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 1gsz_1_C DATA FIRST_RESID 10 DATA SEQUENCE AYARTLDRAV EYLLSCQKDE GYWWGPLLSN VTMEAEYVLL CHILDRVDRD DATA SEQUENCE RMEKIRRYLL HEQREDGTWA LYPGGPPDLD TTIEAYVALK YIGMSRDEEP DATA SEQUENCE MQKALRFIQS QGGIESSRVF TRMWLALVGE YPWEKVPMVP PEIMFLGKRM DATA SEQUENCE PLNIYEFGSW ARATVVALSI VMSRQPVFPL PERARVPELY ETDVPPRRRG DATA SEQUENCE AKGGGGWIFD ALDRALHGYQ KLSVHPFRRA AEIRALDWLL ERQAGDGSWG DATA SEQUENCE GIQPPWFYAL IALKILDMTQ HPAFIKGWEG LELYGVELDY GGWMFQASIS DATA SEQUENCE PVWDTGLAVL ALRAAGLPAD HDRLVKAGEW LLDRQITVPG DWAVKRPNLK DATA SEQUENCE PGGFAFQFDN VYYPDVDDTA VVVWALNTLR LPDERRRRDA MTKGFRWIVG DATA SEQUENCE MQSSNGGWGA YDVDNTSDLP NHIPFCDFGE VTDPPSEDVT AHVLECFGSF DATA SEQUENCE GYDDAWKVIR RAVEYLKREQ KPDGSWFGRW GVNYLYGTGA VVSALKAVGI DATA SEQUENCE DTREPYIQKA LDWVEQHQNP DGGWGEDCRS YEDPAYAGKG ASTPSQTAWA DATA SEQUENCE LMALIAGGRA ESEAARRGVQ YLVETQRPDG GWDEPYYTGT GFPGDFYLGY DATA SEQUENCE TMYRHVFPTL ALGRYKQAI 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.543 177.584 -0.069 0.000 1.274 10 A CA 0.000 51.937 52.037 -0.168 0.000 0.836 10 A CB 0.000 18.913 19.000 -0.144 0.000 0.831