nan 0.000 0.493 236 G N 0.514 109.380 108.800 0.109 0.000 2.690 236 G HA2 0.465 4.425 3.960 -0.000 0.000 0.293 236 G HA3 0.465 4.425 3.960 -0.000 0.000 0.293 236 G C -2.330 172.623 174.900 0.088 0.000 1.399 236 G CA -0.624 44.555 45.100 0.132 0.000 0.890 236 G HN 0.097 nan 8.290 nan 0.000 0.485 237 L N 1.283 122.550 121.223 0.072 0.000 2.436 237 L HA 0.742 5.082 4.340 -0.000 0.000 0.268 237 L C 0.453 177.353 176.870 0.050 0.000 0.974 237 L CA -0.582 54.292 54.840 0.058 0.000 0.826 237 L CB 1.937 44.027 42.059 0.052 0.000 1.291 237 L HN 0.828 nan 8.230 nan 0.000 0.406 238 S N 4.121 119.854 115.700 0.055 0.000 2.681 238 S HA 0.852 5.322 4.470 -0.000 0.000 0.270 238 S C -0.655 173.932 174.600 -0.022 0.000 1.209 238 S CA -0.621 57.606 58.200 0.044 0.000 0.988 238 S CB 1.574 64.831 63.200 0.095 0.000 1.006 238 S HN 0.836 nan 8.310 nan 0.000 0.558 239 L N 0.055 121.291 121.223 0.022 0.000 2.505 239 L HA 0.536 4.875 4.340 -0.000 0.000 0.259 239 L C -1.650 175.352 176.870 0.220 0.000 0.952 239 L CA -0.238 54.572 54.840 -0.050 0.000 0.840 239 L CB 1.881 43.849 42.059 -0.151 0.000 1.358 239 L HN 0.986 nan 8.230 nan 0.000 0.409 240 H N 3.918 122.970 119.070 -0.030 0.000 2.589 240 H HA 0.547 5.103 4.556 -0.000 0.000 0.351 240 H C -1.962 173.430 175.328 0.107 0.000 1.074 240 H CA -0.676 55.394 56.048 0.037 0.000 1.203 240 H CB 2.331 32.183 29.762 0.150 0.000 1.558 240 H HN 0.634 nan 8.280 nan 0.000 0.522 241 Y N 3.521 123.826 120.300 0.009 0.000 2.287 241 Y HA 0.198 4.748 4.550 -0.000 0.000 0.321 241 Y C -2.082 173.826 175.900 0.013 0.000 1.173 241 Y CA -0.886 57.247 58.100 0.056 0.000 1.124 241 Y CB 0.369 38.873 38.460 0.074 0.000 1.201 241 Y HN 0.511 nan 8.280 nan 0.000 0.421 242 Y N 3.164 123.288 120.300 -0.294 0.000 2.334 242 Y HA 0.450 5.000 4.550 -0.000 0.000 0.328 242 Y C 0.697 176.238 175.900 -0.598 0.000 1.130 242 Y CA -0.483 57.469 58.100 -0.245 0.000 1.163 242 Y CB 1.701 40.272 38.460 0.185 0.000 1.207 242 Y HN 0.500 nan 8.280 nan 0.000 0.471 243 T N 3.882 118.326 114.554 -0.184 0.000 2.739 243 T HA 0.377 4.727 4.350 -0.000 0.000 0.298 243 T C -0.588 174.084 174.700 -0.046 0.000 0.929 243 T CA -0.425 61.596 62.100 -0.132 0.000 1.014 243 T CB -0.327 68.518 68.868 -0.038 0.000 0.914 243 T HN 0.303 nan 8.240 nan 0.000 0.509 244 V N 7.869 127.779 119.914 -0.006 0.000 2.349 244 V HA 0.225 4.345 4.120 -0.000 0.000 0.284 244 V C -1.664 174.441 176.094 0.019 0.000 1.014 244 V CA -1.787 60.504 62.300 -0.014 0.000 0.826 244 V CB 1.421 33.241 31.823 -0.005 0.000 1.009 244 V HN 0.539 nan 8.190 nan 0.000 0.431 245 P HA -0.063 nan 4.420 nan 0.000 0.211 245 P C 0.991 178.314 177.300 0.039 0.000 1.179 245 P CA 1.386 64.515 63.100 0.048 0.000 0.910 245 P CB 0.223 31.961 31.700 0.065 0.000 0.785 246 G N -0.707 108.107 108.800 0.024 0.000 2.583 246 G HA2 0.422 4.382 3.960 -0.000 0.000 0.280 246 G HA3 0.422 4.382 3.960 -0.000 0.000 0.280 246 G C -2.477 172.432 174.900 0.015 0.000 1.376 246 G CA -1.302 43.810 45.100 0.020 0.000 1.043 246 G HN 0.021 nan 8.290 nan 0.000 0.538 247 P HA -0.098 nan 4.420 nan 0.000 0.270 247 P C 0.491 177.818 177.300 0.046 0.000 1.223 247 P CA -0.393 62.739 63.100 0.053 0.000 0.785 247 P CB 1.007 32.736 31.700 0.047 0.000 0.923 248 W N 1.584 122.826 121.300 -0.096 0.000 2.342 248 W HA -0.165 4.495 4.660 -0.000 0.000 0.297 248 W C 1.123 177.573 176.519 -0.115 0.000 1.213 248 W CA 1.634 58.886 57.345 -0.155 0.000 1.251 248 W CB -0.183 29.171 29.460 -0.177 0.000 1.136 248 W HN 0.396 nan 8.180 nan 0.000 0.526 249 E N -0.167 120.080 120.200 0.078 0.000 2.268 249 E HA -0.120 4.229 4.350 -0.000 0.000 0.195 249 E C 0.714 177.287 176.600 -0.045 0.000 0.995 249 E CA 1.045 57.462 56.400 0.027 0.000 0.836 249 E CB -0.115 29.621 29.700 0.060 0.000 0.763 249 E HN -0.021 nan 8.360 nan 0.000 0.491 250 K N 0.151 120.512 120.400 -0.064 0.000 2.984 250 K HA 0.172 4.492 4.320 -0.000 0.000 0.211 250 K C -0.198 176.362 176.600 -0.067 0.000 1.174 250 K CA -0.084 56.170 56.287 -0.056 0.000 0.978 250 K CB 0.221 32.713 32.500 -0.014 0.000 1.212 250 K HN -0.180 nan 8.250 nan 0.000 0.589 251 K N 0.696 121.020 120.400 -0.126 0.000 2.283 251 K HA 0.028 4.347 4.320 -0.000 0.000 0.202 251 K C 0.693 177.292 176.600 -0.002 0.000 1.048 251 K CA 0.790 57.013 56.287 -0.108 0.000 0.948 251 K CB 0.091 32.468 32.500 -0.205 0.000 0.742 251 K HN 0.750 nan 8.250 nan 0.000 0.458 252 G N 1.813 110.614 108.800 0.002 0.000 2.629 252 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.686 252 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.686 252 G C -3.141 171.753 174.900 -0.010 0.000 1.232 252 G CA -1.014 44.091 45.100 0.008 0.000 0.803 252 G HN -0.094 nan 8.290 nan 0.000 0.638 253 P HA 0.534 nan 4.420 nan 0.000 0.282 253 P C 0.732 177.827 177.300 -0.342 0.000 1.259 253 P CA 0.452 63.489 63.100 -0.104 0.000 0.826 253 P CB 1.707 33.385 31.700 -0.037 0.000 1.064 254 A N 1.676 124.259 122.820 -0.394 0.000 2.016 254 A HA 0.117 4.436 4.320 -0.000 0.000 0.217 254 A C 1.115 178.576 177.584 -0.205 0.000 1.162 254 A CA 1.544 53.184 52.037 -0.662 0.000 0.662 254 A CB -0.894 17.899 19.000 -0.345 0.000 0.812 254 A HN 0.721 nan 8.150 nan 0.000 0.450 255 T N -6.647 107.851 114.554 -0.092 0.000 2.887 255 T HA 0.534 4.884 4.350 -0.000 0.000 0.292 255 T C 0.712 175.350 174.700 -0.104 0.000 1.087 255 T CA 0.174 62.223 62.100 -0.084 0.000 1.009 255 T CB 1.218 69.877 68.868 -0.347 0.000 1.203 255 T HN 1.691 nan 8.240 nan 0.000 0.518 256 G N 1.020 109.649 108.800 -0.284 0.000 2.225 256 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.267 256 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.267 256 G C -0.110 174.666 174.900 -0.206 0.000 1.024 256 G CA 0.471 45.422 45.100 -0.247 0.000 0.784 256 G HN 1.274 nan 8.290 nan 0.000 0.507 257 F N 0.386 120.262 119.950 -0.125 0.000 2.370 257 F HA 0.800 5.327 4.527 -0.000 0.000 0.319 257 F C 0.921 176.664 175.800 -0.094 0.000 1.129 257 F CA -0.855 57.079 58.000 -0.109 0.000 1.109 257 F CB 0.054 38.973 39.000 -0.134 0.000 1.262 257 F HN 0.292 nan 8.300 nan 0.000 0.534 258 T N -2.546 112.113 114.554 0.175 0.000 2.788 258 T HA 0.231 4.581 4.350 -0.000 0.000 0.287 258 T C 1.293 176.076 174.700 0.137 0.000 1.007 258 T CA 0.058 62.207 62.100 0.082 0.000 1.005 258 T CB 0.996 69.919 68.868 0.093 0.000 1.012 258 T HN 0.926 nan 8.240 nan 0.000 0.530 259 T N -1.361 113.199 114.554 0.010 0.000 2.833 259 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 259 T C 1.300 176.105 174.700 0.175 0.000 1.054 259 T CA 1.273 63.346 62.100 -0.044 0.000 1.135 259 T CB -0.607 68.283 68.868 0.038 0.000 0.869 259 T HN 0.617 nan 8.240 nan 0.000 0.466 260 D N 1.681 122.241 120.400 0.266 0.000 2.117 260 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 260 D C 2.232 178.707 176.300 0.291 0.000 0.987 260 D CA 1.163 55.375 54.000 0.354 0.000 0.829 260 D CB -0.265 40.685 40.800 0.250 0.000 0.961 260 D HN 0.639 nan 8.370 nan 0.000 0.460 261 E N -0.034 120.291 120.200 0.208 0.000 2.150 261 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 261 E C 1.930 178.557 176.600 0.045 0.000 0.985 261 E CA 0.231 56.702 56.400 0.117 0.000 0.814 261 E CB -0.086 29.665 29.700 0.086 0.000 0.752 261 E HN 0.429 nan 8.360 nan 0.000 0.466 262 W N 0.872 122.118 121.300 -0.091 0.000 2.315 262 W HA -0.247 4.412 4.660 -0.000 0.000 0.323 262 W C 1.237 177.705 176.519 -0.085 0.000 1.233 262 W CA 1.535 58.755 57.345 -0.207 0.000 1.267 262 W CB -0.758 28.469 29.460 -0.388 0.000 1.160 262 W HN 0.162 nan 8.180 nan 0.000 0.474 263 W N 0.450 121.993 121.300 0.405 0.000 2.355 263 W HA -0.205 4.454 4.660 -0.000 0.000 0.309 263 W C 2.497 179.070 176.519 0.090 0.000 1.206 263 W CA 1.163 58.668 57.345 0.266 0.000 1.284 263 W CB -1.127 28.511 29.460 0.296 0.000 1.145 263 W HN -0.353 nan 8.180 nan 0.000 0.502 264 V N 0.365 120.461 119.914 0.302 0.000 2.343 264 V HA -0.311 3.809 4.120 -0.000 0.000 0.247 264 V C 2.089 178.233 176.094 0.084 0.000 1.051 264 V CA 2.349 64.750 62.300 0.168 0.000 1.036 264 V CB -1.393 30.510 31.823 0.132 0.000 0.654 264 V HN 0.225 nan 8.190 nan 0.000 0.451 265 T N 0.583 115.137 114.554 0.001 0.000 2.674 265 T HA -0.134 4.216 4.350 -0.000 0.000 0.265 265 T C 1.869 176.530 174.700 -0.064 0.000 1.039 265 T CA 1.644 63.704 62.100 -0.067 0.000 1.150 265 T CB -0.294 68.452 68.868 -0.204 0.000 0.864 265 T HN 0.315 nan 8.240 nan 0.000 0.427 266 L N 0.417 121.570 121.223 -0.116 0.000 2.093 266 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 266 L C 2.653 179.560 176.870 0.062 0.000 1.085 266 L CA 0.982 55.781 54.840 -0.069 0.000 0.755 266 L CB -0.491 41.510 42.059 -0.096 0.000 0.904 266 L HN 0.155 nan 8.230 nan 0.000 0.435 267 K N 1.187 121.656 120.400 0.115 0.000 2.009 267 K HA -0.186 4.134 4.320 -0.000 0.000 0.210 267 K C 2.018 178.702 176.600 0.141 0.000 1.049 267 K CA 1.694 58.059 56.287 0.130 0.000 0.929 267 K CB -0.113 32.466 32.500 0.132 0.000 0.714 267 K HN 0.093 nan 8.250 nan 0.000 0.440 268 K N -0.343 120.141 120.400 0.140 0.000 2.097 268 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 268 K C 2.096 178.906 176.600 0.350 0.000 1.049 268 K CA 1.082 57.502 56.287 0.222 0.000 0.933 268 K CB -0.201 32.404 32.500 0.175 0.000 0.717 268 K HN 0.250 nan 8.250 nan 0.000 0.442 269 A N 1.577 124.525 122.820 0.213 0.000 1.902 269 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 269 A C 2.036 179.733 177.584 0.189 0.000 1.181 269 A CA 1.230 53.389 52.037 0.203 0.000 0.623 269 A CB -0.629 18.412 19.000 0.068 0.000 0.818 269 A HN 0.179 nan 8.150 nan 0.000 0.443 270 L N -1.607 119.699 121.223 0.138 0.000 2.362 270 L HA -0.109 4.230 4.340 -0.000 0.000 0.219 270 L C 2.249 179.193 176.870 0.124 0.000 1.134 270 L CA 0.599 55.492 54.840 0.089 0.000 0.807 270 L CB -0.472 41.639 42.059 0.087 0.000 0.927 270 L HN 0.489 nan 8.230 nan 0.000 0.447 271 F N 0.810 120.770 119.950 0.018 0.000 2.408 271 F HA -0.251 4.276 4.527 -0.000 0.000 0.300 271 F C 2.295 177.970 175.800 -0.209 0.000 1.090 271 F CA 1.102 59.055 58.000 -0.078 0.000 1.427 271 F CB -0.121 38.833 39.000 -0.077 0.000 1.070 271 F HN 0.077 nan 8.300 nan 0.000 0.549 272 M N 0.628 120.098 119.600 -0.217 0.000 2.195 272 M HA -0.235 4.245 4.480 -0.000 0.000 0.260 272 M C 1.770 177.887 176.300 -0.306 0.000 1.066 272 M CA 2.148 57.264 55.300 -0.306 0.000 1.089 272 M CB -0.801 31.705 32.600 -0.157 0.000 1.377 272 M HN 0.193 nan 8.290 nan 0.000 0.411 273 D N -0.607 119.671 120.400 -0.203 0.000 2.097 273 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 273 D C 2.150 178.339 176.300 -0.186 0.000 0.989 273 D CA 1.594 55.520 54.000 -0.124 0.000 0.827 273 D CB -0.216 40.584 40.800 0.001 0.000 0.966 273 D HN 0.455 nan 8.370 nan 0.000 0.456 274 R N -0.165 120.197 120.500 -0.231 0.000 2.073 274 R HA -0.097 4.243 4.340 -0.000 0.000 0.234 274 R C 2.473 178.575 176.300 -0.331 0.000 1.134 274 R CA 1.060 57.016 56.100 -0.240 0.000 0.952 274 R CB -0.363 29.828 30.300 -0.180 0.000 0.850 274 R HN 0.262 nan 8.270 nan 0.000 0.433 275 L N 0.163 121.047 121.223 -0.566 0.000 1.989 275 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 275 L C 2.513 179.337 176.870 -0.077 0.000 1.071 275 L CA 1.306 55.942 54.840 -0.341 0.000 0.749 275 L CB -0.491 41.253 42.059 -0.525 0.000 0.890 275 L HN 0.108 nan 8.230 nan 0.000 0.431 276 V N -0.648 119.146 119.914 -0.201 0.000 2.343 276 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 276 V C 2.558 178.499 176.094 -0.255 0.000 1.051 276 V CA 2.266 64.436 62.300 -0.216 0.000 1.036 276 V CB -0.646 30.946 31.823 -0.384 0.000 0.654 276 V HN 0.497 nan 8.190 nan 0.000 0.451 277 T N -0.296 114.074 114.554 -0.307 0.000 2.652 277 T HA -0.231 4.119 4.350 -0.000 0.000 0.267 277 T C 1.945 176.582 174.700 -0.105 0.000 1.039 277 T CA 1.703 63.710 62.100 -0.155 0.000 1.153 277 T CB -0.203 68.630 68.868 -0.058 0.000 0.863 277 T HN 0.465 nan 8.240 nan 0.000 0.428 278 K N -0.176 120.130 120.400 -0.156 0.000 2.103 278 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 278 K C 2.349 178.815 176.600 -0.223 0.000 1.052 278 K CA 0.858 56.972 56.287 -0.287 0.000 0.945 278 K CB -0.133 32.027 32.500 -0.567 0.000 0.722 278 K HN 0.450 nan 8.250 nan 0.000 0.443 279 H N 0.224 119.329 119.070 0.058 0.000 2.357 279 H HA 0.004 4.560 4.556 -0.000 0.000 0.301 279 H C 2.224 177.581 175.328 0.049 0.000 1.082 279 H CA 1.242 57.361 56.048 0.118 0.000 1.342 279 H CB 0.110 29.936 29.762 0.107 0.000 1.389 279 H HN 0.092 nan 8.280 nan 0.000 0.511 280 S N 0.685 116.450 115.700 0.110 0.000 2.382 280 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 280 S C 2.469 177.100 174.600 0.052 0.000 1.027 280 S CA 0.834 59.077 58.200 0.072 0.000 0.991 280 S CB -0.238 62.990 63.200 0.046 0.000 0.823 280 S HN 0.524 nan 8.310 nan 0.000 0.469 281 A N 1.359 124.183 122.820 0.008 0.000 1.940 281 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 281 A C 2.067 179.651 177.584 0.001 0.000 1.176 281 A CA 1.268 53.295 52.037 -0.016 0.000 0.631 281 A CB -0.672 18.287 19.000 -0.068 0.000 0.814 281 A HN 0.490 nan 8.150 nan 0.000 0.446 282 I N -0.764 119.825 120.570 0.032 0.000 2.252 282 I HA -0.277 3.892 4.170 -0.000 0.000 0.245 282 I C 2.687 178.914 176.117 0.184 0.000 1.102 282 I CA 1.402 62.764 61.300 0.104 0.000 1.385 282 I CB -0.287 37.807 38.000 0.157 0.000 1.064 282 I HN 0.331 nan 8.210 nan 0.000 0.414 283 M N 0.016 119.717 119.600 0.167 0.000 2.149 283 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 283 M C 1.711 178.087 176.300 0.127 0.000 1.064 283 M CA 1.573 56.976 55.300 0.173 0.000 1.102 283 M CB -0.656 32.022 32.600 0.130 0.000 1.369 283 M HN 0.170 nan 8.290 nan 0.000 0.408 284 D N 0.352 120.793 120.400 0.069 0.000 2.149 284 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 284 D C 2.103 178.390 176.300 -0.021 0.000 0.990 284 D CA 1.218 55.233 54.000 0.026 0.000 0.839 284 D CB -0.363 40.442 40.800 0.008 0.000 0.948 284 D HN 0.177 nan 8.370 nan 0.000 0.460 285 V N 0.059 119.926 119.914 -0.078 0.000 2.343 285 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 285 V C 1.776 177.672 176.094 -0.330 0.000 1.051 285 V CA 1.498 63.643 62.300 -0.259 0.000 1.036 285 V CB -0.517 31.049 31.823 -0.429 0.000 0.654 285 V HN 0.228 nan 8.190 nan 0.000 0.451 286 Y N -1.056 119.244 120.300 0.000 0.000 2.497 286 Y HA 0.246 4.796 4.550 -0.000 0.000 0.265 286 Y C 0.996 176.890 175.900 -0.010 0.000 1.111 286 Y CA 0.370 58.467 58.100 -0.006 0.000 1.288 286 Y CB 0.419 38.877 38.460 -0.004 0.000 1.082 286 Y HN 0.304 nan 8.280 nan 0.000 0.536 287 D N -0.251 120.217 120.400 0.115 0.000 2.846 287 D HA 0.173 4.813 4.640 -0.000 0.000 0.279 287 D C -2.254 174.071 176.300 0.041 0.000 1.222 287 D CA -1.979 52.063 54.000 0.070 0.000 0.769 287 D CB 0.786 41.634 40.800 0.080 0.000 1.299 287 D HN -0.105 nan 8.370 nan 0.000 0.537 288 P HA -0.071 nan 4.420 nan 0.000 0.220 288 P C 0.527 177.835 177.300 0.015 0.000 1.148 288 P CA 0.788 63.892 63.100 0.007 0.000 0.803 288 P CB 0.490 32.185 31.700 -0.009 0.000 0.782 289 D N 0.179 120.588 120.400 0.016 0.000 2.363 289 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 289 D C 0.536 176.855 176.300 0.033 0.000 0.994 289 D CA 0.363 54.374 54.000 0.019 0.000 0.890 289 D CB -0.361 40.446 40.800 0.012 0.000 0.906 289 D HN 0.199 nan 8.370 nan 0.000 0.530 290 K N -0.310 120.114 120.400 0.041 0.000 3.117 290 K HA -0.265 4.055 4.320 -0.000 0.000 0.269 290 K C 1.127 177.770 176.600 0.071 0.000 1.098 290 K CA 0.334 56.655 56.287 0.057 0.000 0.785 290 K CB -1.211 31.324 32.500 0.058 0.000 1.242 290 K HN 0.157 nan 8.250 nan 0.000 0.491 291 R N 1.069 121.604 120.500 0.059 0.000 2.081 291 R HA -0.022 4.318 4.340 -0.000 0.000 0.235 291 R C 0.759 177.140 176.300 0.135 0.000 1.131 291 R CA 1.148 57.290 56.100 0.070 0.000 0.960 291 R CB 0.101 30.398 30.300 -0.005 0.000 0.856 291 R HN 0.324 nan 8.270 nan 0.000 0.436 292 I N 2.738 123.370 120.570 0.104 0.000 2.416 292 I HA 0.020 4.189 4.170 -0.000 0.000 0.288 292 I C -0.476 175.724 176.117 0.138 0.000 1.051 292 I CA -0.560 60.821 61.300 0.135 0.000 1.375 292 I CB 1.065 39.110 38.000 0.075 0.000 1.407 292 I HN 0.104 nan 8.210 nan 0.000 0.516 293 D N 6.041 126.544 120.400 0.171 0.000 2.372 293 D HA 0.200 4.839 4.640 -0.000 0.000 0.243 293 D C -0.306 176.038 176.300 0.074 0.000 1.121 293 D CA -0.273 53.798 54.000 0.118 0.000 0.898 293 D CB 1.303 42.183 40.800 0.133 0.000 1.202 293 D HN 0.129 nan 8.370 nan 0.000 0.428 294 L N 2.375 123.619 121.223 0.036 0.000 2.275 294 L HA 0.405 4.745 4.340 -0.000 0.000 0.288 294 L C -0.788 176.053 176.870 -0.050 0.000 1.046 294 L CA -0.185 54.657 54.840 0.003 0.000 0.805 294 L CB 0.530 42.589 42.059 -0.000 0.000 1.193 294 L HN 0.309 nan 8.230 nan 0.000 0.426 295 I N 6.111 126.653 120.570 -0.047 0.000 2.420 295 I HA 0.237 4.407 4.170 -0.000 0.000 0.282 295 I C -0.578 175.501 176.117 -0.063 0.000 1.019 295 I CA -0.723 60.530 61.300 -0.079 0.000 1.130 295 I CB 1.750 39.728 38.000 -0.037 0.000 1.262 295 I HN 0.223 nan 8.210 nan 0.000 0.454 296 V N 5.565 125.380 119.914 -0.164 0.000 2.222 296 V HA 0.037 4.156 4.120 -0.000 0.000 0.253 296 V C 0.631 176.731 176.094 0.010 0.000 1.210 296 V CA -0.280 61.964 62.300 -0.094 0.000 1.079 296 V CB -0.217 31.455 31.823 -0.252 0.000 1.265 296 V HN 0.770 nan 8.190 nan 0.000 0.494 297 D N 1.509 121.929 120.400 0.032 0.000 2.328 297 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 297 D C 0.309 176.406 176.300 -0.339 0.000 1.072 297 D CA 0.033 53.996 54.000 -0.061 0.000 0.850 297 D CB 0.365 41.179 40.800 0.023 0.000 0.922 297 D HN 0.603 nan 8.370 nan 0.000 0.516 298 E N 0.459 120.433 120.200 -0.376 0.000 2.294 298 E HA 0.364 4.713 4.350 -0.000 0.000 0.272 298 E C -1.072 175.337 176.600 -0.317 0.000 0.896 298 E CA -0.904 55.205 56.400 -0.485 0.000 0.802 298 E CB 1.890 31.073 29.700 -0.862 0.000 1.267 298 E HN 0.305 nan 8.360 nan 0.000 0.406 299 W N 1.876 122.938 121.300 -0.397 0.000 3.066 299 W HA 0.764 5.424 4.660 -0.000 0.000 0.330 299 W C -0.542 175.868 176.519 -0.183 0.000 1.253 299 W CA -0.493 56.646 57.345 -0.343 0.000 1.187 299 W CB 0.710 30.157 29.460 -0.021 0.000 1.434 299 W HN 0.796 nan 8.180 nan 0.000 0.572 300 G N 0.891 109.739 108.800 0.081 0.000 2.353 300 G HA2 0.366 4.326 3.960 -0.000 0.000 0.424 300 G HA3 0.366 4.326 3.960 -0.000 0.000 0.424 300 G C -0.714 174.208 174.900 0.037 0.000 1.320 300 G CA -0.284 44.777 45.100 -0.066 0.000 0.995 300 G HN 1.177 nan 8.290 nan 0.000 0.580 301 T N -1.978 112.501 114.554 -0.125 0.000 2.904 301 T HA 0.576 4.926 4.350 -0.000 0.000 0.290 301 T C -0.637 173.835 174.700 -0.381 0.000 1.018 301 T CA -0.263 61.648 62.100 -0.315 0.000 1.075 301 T CB 1.967 70.480 68.868 -0.593 0.000 0.986 301 T HN 1.291 nan 8.240 nan 0.000 0.523 302 W N 3.902 124.812 121.300 -0.650 0.000 2.687 302 W HA 0.493 5.153 4.660 -0.000 0.000 0.328 302 W C -2.346 173.816 176.519 -0.595 0.000 1.012 302 W CA -1.987 55.019 57.345 -0.565 0.000 1.262 302 W CB 0.815 30.005 29.460 -0.450 0.000 1.331 302 W HN 0.755 nan 8.180 nan 0.000 0.433 303 Y N 2.278 122.653 120.300 0.125 0.000 2.654 303 Y HA 0.368 4.918 4.550 -0.000 0.000 0.327 303 Y C 1.005 176.922 175.900 0.028 0.000 1.122 303 Y CA -0.852 57.252 58.100 0.007 0.000 1.227 303 Y CB 0.463 38.886 38.460 -0.063 0.000 1.370 303 Y HN 0.138 nan 8.280 nan 0.000 0.528 304 D N 0.730 121.213 120.400 0.139 0.000 2.400 304 D HA 0.208 4.848 4.640 -0.000 0.000 0.238 304 D C -0.024 176.327 176.300 0.085 0.000 1.157 304 D CA 0.030 54.066 54.000 0.060 0.000 0.889 304 D CB 0.991 41.800 40.800 0.016 0.000 1.199 304 D HN 0.386 nan 8.370 nan 0.000 0.436 305 V N -0.577 119.383 119.914 0.076 0.000 3.051 305 V HA 0.106 4.226 4.120 -0.000 0.000 0.306 305 V C 0.626 176.768 176.094 0.080 0.000 1.083 305 V CA -0.774 61.578 62.300 0.087 0.000 1.104 305 V CB 0.554 32.448 31.823 0.117 0.000 1.027 305 V HN 0.281 nan 8.190 nan 0.000 0.483 306 E N 2.598 122.866 120.200 0.114 0.000 2.481 306 E HA 0.143 4.493 4.350 -0.000 0.000 0.263 306 E C -2.318 174.334 176.600 0.087 0.000 0.992 306 E CA -1.566 54.901 56.400 0.111 0.000 0.938 306 E CB -0.264 29.568 29.700 0.220 0.000 0.933 306 E HN 0.653 nan 8.360 nan 0.000 0.453 307 P HA 0.019 nan 4.420 nan 0.000 0.264 307 P C 0.774 178.092 177.300 0.030 0.000 1.193 307 P CA 1.094 64.214 63.100 0.033 0.000 0.763 307 P CB 0.475 32.188 31.700 0.022 0.000 0.810 308 G N 1.636 110.445 108.800 0.016 0.000 2.217 308 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.246 308 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.246 308 G C 0.395 175.284 174.900 -0.018 0.000 0.990 308 G CA 0.340 45.438 45.100 -0.003 0.000 0.627 308 G HN 0.816 nan 8.290 nan 0.000 0.522 309 T N -1.089 113.466 114.554 0.001 0.000 2.902 309 T HA 0.574 4.924 4.350 -0.000 0.000 0.280 309 T C 0.192 174.872 174.700 -0.033 0.000 0.992 309 T CA 0.032 62.116 62.100 -0.027 0.000 1.015 309 T CB 1.762 70.648 68.868 0.030 0.000 1.044 309 T HN 0.413 nan 8.240 nan 0.000 0.520 310 N N 2.647 121.278 118.700 -0.116 0.000 2.438 310 N HA 0.157 4.897 4.740 -0.000 0.000 0.267 310 N C -1.143 174.394 175.510 0.046 0.000 1.222 310 N CA -2.199 50.785 53.050 -0.109 0.000 0.930 310 N CB 0.759 39.013 38.487 -0.388 0.000 1.083 310 N HN 0.389 nan 8.380 nan 0.000 0.476 311 P HA -0.108 nan 4.420 nan 0.000 0.218 311 P C 1.017 178.424 177.300 0.180 0.000 1.146 311 P CA 1.115 64.287 63.100 0.120 0.000 0.813 311 P CB 0.027 31.787 31.700 0.099 0.000 0.778 312 G N -1.611 107.318 108.800 0.215 0.000 2.534 312 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 312 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 312 G C 0.989 176.111 174.900 0.369 0.000 1.128 312 G CA -0.031 45.237 45.100 0.281 0.000 0.784 312 G HN 0.126 nan 8.290 nan 0.000 0.542 313 F N 0.023 119.999 119.950 0.042 0.000 2.743 313 F HA 0.362 4.889 4.527 -0.000 0.000 0.297 313 F C 1.563 177.360 175.800 -0.005 0.000 1.131 313 F CA -0.866 57.143 58.000 0.016 0.000 1.426 313 F CB -0.038 38.973 39.000 0.019 0.000 1.116 313 F HN -0.075 nan 8.300 nan 0.000 0.583 314 L N -0.902 120.411 121.223 0.150 0.000 3.843 314 L HA -0.324 4.015 4.340 -0.000 0.000 0.411 314 L C -0.517 176.344 176.870 -0.015 0.000 1.205 314 L CA 0.139 54.962 54.840 -0.028 0.000 0.945 314 L CB -2.334 39.571 42.059 -0.257 0.000 1.929 314 L HN 0.155 nan 8.230 nan 0.000 0.934 315 Y N 3.137 123.436 120.300 -0.002 0.000 2.436 315 Y HA 0.429 4.979 4.550 -0.000 0.000 0.343 315 Y C 0.693 176.592 175.900 -0.002 0.000 1.008 315 Y CA 0.021 58.119 58.100 -0.003 0.000 1.241 315 Y CB 0.641 39.136 38.460 0.058 0.000 1.153 315 Y HN 0.300 nan 8.280 nan 0.000 0.521 316 Q N 4.107 123.609 119.800 -0.497 0.000 2.421 316 Q HA 0.410 4.750 4.340 -0.000 0.000 0.280 316 Q C -1.376 174.357 176.000 -0.446 0.000 1.085 316 Q CA -1.362 54.249 55.803 -0.320 0.000 0.807 316 Q CB 2.106 30.808 28.738 -0.060 0.000 1.405 316 Q HN 0.629 nan 8.270 nan 0.000 0.419 317 Q N 1.284 120.915 119.800 -0.282 0.000 2.407 317 Q HA 0.315 4.655 4.340 -0.000 0.000 0.214 317 Q C -1.164 174.753 176.000 -0.139 0.000 1.043 317 Q CA 0.001 55.654 55.803 -0.251 0.000 0.983 317 Q CB 0.868 29.448 28.738 -0.264 0.000 1.211 317 Q HN 0.716 nan 8.270 nan 0.000 0.564 318 N N 0.516 119.161 118.700 -0.092 0.000 2.480 318 N HA 0.316 5.056 4.740 -0.000 0.000 0.289 318 N C -1.758 173.790 175.510 0.063 0.000 1.073 318 N CA -0.061 52.985 53.050 -0.006 0.000 0.885 318 N CB 1.209 39.677 38.487 -0.032 0.000 1.421 318 N HN 0.694 nan 8.380 nan 0.000 0.503 319 S N 2.540 118.298 115.700 0.097 0.000 2.798 319 S HA 0.405 4.875 4.470 -0.000 0.000 0.312 319 S C 1.287 175.992 174.600 0.175 0.000 1.122 319 S CA -0.625 57.677 58.200 0.170 0.000 0.949 319 S CB 0.993 64.329 63.200 0.227 0.000 1.235 319 S HN 0.319 nan 8.310 nan 0.000 0.552 320 I N 1.267 121.972 120.570 0.225 0.000 2.423 320 I HA -0.067 4.103 4.170 -0.000 0.000 0.254 320 I C 2.612 178.866 176.117 0.228 0.000 1.151 320 I CA 1.363 62.803 61.300 0.234 0.000 1.421 320 I CB -0.585 37.575 38.000 0.267 0.000 1.079 320 I HN 0.845 nan 8.210 nan 0.000 0.431 321 R N 0.315 120.956 120.500 0.235 0.000 2.081 321 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 321 R C 1.822 178.034 176.300 -0.145 0.000 1.131 321 R CA 1.976 57.983 56.100 -0.155 0.000 0.960 321 R CB -0.380 29.777 30.300 -0.239 0.000 0.856 321 R HN 0.425 nan 8.270 nan 0.000 0.436 322 D N 0.241 120.639 120.400 -0.003 0.000 2.144 322 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 322 D C 1.765 178.074 176.300 0.015 0.000 0.978 322 D CA 1.291 55.303 54.000 0.020 0.000 0.833 322 D CB -0.105 40.734 40.800 0.066 0.000 0.961 322 D HN 0.400 nan 8.370 nan 0.000 0.470 323 A N 1.227 124.069 122.820 0.037 0.000 1.883 323 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 323 A C 2.389 179.945 177.584 -0.047 0.000 1.186 323 A CA 1.044 53.092 52.037 0.017 0.000 0.624 323 A CB -0.861 18.178 19.000 0.066 0.000 0.822 323 A HN 0.172 nan 8.150 nan 0.000 0.444 324 L N -0.717 120.482 121.223 -0.039 0.000 2.093 324 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 324 L C 2.551 179.357 176.870 -0.106 0.000 1.085 324 L CA 0.928 55.725 54.840 -0.070 0.000 0.755 324 L CB -0.386 41.632 42.059 -0.069 0.000 0.904 324 L HN 0.256 nan 8.230 nan 0.000 0.435 325 V N -0.070 119.786 119.914 -0.097 0.000 2.287 325 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 325 V C 2.727 178.831 176.094 0.017 0.000 1.053 325 V CA 1.896 64.172 62.300 -0.040 0.000 1.027 325 V CB -0.936 30.887 31.823 0.000 0.000 0.646 325 V HN 0.507 nan 8.190 nan 0.000 0.447 326 A N 0.437 123.285 122.820 0.047 0.000 1.865 326 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 326 A C 2.437 179.883 177.584 -0.229 0.000 1.191 326 A CA 2.160 54.250 52.037 0.088 0.000 0.623 326 A CB -1.365 17.666 19.000 0.053 0.000 0.826 326 A HN 0.532 nan 8.150 nan 0.000 0.444 327 G N -0.699 107.895 108.800 -0.343 0.000 2.421 327 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 327 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 327 G C 1.775 176.399 174.900 -0.461 0.000 1.171 327 G CA 1.603 46.403 45.100 -0.500 0.000 0.775 327 G HN 0.838 nan 8.290 nan 0.000 0.543 328 A N 0.125 122.762 122.820 -0.306 0.000 1.898 328 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 328 A C 2.534 179.921 177.584 -0.329 0.000 1.181 328 A CA 2.434 54.326 52.037 -0.242 0.000 0.620 328 A CB -0.902 18.028 19.000 -0.117 0.000 0.819 328 A HN 0.300 nan 8.150 nan 0.000 0.442 329 T N 0.460 114.755 114.554 -0.433 0.000 2.777 329 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 329 T C 1.803 175.832 174.700 -1.119 0.000 1.040 329 T CA 1.436 63.059 62.100 -0.795 0.000 1.141 329 T CB -0.370 67.924 68.868 -0.956 0.000 0.868 329 T HN 0.348 nan 8.240 nan 0.000 0.444 330 L N 0.012 120.758 121.223 -0.796 0.000 2.083 330 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 330 L C 2.507 179.013 176.870 -0.607 0.000 1.083 330 L CA 1.496 55.956 54.840 -0.632 0.000 0.752 330 L CB -0.626 41.181 42.059 -0.421 0.000 0.899 330 L HN 0.466 nan 8.230 nan 0.000 0.433 331 H N -0.582 118.153 119.070 -0.558 0.000 2.387 331 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 331 H C 2.411 177.550 175.328 -0.315 0.000 1.090 331 H CA 1.206 56.954 56.048 -0.499 0.000 1.332 331 H CB 0.088 29.704 29.762 -0.245 0.000 1.386 331 H HN 0.284 nan 8.280 nan 0.000 0.516 332 I N 0.353 120.786 120.570 -0.228 0.000 2.208 332 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 332 I C 1.711 177.842 176.117 0.024 0.000 1.097 332 I CA 1.022 62.234 61.300 -0.147 0.000 1.363 332 I CB -0.200 37.621 38.000 -0.298 0.000 1.051 332 I HN 0.165 nan 8.210 nan 0.000 0.413 333 F N 0.550 120.442 119.950 -0.096 0.000 2.134 333 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 333 F C 2.562 178.423 175.800 0.101 0.000 1.097 333 F CA 1.296 59.272 58.000 -0.040 0.000 1.264 333 F CB -1.618 37.282 39.000 -0.166 0.000 1.001 333 F HN 0.188 nan 8.300 nan 0.000 0.479 334 H N -0.313 118.827 119.070 0.118 0.000 2.319 334 H HA -0.154 4.402 4.556 -0.000 0.000 0.297 334 H C 2.380 177.697 175.328 -0.018 0.000 1.097 334 H CA 1.252 57.316 56.048 0.028 0.000 1.285 334 H CB -0.163 29.559 29.762 -0.065 0.000 1.368 334 H HN 0.165 nan 8.280 nan 0.000 0.495 335 R N 0.162 120.702 120.500 0.068 0.000 2.152 335 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 335 R C 0.714 176.843 176.300 -0.285 0.000 1.117 335 R CA 0.857 56.871 56.100 -0.143 0.000 0.981 335 R CB 0.035 30.188 30.300 -0.245 0.000 0.870 335 R HN 0.569 nan 8.270 nan 0.000 0.451 336 H N -0.773 118.342 119.070 0.075 0.000 2.469 336 H HA 0.077 4.633 4.556 -0.000 0.000 0.286 336 H C 1.544 176.911 175.328 0.064 0.000 1.106 336 H CA -0.108 55.978 56.048 0.064 0.000 1.055 336 H CB 0.191 29.995 29.762 0.070 0.000 1.618 336 H HN 0.340 nan 8.280 nan 0.000 0.559 337 C N 0.296 119.671 119.300 0.125 0.000 2.485 337 C HA -0.050 4.410 4.460 -0.000 0.000 0.283 337 C C 1.974 177.003 174.990 0.066 0.000 1.478 337 C CA 0.265 59.339 59.018 0.093 0.000 1.741 337 C CB -0.668 27.111 27.740 0.067 0.000 1.675 337 C HN 0.490 nan 8.230 nan 0.000 0.573 338 D N 0.855 121.295 120.400 0.067 0.000 2.348 338 D HA -0.140 4.500 4.640 -0.000 0.000 0.216 338 D C 1.982 178.324 176.300 0.070 0.000 0.970 338 D CA 1.049 55.084 54.000 0.058 0.000 0.889 338 D CB -0.284 40.546 40.800 0.049 0.000 0.912 338 D HN 0.604 nan 8.370 nan 0.000 0.524 339 R N -0.031 120.520 120.500 0.085 0.000 2.716 339 R HA 0.181 4.521 4.340 -0.000 0.000 0.186 339 R C -0.276 176.055 176.300 0.052 0.000 0.830 339 R CA 0.151 56.297 56.100 0.076 0.000 1.059 339 R CB 0.171 30.524 30.300 0.088 0.000 1.531 339 R HN -0.079 nan 8.270 nan 0.000 0.633 340 V N 3.560 123.504 119.914 0.051 0.000 2.446 340 V HA 0.247 4.367 4.120 -0.000 0.000 0.276 340 V C 0.618 176.690 176.094 -0.035 0.000 1.030 340 V CA 0.420 62.706 62.300 -0.024 0.000 1.033 340 V CB 1.095 32.900 31.823 -0.030 0.000 0.993 340 V HN 0.329 nan 8.190 nan 0.000 0.477 341 R N 3.655 124.114 120.500 -0.068 0.000 2.509 341 R HA 0.473 4.813 4.340 -0.000 0.000 0.297 341 R C 0.018 176.245 176.300 -0.121 0.000 0.951 341 R CA -0.064 56.002 56.100 -0.057 0.000 1.103 341 R CB 0.840 31.128 30.300 -0.020 0.000 1.283 341 R HN 0.679 nan 8.270 nan 0.000 0.534 342 M N 0.259 119.747 119.600 -0.187 0.000 2.414 342 M HA 0.586 5.065 4.480 -0.000 0.000 0.287 342 M C -2.180 173.951 176.300 -0.283 0.000 1.181 342 M CA -0.617 54.552 55.300 -0.219 0.000 0.933 342 M CB 2.364 34.786 32.600 -0.297 0.000 1.732 342 M HN 0.012 nan 8.290 nan 0.000 0.486 343 A N 3.047 125.728 122.820 -0.232 0.000 2.539 343 A HA 0.843 5.162 4.320 -0.000 0.000 0.296 343 A C -1.852 175.789 177.584 0.095 0.000 1.073 343 A CA -0.781 51.137 52.037 -0.199 0.000 0.700 343 A CB 1.768 20.384 19.000 -0.641 0.000 1.296 343 A HN 0.862 nan 8.150 nan 0.000 0.405 344 N N 1.611 120.438 118.700 0.211 0.000 2.549 344 N HA 0.238 4.978 4.740 -0.000 0.000 0.281 344 N C -1.215 174.227 175.510 -0.113 0.000 1.084 344 N CA -0.263 52.830 53.050 0.071 0.000 0.862 344 N CB 2.143 40.647 38.487 0.027 0.000 1.333 344 N HN 0.733 nan 8.380 nan 0.000 0.523 345 I N 1.639 121.954 120.570 -0.426 0.000 2.648 345 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 345 I C 0.617 176.450 176.117 -0.473 0.000 1.153 345 I CA -0.146 60.536 61.300 -1.030 0.000 1.426 345 I CB 0.576 37.911 38.000 -1.108 0.000 1.381 345 I HN 0.538 nan 8.210 nan 0.000 0.571 346 A N 8.048 130.621 122.820 -0.412 0.000 2.545 346 A HA 0.296 4.616 4.320 -0.000 0.000 0.297 346 A C -0.179 177.246 177.584 -0.265 0.000 1.340 346 A CA 0.050 52.038 52.037 -0.081 0.000 1.016 346 A CB -0.355 18.750 19.000 0.175 0.000 1.122 346 A HN 0.819 nan 8.150 nan 0.000 0.537 347 Q N 0.772 120.377 119.800 -0.325 0.000 2.197 347 Q HA -0.134 4.206 4.340 -0.000 0.000 0.257 347 Q C -0.121 175.708 176.000 -0.286 0.000 0.951 347 Q CA 0.105 55.649 55.803 -0.433 0.000 0.482 347 Q CB -1.135 27.258 28.738 -0.575 0.000 0.579 347 Q HN 0.710 nan 8.270 nan 0.000 0.320 348 L N 2.704 123.783 121.223 -0.240 0.000 1.989 348 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 348 L C 0.545 177.300 176.870 -0.191 0.000 1.071 348 L CA 2.033 56.764 54.840 -0.183 0.000 0.749 348 L CB 0.475 42.434 42.059 -0.167 0.000 0.890 348 L HN 0.496 nan 8.230 nan 0.000 0.431 349 V N 0.268 120.063 119.914 -0.198 0.000 2.638 349 V HA 0.377 4.497 4.120 -0.000 0.000 0.306 349 V C -0.007 176.017 176.094 -0.116 0.000 1.052 349 V CA -0.823 61.390 62.300 -0.144 0.000 0.885 349 V CB 1.538 33.281 31.823 -0.135 0.000 0.999 349 V HN 0.386 nan 8.190 nan 0.000 0.424 350 N N 1.399 120.083 118.700 -0.028 0.000 2.732 350 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 350 N C -0.376 175.159 175.510 0.041 0.000 1.097 350 N CA 1.179 54.300 53.050 0.119 0.000 0.812 350 N CB -0.604 37.970 38.487 0.146 0.000 1.148 350 N HN 0.543 nan 8.380 nan 0.000 0.572 351 V N 1.001 120.829 119.914 -0.142 0.000 2.524 351 V HA 0.450 4.569 4.120 -0.000 0.000 0.297 351 V C 1.061 176.960 176.094 -0.326 0.000 1.035 351 V CA -0.617 61.543 62.300 -0.233 0.000 0.867 351 V CB 1.856 33.495 31.823 -0.307 0.000 1.004 351 V HN 0.265 nan 8.190 nan 0.000 0.426 352 L N 2.014 123.012 121.223 -0.376 0.000 6.889 352 L HA -0.270 4.070 4.340 -0.000 0.000 0.053 352 L C 1.061 177.737 176.870 -0.324 0.000 1.907 352 L CA 1.134 55.709 54.840 -0.441 0.000 1.578 352 L CB -0.512 41.212 42.059 -0.558 0.000 2.819 352 L HN 0.752 nan 8.230 nan 0.000 1.095 353 Q N 1.058 120.674 119.800 -0.306 0.000 3.181 353 Q HA 0.217 4.557 4.340 -0.000 0.000 0.293 353 Q C -0.616 175.250 176.000 -0.224 0.000 1.406 353 Q CA -0.169 55.490 55.803 -0.240 0.000 1.026 353 Q CB 0.308 28.899 28.738 -0.245 0.000 1.630 353 Q HN 0.429 nan 8.270 nan 0.000 0.553 354 S N -0.077 115.500 115.700 -0.205 0.000 2.585 354 S HA 0.008 4.478 4.470 -0.000 0.000 0.273 354 S C 1.393 175.916 174.600 -0.130 0.000 1.339 354 S CA -0.348 57.744 58.200 -0.179 0.000 1.028 354 S CB 1.500 64.601 63.200 -0.165 0.000 0.906 354 S HN 0.538 nan 8.310 nan 0.000 0.528 355 V N 0.117 119.957 119.914 -0.123 0.000 2.951 355 V HA 0.354 4.474 4.120 -0.000 0.000 0.255 355 V C 0.360 176.424 176.094 -0.050 0.000 1.088 355 V CA 0.914 63.191 62.300 -0.038 0.000 1.109 355 V CB -0.717 31.087 31.823 -0.033 0.000 0.724 355 V HN 0.656 nan 8.190 nan 0.000 0.471 356 I N 0.609 121.119 120.570 -0.100 0.000 2.582 356 I HA 0.502 4.671 4.170 -0.000 0.000 0.292 356 I C -0.968 175.119 176.117 -0.050 0.000 1.066 356 I CA -0.591 60.644 61.300 -0.109 0.000 1.053 356 I CB 2.501 40.427 38.000 -0.123 0.000 1.241 356 I HN 0.029 nan 8.210 nan 0.000 0.421 357 L N 4.566 125.788 121.223 -0.002 0.000 2.346 357 L HA 0.693 5.033 4.340 -0.000 0.000 0.274 357 L C -0.119 176.963 176.870 0.352 0.000 1.007 357 L CA -0.565 54.378 54.840 0.171 0.000 0.818 357 L CB 2.222 44.365 42.059 0.139 0.000 1.284 357 L HN 0.620 nan 8.230 nan 0.000 0.424 358 T N -1.479 113.296 114.554 0.368 0.000 2.916 358 T HA 0.540 4.890 4.350 -0.000 0.000 0.292 358 T C -0.759 173.866 174.700 -0.125 0.000 1.055 358 T CA -0.756 61.463 62.100 0.199 0.000 1.009 358 T CB 2.453 71.336 68.868 0.025 0.000 1.118 358 T HN 0.677 nan 8.240 nan 0.000 0.497 359 E N 0.923 120.803 120.200 -0.533 0.000 2.621 359 E HA 0.474 4.824 4.350 -0.000 0.000 0.263 359 E C 0.819 177.183 176.600 -0.394 0.000 1.033 359 E CA -0.028 55.962 56.400 -0.682 0.000 0.778 359 E CB 0.175 29.030 29.700 -1.408 0.000 1.426 359 E HN 1.266 nan 8.360 nan 0.000 0.394 360 G N 4.323 112.979 108.800 -0.239 0.000 2.622 360 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.307 360 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.307 360 G C 0.799 175.616 174.900 -0.138 0.000 1.226 360 G CA 0.796 45.799 45.100 -0.163 0.000 0.997 360 G HN 0.710 nan 8.290 nan 0.000 0.551 361 E N 0.842 120.972 120.200 -0.117 0.000 2.347 361 E HA 0.082 4.432 4.350 -0.000 0.000 0.196 361 E C 1.395 177.952 176.600 -0.072 0.000 1.008 361 E CA 0.724 57.073 56.400 -0.085 0.000 0.852 361 E CB -0.031 29.628 29.700 -0.068 0.000 0.783 361 E HN 0.635 nan 8.360 nan 0.000 0.505 362 R N 1.076 121.514 120.500 -0.103 0.000 2.539 362 R HA 0.378 4.718 4.340 -0.000 0.000 0.275 362 R C 0.114 176.441 176.300 0.045 0.000 1.077 362 R CA 0.062 56.139 56.100 -0.037 0.000 1.097 362 R CB 0.749 31.004 30.300 -0.075 0.000 1.018 362 R HN 0.281 nan 8.270 nan 0.000 0.483 363 M N 1.451 121.154 119.600 0.171 0.000 2.520 363 M HA 0.548 5.028 4.480 -0.000 0.000 0.283 363 M C -1.959 174.439 176.300 0.165 0.000 1.237 363 M CA -1.221 54.214 55.300 0.224 0.000 0.885 363 M CB 2.081 34.715 32.600 0.056 0.000 1.727 363 M HN 0.453 nan 8.290 nan 0.000 0.468 364 L N 0.790 122.048 121.223 0.059 0.000 2.393 364 L HA 0.792 5.132 4.340 -0.000 0.000 0.260 364 L C -1.830 174.929 176.870 -0.186 0.000 1.002 364 L CA -0.847 53.927 54.840 -0.111 0.000 0.818 364 L CB 1.752 43.648 42.059 -0.272 0.000 1.369 364 L HN 0.859 nan 8.230 nan 0.000 0.412 365 L N 1.962 123.039 121.223 -0.244 0.000 2.265 365 L HA 0.578 4.918 4.340 -0.000 0.000 0.288 365 L C 0.762 177.486 176.870 -0.244 0.000 1.058 365 L CA -0.476 54.129 54.840 -0.391 0.000 0.809 365 L CB 1.355 43.030 42.059 -0.640 0.000 1.179 365 L HN 0.943 nan 8.230 nan 0.000 0.429 366 T N -0.227 114.227 114.554 -0.166 0.000 2.828 366 T HA 0.243 4.593 4.350 -0.000 0.000 0.290 366 T C -1.876 172.820 174.700 -0.006 0.000 1.019 366 T CA -1.693 60.370 62.100 -0.061 0.000 1.031 366 T CB 1.186 70.030 68.868 -0.040 0.000 1.001 366 T HN 0.305 nan 8.240 nan 0.000 0.531 367 P HA -0.055 nan 4.420 nan 0.000 0.218 367 P C 1.601 178.996 177.300 0.158 0.000 1.148 367 P CA 1.071 64.297 63.100 0.211 0.000 0.822 367 P CB -0.269 31.535 31.700 0.173 0.000 0.784 368 T N -1.540 113.081 114.554 0.111 0.000 2.746 368 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 368 T C 1.576 176.408 174.700 0.220 0.000 1.039 368 T CA 1.241 63.431 62.100 0.151 0.000 1.142 368 T CB -1.118 67.811 68.868 0.102 0.000 0.866 368 T HN 0.123 nan 8.240 nan 0.000 0.444 369 Y N 1.684 121.973 120.300 -0.020 0.000 2.114 369 Y HA -0.289 4.261 4.550 -0.000 0.000 0.282 369 Y C 2.549 178.467 175.900 0.030 0.000 1.165 369 Y CA 1.723 59.785 58.100 -0.062 0.000 1.148 369 Y CB -0.403 37.895 38.460 -0.271 0.000 0.972 369 Y HN 0.346 nan 8.280 nan 0.000 0.504 370 H N -1.172 118.024 119.070 0.211 0.000 2.387 370 H HA -0.126 4.430 4.556 -0.000 0.000 0.299 370 H C 2.549 177.880 175.328 0.003 0.000 1.090 370 H CA 1.693 57.813 56.048 0.119 0.000 1.332 370 H CB -0.700 29.157 29.762 0.159 0.000 1.386 370 H HN 0.341 nan 8.280 nan 0.000 0.516 371 V N 0.771 120.729 119.914 0.075 0.000 2.295 371 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 371 V C 2.296 178.270 176.094 -0.200 0.000 1.049 371 V CA 1.653 63.825 62.300 -0.213 0.000 1.024 371 V CB -0.817 30.769 31.823 -0.395 0.000 0.648 371 V HN 0.176 nan 8.190 nan 0.000 0.447 372 F N 0.644 120.533 119.950 -0.102 0.000 2.171 372 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 372 F C 2.358 178.152 175.800 -0.010 0.000 1.090 372 F CA 2.044 60.078 58.000 0.058 0.000 1.293 372 F CB -0.514 38.538 39.000 0.085 0.000 1.013 372 F HN 0.220 nan 8.300 nan 0.000 0.486 373 N N 0.075 118.751 118.700 -0.041 0.000 2.171 373 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 373 N C 1.751 177.286 175.510 0.042 0.000 1.021 373 N CA 1.326 54.317 53.050 -0.098 0.000 0.854 373 N CB -0.187 38.137 38.487 -0.271 0.000 0.994 373 N HN 0.169 nan 8.380 nan 0.000 0.426 374 M N -1.006 118.663 119.600 0.114 0.000 2.117 374 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 374 M C 0.855 177.310 176.300 0.259 0.000 1.065 374 M CA 1.120 56.531 55.300 0.185 0.000 1.114 374 M CB -0.185 32.568 32.600 0.255 0.000 1.361 374 M HN 0.064 nan 8.290 nan 0.000 0.408 375 F N 1.128 121.075 119.950 -0.006 0.000 2.802 375 F HA -0.016 4.511 4.527 -0.000 0.000 0.300 375 F C 2.044 177.706 175.800 -0.232 0.000 1.168 375 F CA 0.472 58.487 58.000 0.025 0.000 1.433 375 F CB -0.934 38.261 39.000 0.326 0.000 1.115 375 F HN 0.224 nan 8.300 nan 0.000 0.582 376 K N 0.488 120.835 120.400 -0.088 0.000 2.360 376 K HA -0.103 4.217 4.320 -0.000 0.000 0.201 376 K C 1.660 178.060 176.600 -0.332 0.000 1.046 376 K CA 1.585 57.715 56.287 -0.261 0.000 0.945 376 K CB -0.883 31.549 32.500 -0.113 0.000 0.750 376 K HN 0.279 nan 8.250 nan 0.000 0.464 377 V N -1.162 118.499 119.914 -0.422 0.000 2.867 377 V HA -0.157 3.963 4.120 -0.000 0.000 0.260 377 V C 1.622 177.416 176.094 -0.501 0.000 1.099 377 V CA 1.284 63.221 62.300 -0.606 0.000 1.122 377 V CB -0.979 30.119 31.823 -1.207 0.000 0.708 377 V HN 0.344 nan 8.190 nan 0.000 0.490 378 H N 0.225 119.113 119.070 -0.303 0.000 2.548 378 H HA 0.240 4.796 4.556 -0.000 0.000 0.268 378 H C 0.921 176.125 175.328 -0.206 0.000 0.975 378 H CA 0.194 56.109 56.048 -0.221 0.000 1.195 378 H CB -0.008 29.700 29.762 -0.090 0.000 1.397 378 H HN 0.615 nan 8.280 nan 0.000 0.572 379 Q N 1.527 121.214 119.800 -0.187 0.000 2.255 379 Q HA -0.039 4.300 4.340 -0.000 0.000 0.280 379 Q C -0.057 175.927 176.000 -0.027 0.000 1.068 379 Q CA 0.093 55.834 55.803 -0.103 0.000 0.911 379 Q CB 0.495 29.151 28.738 -0.137 0.000 1.157 379 Q HN 0.247 nan 8.270 nan 0.000 0.380 380 D N -0.233 120.180 120.400 0.020 0.000 2.983 380 D HA -0.199 4.441 4.640 -0.000 0.000 0.225 380 D C -0.540 175.762 176.300 0.002 0.000 1.174 380 D CA 1.314 55.324 54.000 0.017 0.000 0.831 380 D CB -0.881 39.930 40.800 0.018 0.000 1.104 380 D HN 0.635 nan 8.370 nan 0.000 0.421 381 A N 0.019 122.835 122.820 -0.007 0.000 2.264 381 A HA 0.486 4.806 4.320 -0.000 0.000 0.304 381 A C 0.440 178.014 177.584 -0.017 0.000 1.100 381 A CA -0.366 51.669 52.037 -0.004 0.000 0.839 381 A CB 0.827 19.837 19.000 0.016 0.000 1.121 381 A HN 0.074 nan 8.150 nan 0.000 0.496 382 E N 0.385 120.577 120.200 -0.014 0.000 2.223 382 E HA 0.257 4.607 4.350 -0.000 0.000 0.282 382 E C -0.867 175.707 176.600 -0.043 0.000 1.046 382 E CA -0.454 55.931 56.400 -0.025 0.000 0.857 382 E CB 1.046 30.734 29.700 -0.020 0.000 1.055 382 E HN 0.473 nan 8.360 nan 0.000 0.409 383 L N 4.956 126.143 121.223 -0.061 0.000 2.410 383 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 383 L C -0.961 175.868 176.870 -0.070 0.000 1.152 383 L CA 0.376 55.166 54.840 -0.084 0.000 0.855 383 L CB 0.269 42.276 42.059 -0.087 0.000 1.129 383 L HN 0.464 nan 8.230 nan 0.000 0.463 384 L N 3.787 124.961 121.223 -0.081 0.000 2.343 384 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 384 L C -0.187 176.613 176.870 -0.116 0.000 1.056 384 L CA -0.893 53.890 54.840 -0.095 0.000 0.804 384 L CB 1.437 43.433 42.059 -0.105 0.000 1.203 384 L HN 0.604 nan 8.230 nan 0.000 0.440 385 D N 1.704 122.024 120.400 -0.133 0.000 2.417 385 D HA 0.203 4.843 4.640 -0.000 0.000 0.250 385 D C -0.422 175.705 176.300 -0.288 0.000 1.166 385 D CA 0.186 54.094 54.000 -0.154 0.000 0.881 385 D CB 0.814 41.540 40.800 -0.124 0.000 1.164 385 D HN 0.579 nan 8.370 nan 0.000 0.467 386 T N 1.132 115.552 114.554 -0.223 0.000 2.900 386 T HA 0.602 4.952 4.350 -0.000 0.000 0.295 386 T C -1.001 173.659 174.700 -0.067 0.000 1.044 386 T CA -1.062 60.881 62.100 -0.262 0.000 0.995 386 T CB 0.847 69.628 68.868 -0.145 0.000 1.072 386 T HN 0.281 nan 8.240 nan 0.000 0.473 387 W N 2.025 123.305 121.300 -0.035 0.000 2.632 387 W HA 0.632 5.292 4.660 -0.000 0.000 0.328 387 W C -0.009 176.497 176.519 -0.020 0.000 1.044 387 W CA -0.874 56.455 57.345 -0.027 0.000 1.225 387 W CB 1.176 30.624 29.460 -0.020 0.000 1.396 387 W HN 1.036 nan 8.180 nan 0.000 0.499 388 E N 0.244 120.564 120.200 0.201 0.000 2.356 388 E HA 0.615 4.965 4.350 -0.000 0.000 0.275 388 E C -1.526 175.128 176.600 0.090 0.000 0.904 388 E CA -0.890 55.580 56.400 0.116 0.000 0.757 388 E CB 2.416 32.156 29.700 0.066 0.000 1.232 388 E HN 0.066 nan 8.360 nan 0.000 0.442 389 S N 1.695 117.441 115.700 0.076 0.000 2.779 389 S HA 0.428 4.898 4.470 -0.000 0.000 0.293 389 S C -0.864 173.767 174.600 0.053 0.000 1.150 389 S CA -0.545 57.689 58.200 0.056 0.000 1.057 389 S CB 0.794 64.026 63.200 0.053 0.000 1.021 389 S HN 0.670 nan 8.310 nan 0.000 0.485 390 V N 2.945 122.888 119.914 0.047 0.000 2.715 390 V HA 0.753 4.872 4.120 -0.000 0.000 0.310 390 V C 0.024 176.144 176.094 0.043 0.000 1.054 390 V CA -1.034 61.296 62.300 0.050 0.000 0.928 390 V CB 1.455 33.310 31.823 0.055 0.000 1.007 390 V HN 0.929 nan 8.190 nan 0.000 0.437 391 E N 3.722 123.949 120.200 0.045 0.000 2.410 391 E HA 0.405 4.755 4.350 -0.000 0.000 0.255 391 E C -0.697 175.923 176.600 0.034 0.000 1.194 391 E CA -0.839 55.582 56.400 0.035 0.000 0.955 391 E CB 0.594 30.315 29.700 0.035 0.000 0.988 391 E HN 0.619 nan 8.360 nan 0.000 0.461 392 R N 0.033 120.543 120.500 0.017 0.000 2.758 392 R HA 0.568 4.908 4.340 -0.000 0.000 0.265 392 R C -0.194 176.100 176.300 -0.010 0.000 1.016 392 R CA -0.705 55.398 56.100 0.005 0.000 1.040 392 R CB 1.644 31.934 30.300 -0.016 0.000 1.152 392 R HN 0.734 nan 8.270 nan 0.000 0.503 393 T N -1.470 113.064 114.554 -0.035 0.000 2.731 393 T HA 0.605 4.955 4.350 -0.000 0.000 0.300 393 T C -0.667 173.837 174.700 -0.326 0.000 1.283 393 T CA 0.443 62.488 62.100 -0.091 0.000 1.005 393 T CB 1.322 70.234 68.868 0.074 0.000 1.420 393 T HN 0.868 nan 8.240 nan 0.000 0.503 394 G N 1.951 110.268 108.800 -0.805 0.000 2.855 394 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.352 394 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.352 394 G C -2.862 171.531 174.900 -0.844 0.000 1.415 394 G CA -0.694 43.416 45.100 -1.649 0.000 0.871 394 G HN 0.753 nan 8.290 nan 0.000 0.543 395 P HA 0.322 nan 4.420 nan 0.000 0.258 395 P C 0.281 177.445 177.300 -0.227 0.000 1.187 395 P CA 1.154 64.037 63.100 -0.363 0.000 0.767 395 P CB -0.012 31.538 31.700 -0.249 0.000 0.770 396 E N 2.433 122.538 120.200 -0.159 0.000 2.586 396 E HA -0.248 4.102 4.350 -0.000 0.000 0.259 396 E C 0.916 177.455 176.600 -0.102 0.000 1.107 396 E CA 0.522 56.861 56.400 -0.101 0.000 0.754 396 E CB -2.081 27.578 29.700 -0.069 0.000 1.335 396 E HN 0.886 nan 8.360 nan 0.000 0.411 397 G N 0.645 109.360 108.800 -0.141 0.000 2.283 397 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.280 397 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.280 397 G C 0.585 175.436 174.900 -0.082 0.000 1.029 397 G CA 1.107 46.141 45.100 -0.110 0.000 0.840 397 G HN 0.736 nan 8.290 nan 0.000 0.505 398 E N -1.163 118.975 120.200 -0.104 0.000 2.338 398 E HA 0.127 4.477 4.350 -0.000 0.000 0.197 398 E C 1.060 177.658 176.600 -0.004 0.000 1.007 398 E CA 0.374 56.746 56.400 -0.047 0.000 0.849 398 E CB 0.147 29.819 29.700 -0.046 0.000 0.774 398 E HN 0.596 nan 8.360 nan 0.000 0.506 399 L N 1.429 122.647 121.223 -0.009 0.000 2.341 399 L HA 0.475 4.815 4.340 -0.000 0.000 0.267 399 L C -2.420 174.488 176.870 0.063 0.000 1.009 399 L CA -3.086 51.793 54.840 0.065 0.000 0.819 399 L CB 2.108 44.261 42.059 0.156 0.000 1.323 399 L HN -0.125 nan 8.230 nan 0.000 0.425 400 P HA 0.086 nan 4.420 nan 0.000 0.276 400 P C -0.344 177.024 177.300 0.113 0.000 1.230 400 P CA -0.429 62.719 63.100 0.080 0.000 0.776 400 P CB 1.666 33.412 31.700 0.077 0.000 0.888 401 K N 2.802 123.263 120.400 0.102 0.000 2.057 401 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 401 K C 0.313 176.997 176.600 0.140 0.000 1.049 401 K CA 1.503 57.867 56.287 0.128 0.000 0.931 401 K CB -0.112 32.445 32.500 0.095 0.000 0.714 401 K HN 0.313 nan 8.250 nan 0.000 0.440 402 V N -0.041 119.941 119.914 0.114 0.000 2.823 402 V HA 0.367 4.487 4.120 -0.000 0.000 0.312 402 V C -1.025 175.138 176.094 0.114 0.000 1.072 402 V CA -0.901 61.468 62.300 0.115 0.000 0.937 402 V CB 1.757 33.636 31.823 0.094 0.000 1.013 402 V HN 0.187 nan 8.190 nan 0.000 0.430 403 S N 2.809 118.595 115.700 0.145 0.000 2.561 403 S HA 0.846 5.315 4.470 -0.000 0.000 0.303 403 S C -1.254 173.472 174.600 0.211 0.000 1.110 403 S CA -0.405 57.902 58.200 0.179 0.000 1.034 403 S CB 1.516 64.856 63.200 0.233 0.000 1.010 403 S HN 0.530 nan 8.310 nan 0.000 0.482 404 V N 3.185 123.103 119.914 0.007 0.000 2.789 404 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 404 V C -0.234 175.581 176.094 -0.465 0.000 1.073 404 V CA -0.672 61.535 62.300 -0.156 0.000 0.921 404 V CB 2.027 33.811 31.823 -0.065 0.000 1.009 404 V HN 0.867 nan 8.190 nan 0.000 0.426 405 S N 1.779 117.137 115.700 -0.570 0.000 2.536 405 S HA 0.891 5.361 4.470 -0.000 0.000 0.271 405 S C -1.041 173.429 174.600 -0.215 0.000 1.134 405 S CA 0.111 58.018 58.200 -0.489 0.000 0.897 405 S CB 1.763 64.491 63.200 -0.787 0.000 1.094 405 S HN 1.415 nan 8.310 nan 0.000 0.473 406 A N 2.330 125.068 122.820 -0.136 0.000 2.422 406 A HA 0.896 5.216 4.320 -0.000 0.000 0.302 406 A C -0.409 177.157 177.584 -0.031 0.000 1.041 406 A CA -0.439 51.569 52.037 -0.047 0.000 0.708 406 A CB 1.540 20.489 19.000 -0.085 0.000 1.257 406 A HN 1.426 nan 8.150 nan 0.000 0.414 407 S N 1.420 117.154 115.700 0.057 0.000 2.651 407 S HA 0.823 5.293 4.470 -0.000 0.000 0.279 407 S C -0.733 173.892 174.600 0.042 0.000 1.148 407 S CA -0.855 57.369 58.200 0.040 0.000 0.837 407 S CB 1.716 64.974 63.200 0.097 0.000 1.138 407 S HN 0.957 nan 8.310 nan 0.000 0.478 408 R N 0.658 121.168 120.500 0.016 0.000 2.437 408 R HA 0.717 5.057 4.340 -0.000 0.000 0.310 408 R C 0.041 176.361 176.300 0.033 0.000 0.955 408 R CA -0.499 55.605 56.100 0.006 0.000 0.851 408 R CB 1.362 31.645 30.300 -0.029 0.000 1.161 408 R HN 0.978 nan 8.270 nan 0.000 0.446 409 A N 2.866 125.728 122.820 0.071 0.000 2.310 409 A HA 0.431 4.750 4.320 -0.000 0.000 0.260 409 A C 1.146 178.746 177.584 0.027 0.000 1.112 409 A CA 0.346 52.423 52.037 0.066 0.000 0.804 409 A CB 0.309 19.389 19.000 0.132 0.000 1.081 409 A HN 0.974 nan 8.150 nan 0.000 0.499 410 A N -0.019 122.813 122.820 0.019 0.000 2.019 410 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 410 A C 1.287 178.876 177.584 0.009 0.000 1.164 410 A CA 2.026 54.069 52.037 0.010 0.000 0.644 410 A CB -0.726 18.279 19.000 0.009 0.000 0.805 410 A HN 0.883 nan 8.150 nan 0.000 0.449 411 D N -2.326 118.083 120.400 0.015 0.000 2.336 411 D HA 0.295 4.934 4.640 -0.000 0.000 0.229 411 D C 1.164 177.462 176.300 -0.004 0.000 1.061 411 D CA 0.884 54.889 54.000 0.009 0.000 0.875 411 D CB -0.549 40.261 40.800 0.016 0.000 0.904 411 D HN 0.694 nan 8.370 nan 0.000 0.525 412 G N -0.039 108.755 108.800 -0.010 0.000 2.225 412 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.254 412 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.254 412 G C 0.323 175.190 174.900 -0.055 0.000 0.988 412 G CA 0.172 45.255 45.100 -0.028 0.000 0.625 412 G HN 0.476 nan 8.290 nan 0.000 0.527 413 K N 0.181 120.540 120.400 -0.068 0.000 2.319 413 K HA 0.528 4.847 4.320 -0.000 0.000 0.265 413 K C 0.240 176.693 176.600 -0.245 0.000 1.000 413 K CA 0.110 56.297 56.287 -0.167 0.000 0.943 413 K CB 0.883 33.264 32.500 -0.198 0.000 0.950 413 K HN 0.304 nan 8.250 nan 0.000 0.485 414 I N 2.047 122.412 120.570 -0.342 0.000 2.441 414 I HA 0.198 4.367 4.170 -0.000 0.000 0.295 414 I C -0.581 175.250 176.117 -0.477 0.000 0.994 414 I CA -0.744 60.386 61.300 -0.283 0.000 1.144 414 I CB 1.362 39.260 38.000 -0.169 0.000 1.314 414 I HN 0.535 nan 8.210 nan 0.000 0.445 415 H N 5.843 124.865 119.070 -0.081 0.000 2.529 415 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 415 H C -0.898 174.401 175.328 -0.047 0.000 1.079 415 H CA -0.457 55.525 56.048 -0.111 0.000 1.198 415 H CB 1.897 31.513 29.762 -0.243 0.000 1.521 415 H HN 0.361 nan 8.280 nan 0.000 0.514 416 I N 2.772 123.364 120.570 0.036 0.000 2.410 416 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 416 I C -0.451 175.675 176.117 0.015 0.000 1.009 416 I CA -0.616 60.692 61.300 0.013 0.000 1.111 416 I CB 1.457 39.429 38.000 -0.048 0.000 1.262 416 I HN 0.565 nan 8.210 nan 0.000 0.443 417 S N 7.056 122.779 115.700 0.039 0.000 2.509 417 S HA 0.887 5.357 4.470 -0.000 0.000 0.297 417 S C -0.771 173.926 174.600 0.161 0.000 1.118 417 S CA -0.784 57.454 58.200 0.063 0.000 1.074 417 S CB 1.871 64.984 63.200 -0.145 0.000 1.038 417 S HN 0.381 nan 8.310 nan 0.000 0.498 418 L N 1.227 122.563 121.223 0.187 0.000 2.431 418 L HA 0.564 4.904 4.340 -0.000 0.000 0.266 418 L C -0.971 176.012 176.870 0.189 0.000 0.978 418 L CA -0.444 54.504 54.840 0.180 0.000 0.822 418 L CB 1.864 43.955 42.059 0.053 0.000 1.310 418 L HN 0.800 nan 8.230 nan 0.000 0.409 419 C N 1.272 120.692 119.300 0.200 0.000 2.351 419 C HA 0.576 5.036 4.460 -0.000 0.000 0.326 419 C C 0.086 175.159 174.990 0.138 0.000 1.272 419 C CA -0.750 58.355 59.018 0.145 0.000 1.650 419 C CB 1.036 28.839 27.740 0.106 0.000 2.257 419 C HN 0.770 nan 8.230 nan 0.000 0.505 420 N N 2.087 120.871 118.700 0.140 0.000 2.457 420 N HA 0.365 5.104 4.740 -0.000 0.000 0.250 420 N C 0.145 175.800 175.510 0.242 0.000 0.982 420 N CA -0.539 52.608 53.050 0.163 0.000 0.941 420 N CB 0.755 39.321 38.487 0.132 0.000 1.120 420 N HN 0.483 nan 8.380 nan 0.000 0.505 421 L N 1.392 122.783 121.223 0.280 0.000 2.492 421 L HA 0.208 4.548 4.340 -0.000 0.000 0.223 421 L C 0.483 177.710 176.870 0.596 0.000 1.132 421 L CA 0.495 55.584 54.840 0.415 0.000 0.850 421 L CB -0.590 41.684 42.059 0.357 0.000 0.966 421 L HN 0.542 nan 8.230 nan 0.000 0.454 422 D N -0.860 119.775 120.400 0.391 0.000 2.249 422 D HA 0.071 4.711 4.640 -0.000 0.000 0.246 422 D C 1.013 177.324 176.300 0.018 0.000 1.114 422 D CA -0.374 53.780 54.000 0.257 0.000 0.854 422 D CB 0.889 41.791 40.800 0.171 0.000 1.132 422 D HN 0.122 nan 8.370 nan 0.000 0.461 423 F N 1.918 121.710 119.950 -0.263 0.000 2.569 423 F HA 0.265 4.792 4.527 -0.000 0.000 0.295 423 F C 1.587 177.255 175.800 -0.220 0.000 1.115 423 F CA 0.055 57.784 58.000 -0.452 0.000 1.450 423 F CB -0.412 37.942 39.000 -1.077 0.000 1.107 423 F HN 0.315 nan 8.300 nan 0.000 0.563 424 E N 0.964 120.810 120.200 -0.592 0.000 2.028 424 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 424 E C 0.656 177.201 176.600 -0.092 0.000 0.988 424 E CA 1.584 57.806 56.400 -0.296 0.000 0.799 424 E CB -0.143 29.341 29.700 -0.360 0.000 0.755 424 E HN 0.528 nan 8.360 nan 0.000 0.447 425 T N -2.371 112.143 114.554 -0.067 0.000 2.883 425 T HA 0.591 4.941 4.350 -0.000 0.000 0.296 425 T C 0.342 175.060 174.700 0.030 0.000 1.117 425 T CA -0.691 61.407 62.100 -0.004 0.000 1.006 425 T CB 1.760 70.629 68.868 0.001 0.000 1.191 425 T HN 0.091 nan 8.240 nan 0.000 0.508 426 G N -0.198 108.633 108.800 0.051 0.000 2.683 426 G HA2 0.549 4.509 3.960 -0.000 0.000 0.260 426 G HA3 0.549 4.509 3.960 -0.000 0.000 0.260 426 G C -0.320 174.627 174.900 0.078 0.000 1.238 426 G CA -0.457 44.689 45.100 0.078 0.000 0.934 426 G HN 1.264 nan 8.290 nan 0.000 0.534 427 A N -0.169 122.707 122.820 0.094 0.000 2.335 427 A HA 0.668 4.988 4.320 -0.000 0.000 0.304 427 A C 0.036 177.681 177.584 0.102 0.000 1.118 427 A CA -0.492 51.599 52.037 0.090 0.000 0.757 427 A CB 1.353 20.408 19.000 0.092 0.000 1.188 427 A HN 0.720 nan 8.150 nan 0.000 0.460 428 S N 0.929 116.683 115.700 0.091 0.000 2.523 428 S HA 0.526 4.996 4.470 -0.000 0.000 0.275 428 S C -0.167 174.489 174.600 0.094 0.000 1.281 428 S CA -0.400 57.858 58.200 0.098 0.000 1.050 428 S CB 0.987 64.235 63.200 0.080 0.000 0.937 428 S HN 0.643 nan 8.310 nan 0.000 0.492 429 V N 2.861 122.840 119.914 0.107 0.000 2.577 429 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 429 V C -0.786 175.372 176.094 0.106 0.000 1.042 429 V CA -0.885 61.472 62.300 0.095 0.000 0.872 429 V CB 2.104 33.978 31.823 0.085 0.000 0.998 429 V HN 0.865 nan 8.190 nan 0.000 0.423 430 D N 4.579 125.040 120.400 0.101 0.000 2.349 430 D HA 0.537 5.177 4.640 -0.000 0.000 0.232 430 D C -0.665 175.705 176.300 0.116 0.000 1.071 430 D CA -0.123 53.952 54.000 0.125 0.000 0.832 430 D CB 1.015 41.892 40.800 0.128 0.000 1.086 430 D HN 0.450 nan 8.370 nan 0.000 0.504 431 I N 3.000 123.633 120.570 0.105 0.000 2.354 431 I HA 0.278 4.447 4.170 -0.000 0.000 0.292 431 I C 0.229 176.334 176.117 -0.021 0.000 0.989 431 I CA -0.881 60.440 61.300 0.036 0.000 1.188 431 I CB 1.712 39.712 38.000 0.001 0.000 1.342 431 I HN 0.389 nan 8.210 nan 0.000 0.457 432 E N 7.581 127.722 120.200 -0.097 0.000 2.134 432 E HA 0.438 4.788 4.350 -0.000 0.000 0.278 432 E C -1.375 175.080 176.600 -0.241 0.000 0.959 432 E CA -0.671 55.552 56.400 -0.294 0.000 0.783 432 E CB 1.071 30.629 29.700 -0.236 0.000 1.095 432 E HN 0.545 nan 8.360 nan 0.000 0.399 433 L N 5.429 126.502 121.223 -0.249 0.000 2.260 433 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 433 L C 0.561 177.326 176.870 -0.176 0.000 1.057 433 L CA -0.428 54.300 54.840 -0.186 0.000 0.811 433 L CB 0.862 42.838 42.059 -0.137 0.000 1.184 433 L HN 0.465 nan 8.230 nan 0.000 0.429 434 R N 1.349 121.740 120.500 -0.181 0.000 2.923 434 R HA 0.587 4.926 4.340 -0.000 0.000 0.252 434 R C 0.714 176.939 176.300 -0.126 0.000 1.130 434 R CA -0.461 55.551 56.100 -0.147 0.000 1.043 434 R CB 1.523 31.722 30.300 -0.168 0.000 1.205 434 R HN 0.763 nan 8.270 nan 0.000 0.495 435 G N 0.703 109.449 108.800 -0.090 0.000 2.203 435 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 435 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 435 G C -0.486 174.375 174.900 -0.065 0.000 1.012 435 G CA 0.141 45.198 45.100 -0.072 0.000 0.749 435 G HN 0.227 nan 8.290 nan 0.000 0.512 436 L N 0.579 121.763 121.223 -0.064 0.000 2.265 436 L HA 0.413 4.753 4.340 -0.000 0.000 0.288 436 L C 1.045 177.891 176.870 -0.039 0.000 1.058 436 L CA -0.221 54.585 54.840 -0.056 0.000 0.809 436 L CB 0.608 42.631 42.059 -0.061 0.000 1.179 436 L HN 0.248 nan 8.230 nan 0.000 0.429 437 N N 3.144 121.824 118.700 -0.034 0.000 2.471 437 N HA 0.238 4.978 4.740 -0.000 0.000 0.205 437 N C 0.398 175.895 175.510 -0.020 0.000 1.251 437 N CA 0.284 53.320 53.050 -0.024 0.000 0.843 437 N CB 0.273 38.747 38.487 -0.022 0.000 1.044 437 N HN 0.835 nan 8.380 nan 0.000 0.461 438 G N -0.888 107.899 108.800 -0.022 0.000 2.392 438 G HA2 0.362 4.322 3.960 -0.000 0.000 0.260 438 G HA3 0.362 4.322 3.960 -0.000 0.000 0.260 438 G C -1.270 173.620 174.900 -0.017 0.000 1.226 438 G CA -0.484 44.607 45.100 -0.016 0.000 0.913 438 G HN 0.128 nan 8.290 nan 0.000 0.483 439 G N -1.071 107.722 108.800 -0.012 0.000 2.454 439 G HA2 0.825 4.785 3.960 -0.000 0.000 0.329 439 G HA3 0.825 4.785 3.960 -0.000 0.000 0.329 439 G C -0.438 174.456 174.900 -0.010 0.000 1.177 439 G CA 0.125 45.221 45.100 -0.008 0.000 0.951 439 G HN 1.790 nan 8.290 nan 0.000 0.485 440 V N -1.307 118.603 119.914 -0.006 0.000 3.040 440 V HA 0.925 5.045 4.120 -0.000 0.000 0.312 440 V C -0.036 176.066 176.094 0.014 0.000 1.115 440 V CA -0.692 61.603 62.300 -0.008 0.000 0.998 440 V CB 1.491 33.298 31.823 -0.027 0.000 1.042 440 V HN 1.107 nan 8.190 nan 0.000 0.433 441 S N 1.464 117.173 115.700 0.016 0.000 2.664 441 S HA 0.990 5.460 4.470 -0.000 0.000 0.304 441 S C -0.180 174.450 174.600 0.050 0.000 1.099 441 S CA -0.273 57.954 58.200 0.046 0.000 1.003 441 S CB 1.748 64.971 63.200 0.040 0.000 1.092 441 S HN 2.217 nan 8.310 nan 0.000 0.525 442 A N 1.270 124.159 122.820 0.115 0.000 2.422 442 A HA 0.831 5.151 4.320 -0.000 0.000 0.302 442 A C -0.115 177.592 177.584 0.206 0.000 1.041 442 A CA -0.762 51.334 52.037 0.100 0.000 0.708 442 A CB 1.343 20.363 19.000 0.033 0.000 1.257 442 A HN 1.203 nan 8.150 nan 0.000 0.414 443 T N -0.787 113.840 114.554 0.121 0.000 2.932 443 T HA 0.877 5.227 4.350 -0.000 0.000 0.289 443 T C 0.066 174.845 174.700 0.132 0.000 1.039 443 T CA -0.265 61.944 62.100 0.183 0.000 1.024 443 T CB 1.960 70.905 68.868 0.127 0.000 1.090 443 T HN 1.724 nan 8.240 nan 0.000 0.496 444 G N -0.372 108.568 108.800 0.235 0.000 2.667 444 G HA2 0.599 4.559 3.960 -0.000 0.000 0.298 444 G HA3 0.599 4.559 3.960 -0.000 0.000 0.298 444 G C -1.274 173.799 174.900 0.289 0.000 1.377 444 G CA -0.724 44.531 45.100 0.259 0.000 0.964 444 G HN 0.895 nan 8.290 nan 0.000 0.493 445 T N -0.809 113.876 114.554 0.219 0.000 2.886 445 T HA 0.728 5.078 4.350 -0.000 0.000 0.292 445 T C -0.852 173.923 174.700 0.126 0.000 1.012 445 T CA -0.377 61.833 62.100 0.183 0.000 0.982 445 T CB 2.027 70.971 68.868 0.127 0.000 1.018 445 T HN 0.707 nan 8.240 nan 0.000 0.451 446 T N 3.632 118.262 114.554 0.127 0.000 2.900 446 T HA 0.704 5.054 4.350 -0.000 0.000 0.295 446 T C -1.721 173.015 174.700 0.060 0.000 1.044 446 T CA -0.630 61.498 62.100 0.047 0.000 0.995 446 T CB 1.313 70.194 68.868 0.022 0.000 1.072 446 T HN 0.585 nan 8.240 nan 0.000 0.473 447 L N 4.078 125.330 121.223 0.049 0.000 2.349 447 L HA 0.848 5.188 4.340 -0.000 0.000 0.278 447 L C -0.305 176.605 176.870 0.067 0.000 0.996 447 L CA 0.255 55.124 54.840 0.048 0.000 0.825 447 L CB 1.747 43.842 42.059 0.060 0.000 1.243 447 L HN 0.784 nan 8.230 nan 0.000 0.412 448 T N 2.303 116.898 114.554 0.069 0.000 2.731 448 T HA 0.768 5.118 4.350 -0.000 0.000 0.300 448 T C -1.596 173.149 174.700 0.075 0.000 1.283 448 T CA -0.057 62.093 62.100 0.084 0.000 1.005 448 T CB 1.572 70.490 68.868 0.084 0.000 1.420 448 T HN 0.765 nan 8.240 nan 0.000 0.503 449 S N -1.379 114.366 115.700 0.074 0.000 2.607 449 S HA 0.650 5.120 4.470 -0.000 0.000 0.273 449 S C 0.774 175.390 174.600 0.027 0.000 1.148 449 S CA 0.170 58.401 58.200 0.051 0.000 0.833 449 S CB 1.149 64.391 63.200 0.069 0.000 1.130 449 S HN 1.108 nan 8.310 nan 0.000 0.470 450 G N 1.220 110.023 108.800 0.004 0.000 2.986 450 G HA2 0.265 4.225 3.960 -0.000 0.000 0.213 450 G HA3 0.265 4.225 3.960 -0.000 0.000 0.213 450 G C 0.256 175.130 174.900 -0.044 0.000 1.156 450 G CA -0.140 44.953 45.100 -0.012 0.000 0.763 450 G HN 0.582 nan 8.290 nan 0.000 0.547 451 R N -0.222 120.245 120.500 -0.054 0.000 2.740 451 R HA 0.396 4.736 4.340 -0.000 0.000 0.282 451 R C 1.222 177.444 176.300 -0.130 0.000 0.969 451 R CA -0.711 55.323 56.100 -0.111 0.000 0.918 451 R CB 1.792 32.034 30.300 -0.096 0.000 1.175 451 R HN 0.155 nan 8.270 nan 0.000 0.464 452 I N -1.384 119.018 120.570 -0.280 0.000 2.614 452 I HA -0.097 4.073 4.170 -0.000 0.000 0.258 452 I C 0.648 176.803 176.117 0.063 0.000 1.189 452 I CA 1.320 62.450 61.300 -0.284 0.000 1.462 452 I CB -0.151 37.450 38.000 -0.664 0.000 1.092 452 I HN 0.520 nan 8.210 nan 0.000 0.442 453 D N 1.400 121.698 120.400 -0.170 0.000 2.463 453 D HA 0.155 4.795 4.640 -0.000 0.000 0.224 453 D C 0.924 177.324 176.300 0.166 0.000 1.174 453 D CA -0.367 53.611 54.000 -0.037 0.000 0.829 453 D CB -0.352 40.169 40.800 -0.465 0.000 0.993 453 D HN 0.272 nan 8.370 nan 0.000 0.497 454 G N 1.253 110.133 108.800 0.134 0.000 2.265 454 G HA2 0.299 4.259 3.960 -0.000 0.000 0.240 454 G HA3 0.299 4.259 3.960 -0.000 0.000 0.240 454 G C 0.109 175.137 174.900 0.213 0.000 1.270 454 G CA 0.177 45.352 45.100 0.124 0.000 0.901 454 G HN 0.599 nan 8.290 nan 0.000 0.507 455 H N 0.215 119.290 119.070 0.008 0.000 2.990 455 H HA 0.392 4.948 4.556 -0.000 0.000 0.336 455 H C -1.034 174.281 175.328 -0.022 0.000 1.306 455 H CA -1.173 54.876 56.048 0.002 0.000 1.118 455 H CB 0.939 30.692 29.762 -0.015 0.000 1.856 455 H HN 0.346 nan 8.280 nan 0.000 0.538 456 N N 0.607 119.297 118.700 -0.017 0.000 2.487 456 N HA 0.328 5.068 4.740 -0.000 0.000 0.292 456 N C 0.005 175.428 175.510 -0.146 0.000 1.108 456 N CA 0.009 52.995 53.050 -0.107 0.000 0.956 456 N CB 2.058 40.508 38.487 -0.061 0.000 1.176 456 N HN 0.800 nan 8.380 nan 0.000 0.484 457 T N -2.546 111.895 114.554 -0.188 0.000 2.907 457 T HA 0.471 4.821 4.350 -0.000 0.000 0.290 457 T C 0.920 175.470 174.700 -0.250 0.000 1.066 457 T CA -0.605 61.367 62.100 -0.214 0.000 1.012 457 T CB 0.429 69.256 68.868 -0.068 0.000 1.184 457 T HN 0.166 nan 8.240 nan 0.000 0.522 458 F N 0.654 120.623 119.950 0.031 0.000 2.186 458 F HA 0.042 4.569 4.527 -0.000 0.000 0.299 458 F C 2.237 178.037 175.800 0.001 0.000 1.090 458 F CA 0.997 59.005 58.000 0.013 0.000 1.307 458 F CB -0.513 38.495 39.000 0.013 0.000 1.019 458 F HN 0.531 nan 8.300 nan 0.000 0.489 459 D N -0.093 120.395 120.400 0.146 0.000 2.149 459 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 459 D C 0.371 176.686 176.300 0.026 0.000 0.972 459 D CA 1.107 55.151 54.000 0.074 0.000 0.835 459 D CB -0.199 40.634 40.800 0.056 0.000 0.966 459 D HN 0.382 nan 8.370 nan 0.000 0.476 460 E N 0.485 120.680 120.200 -0.008 0.000 3.037 460 E HA 0.142 4.492 4.350 -0.000 0.000 0.220 460 E C -2.065 174.501 176.600 -0.056 0.000 1.142 460 E CA -1.212 55.167 56.400 -0.034 0.000 0.888 460 E CB 1.865 31.531 29.700 -0.057 0.000 1.329 460 E HN 0.087 nan 8.360 nan 0.000 0.409 461 P HA 0.011 nan 4.420 nan 0.000 0.255 461 P C -0.085 177.207 177.300 -0.012 0.000 1.301 461 P CA 0.484 63.553 63.100 -0.051 0.000 0.817 461 P CB 0.310 31.994 31.700 -0.028 0.000 1.259 462 E N -0.812 119.384 120.200 -0.007 0.000 2.921 462 E HA 0.196 4.546 4.350 -0.000 0.000 0.203 462 E C 1.368 177.966 176.600 -0.003 0.000 0.975 462 E CA -0.273 56.136 56.400 0.016 0.000 1.225 462 E CB 0.307 30.017 29.700 0.016 0.000 1.048 462 E HN 0.070 nan 8.360 nan 0.000 0.477 463 R N 0.308 120.791 120.500 -0.028 0.000 2.103 463 R HA -0.055 4.285 4.340 -0.000 0.000 0.242 463 R C 0.571 176.862 176.300 -0.014 0.000 1.142 463 R CA 1.006 57.081 56.100 -0.041 0.000 0.960 463 R CB 0.161 30.403 30.300 -0.096 0.000 0.858 463 R HN -0.078 nan 8.270 nan 0.000 0.439 464 V N 2.036 121.960 119.914 0.016 0.000 2.376 464 V HA 0.258 4.378 4.120 -0.000 0.000 0.287 464 V C -0.613 175.503 176.094 0.037 0.000 1.015 464 V CA -0.690 61.636 62.300 0.044 0.000 0.834 464 V CB 1.349 33.226 31.823 0.089 0.000 1.001 464 V HN 0.286 nan 8.190 nan 0.000 0.428 465 K N 4.361 124.708 120.400 -0.087 0.000 2.579 465 K HA 0.745 5.065 4.320 -0.000 0.000 0.284 465 K C -3.375 173.069 176.600 -0.260 0.000 0.990 465 K CA -1.958 54.097 56.287 -0.387 0.000 0.880 465 K CB 1.783 34.111 32.500 -0.287 0.000 1.488 465 K HN 0.233 nan 8.250 nan 0.000 0.425 466 P HA 0.231 nan 4.420 nan 0.000 0.269 466 P C -1.264 176.021 177.300 -0.026 0.000 1.215 466 P CA -0.279 62.762 63.100 -0.098 0.000 0.780 466 P CB 0.975 32.643 31.700 -0.054 0.000 0.898 467 A N 2.982 125.825 122.820 0.039 0.000 2.587 467 A HA 0.711 5.031 4.320 -0.000 0.000 0.293 467 A C -2.898 174.758 177.584 0.120 0.000 1.087 467 A CA -1.862 50.215 52.037 0.067 0.000 0.692 467 A CB 0.632 19.672 19.000 0.066 0.000 1.291 467 A HN 0.280 nan 8.150 nan 0.000 0.407 468 P HA 0.282 nan 4.420 nan 0.000 0.266 468 P C -1.070 176.375 177.300 0.242 0.000 1.195 468 P CA 0.418 63.612 63.100 0.156 0.000 0.768 468 P CB 0.118 31.880 31.700 0.103 0.000 0.838 469 F N 3.886 123.915 119.950 0.132 0.000 2.426 469 F HA 0.423 4.949 4.527 -0.000 0.000 0.348 469 F C 0.913 176.883 175.800 0.283 0.000 1.124 469 F CA -0.443 57.663 58.000 0.176 0.000 1.008 469 F CB 1.280 40.379 39.000 0.166 0.000 1.139 469 F HN 0.210 nan 8.300 nan 0.000 0.452 470 R N 2.237 122.468 120.500 -0.448 0.000 2.541 470 R HA 0.061 4.401 4.340 -0.000 0.000 0.332 470 R C -0.188 175.707 176.300 -0.676 0.000 0.951 470 R CA -0.084 55.761 56.100 -0.425 0.000 1.136 470 R CB 0.309 30.464 30.300 -0.242 0.000 1.449 470 R HN 0.476 nan 8.270 nan 0.000 0.531 471 D N 1.552 121.400 120.400 -0.921 0.000 2.982 471 D HA 0.031 4.670 4.640 -0.000 0.000 0.238 471 D C -0.732 175.422 176.300 -0.243 0.000 1.168 471 D CA 0.201 53.902 54.000 -0.498 0.000 0.947 471 D CB -0.353 40.313 40.800 -0.223 0.000 1.147 471 D HN 0.069 nan 8.370 nan 0.000 0.450 472 F N -1.327 118.437 119.950 -0.308 0.000 2.692 472 F HA 0.705 5.232 4.527 -0.000 0.000 0.320 472 F C -1.131 174.642 175.800 -0.045 0.000 1.123 472 F CA -1.465 56.494 58.000 -0.068 0.000 0.961 472 F CB 1.242 40.276 39.000 0.057 0.000 1.383 472 F HN -0.334 nan 8.300 nan 0.000 0.483 473 K N 1.755 122.256 120.400 0.169 0.000 2.565 473 K HA 0.581 4.901 4.320 -0.000 0.000 0.249 473 K C -2.432 174.293 176.600 0.209 0.000 0.958 473 K CA -0.574 55.742 56.287 0.049 0.000 0.806 473 K CB 1.722 34.227 32.500 0.008 0.000 1.194 473 K HN 0.843 nan 8.250 nan 0.000 0.434 474 L N 3.643 124.983 121.223 0.196 0.000 2.272 474 L HA 0.503 4.842 4.340 -0.000 0.000 0.284 474 L C -0.965 175.970 176.870 0.109 0.000 1.045 474 L CA 0.230 55.184 54.840 0.190 0.000 0.842 474 L CB 0.788 42.982 42.059 0.225 0.000 1.224 474 L HN 0.791 nan 8.230 nan 0.000 0.430 475 E N 4.291 124.556 120.200 0.109 0.000 2.207 475 E HA 0.535 4.885 4.350 -0.000 0.000 0.250 475 E C 0.633 177.292 176.600 0.099 0.000 0.890 475 E CA 0.254 56.703 56.400 0.082 0.000 0.749 475 E CB 0.492 30.230 29.700 0.064 0.000 1.193 475 E HN 0.891 nan 8.360 nan 0.000 0.423 476 G N 3.287 112.130 108.800 0.072 0.000 2.609 476 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.288 476 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.288 476 G C 0.714 175.644 174.900 0.051 0.000 1.211 476 G CA -0.040 45.098 45.100 0.065 0.000 0.963 476 G HN 0.760 nan 8.290 nan 0.000 0.541 477 G N -0.204 108.628 108.800 0.054 0.000 3.453 477 G HA2 0.516 4.476 3.960 -0.000 0.000 0.263 477 G HA3 0.516 4.476 3.960 -0.000 0.000 0.263 477 G C 0.159 174.963 174.900 -0.160 0.000 1.060 477 G CA 0.651 45.721 45.100 -0.050 0.000 0.793 477 G HN 0.821 nan 8.290 nan 0.000 0.532 478 H N -0.544 118.540 119.070 0.024 0.000 2.469 478 H HA 0.609 5.165 4.556 -0.000 0.000 0.342 478 H C -0.958 174.404 175.328 0.055 0.000 1.115 478 H CA -0.482 55.586 56.048 0.033 0.000 1.204 478 H CB 2.667 32.451 29.762 0.036 0.000 1.492 478 H HN 0.043 nan 8.280 nan 0.000 0.499 479 L N 3.509 124.831 121.223 0.165 0.000 2.377 479 L HA 0.410 4.749 4.340 -0.000 0.000 0.270 479 L C -1.071 175.906 176.870 0.179 0.000 0.991 479 L CA -0.412 54.526 54.840 0.163 0.000 0.851 479 L CB 0.500 42.608 42.059 0.082 0.000 1.218 479 L HN 0.715 nan 8.230 nan 0.000 0.420 480 N N 3.572 122.396 118.700 0.206 0.000 2.419 480 N HA 0.732 5.472 4.740 -0.000 0.000 0.277 480 N C -0.828 174.830 175.510 0.246 0.000 1.006 480 N CA -0.313 52.848 53.050 0.185 0.000 0.923 480 N CB 1.841 40.410 38.487 0.136 0.000 1.140 480 N HN 0.590 nan 8.380 nan 0.000 0.488 481 A N 1.289 124.256 122.820 0.244 0.000 2.401 481 A HA 0.661 4.980 4.320 -0.000 0.000 0.310 481 A C -0.832 176.930 177.584 0.297 0.000 1.075 481 A CA -0.713 51.537 52.037 0.355 0.000 0.746 481 A CB 1.277 20.518 19.000 0.402 0.000 1.277 481 A HN 0.498 nan 8.150 nan 0.000 0.425 482 S N 1.928 117.849 115.700 0.367 0.000 2.528 482 S HA 0.429 4.899 4.470 -0.000 0.000 0.303 482 S C -0.285 174.541 174.600 0.377 0.000 1.123 482 S CA -0.372 57.998 58.200 0.283 0.000 1.138 482 S CB -0.049 63.269 63.200 0.195 0.000 0.984 482 S HN 0.535 nan 8.310 nan 0.000 0.474 483 L N 4.009 125.371 121.223 0.232 0.000 2.416 483 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 483 L C -2.183 174.771 176.870 0.141 0.000 1.161 483 L CA -1.989 52.920 54.840 0.116 0.000 0.845 483 L CB -0.083 41.992 42.059 0.027 0.000 1.119 483 L HN 0.241 nan 8.230 nan 0.000 0.464 484 P HA 0.110 nan 4.420 nan 0.000 0.270 484 P C -2.485 174.874 177.300 0.098 0.000 1.223 484 P CA -1.073 62.105 63.100 0.129 0.000 0.785 484 P CB -0.175 31.602 31.700 0.130 0.000 0.923 485 P HA 0.024 nan 4.420 nan 0.000 0.267 485 P C 0.128 177.489 177.300 0.101 0.000 1.200 485 P CA 0.318 63.463 63.100 0.076 0.000 0.772 485 P CB -0.267 31.461 31.700 0.046 0.000 0.855 486 M N -0.357 119.330 119.600 0.145 0.000 3.116 486 M HA -0.198 4.282 4.480 -0.000 0.000 0.169 486 M C -1.079 175.342 176.300 0.202 0.000 1.303 486 M CA 0.795 56.241 55.300 0.243 0.000 0.799 486 M CB -2.444 30.269 32.600 0.188 0.000 1.243 486 M HN 0.316 nan 8.290 nan 0.000 0.690 487 S N 0.419 116.220 115.700 0.168 0.000 2.588 487 S HA 0.945 5.415 4.470 -0.000 0.000 0.275 487 S C -0.536 174.120 174.600 0.093 0.000 1.130 487 S CA -0.803 57.462 58.200 0.109 0.000 0.855 487 S CB 2.906 66.141 63.200 0.059 0.000 1.116 487 S HN 0.611 nan 8.310 nan 0.000 0.472 488 V N 1.682 121.639 119.914 0.073 0.000 2.531 488 V HA 0.701 4.821 4.120 -0.000 0.000 0.301 488 V C -0.518 175.624 176.094 0.080 0.000 1.034 488 V CA -0.260 62.096 62.300 0.093 0.000 0.865 488 V CB 1.696 33.558 31.823 0.064 0.000 0.995 488 V HN 1.089 nan 8.190 nan 0.000 0.424 489 T N 3.926 118.520 114.554 0.067 0.000 2.876 489 T HA 0.694 5.044 4.350 -0.000 0.000 0.289 489 T C -0.772 173.955 174.700 0.046 0.000 1.014 489 T CA -0.495 61.576 62.100 -0.048 0.000 0.986 489 T CB 2.051 70.713 68.868 -0.343 0.000 1.021 489 T HN 0.329 nan 8.240 nan 0.000 0.458 490 V N 3.829 123.770 119.914 0.045 0.000 2.540 490 V HA 0.544 4.664 4.120 -0.000 0.000 0.302 490 V C -0.655 175.449 176.094 0.017 0.000 1.035 490 V CA -0.850 61.474 62.300 0.041 0.000 0.873 490 V CB 1.625 33.486 31.823 0.064 0.000 0.992 490 V HN 0.692 nan 8.190 nan 0.000 0.428 491 L N 3.758 124.970 121.223 -0.017 0.000 2.329 491 L HA 0.651 4.991 4.340 -0.000 0.000 0.279 491 L C -0.121 176.726 176.870 -0.039 0.000 1.014 491 L CA -0.411 54.392 54.840 -0.062 0.000 0.814 491 L CB 1.982 43.941 42.059 -0.167 0.000 1.257 491 L HN 0.657 nan 8.230 nan 0.000 0.424 492 E N 3.588 123.762 120.200 -0.042 0.000 2.158 492 E HA 0.506 4.856 4.350 -0.000 0.000 0.271 492 E C -1.460 175.051 176.600 -0.149 0.000 0.911 492 E CA -0.615 55.709 56.400 -0.126 0.000 0.767 492 E CB 1.366 31.057 29.700 -0.015 0.000 1.120 492 E HN 0.494 nan 8.360 nan 0.000 0.405 493 L N 4.115 125.206 121.223 -0.219 0.000 2.287 493 L HA 0.443 4.783 4.340 -0.000 0.000 0.287 493 L C -0.307 176.481 176.870 -0.137 0.000 1.022 493 L CA -0.599 54.155 54.840 -0.144 0.000 0.814 493 L CB 1.727 43.705 42.059 -0.136 0.000 1.217 493 L HN 0.566 nan 8.230 nan 0.000 0.420 494 T N 1.341 115.849 114.554 -0.076 0.000 2.912 494 T HA 0.600 4.949 4.350 -0.000 0.000 0.288 494 T C 0.200 174.877 174.700 -0.038 0.000 1.030 494 T CA -0.551 61.514 62.100 -0.058 0.000 1.020 494 T CB 2.033 70.881 68.868 -0.033 0.000 1.056 494 T HN 0.652 nan 8.240 nan 0.000 0.480 495 A N 1.364 124.163 122.820 -0.035 0.000 2.466 495 A HA 0.644 4.964 4.320 -0.000 0.000 0.238 495 A C 1.128 178.704 177.584 -0.013 0.000 1.074 495 A CA 0.567 52.590 52.037 -0.024 0.000 0.774 495 A CB -0.970 18.016 19.000 -0.023 0.000 1.015 495 A HN 1.821 nan 8.150 nan 0.000 0.498 496 G N 0.000 108.795 108.800 -0.009 0.000 5.446 496 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 496 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 496 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925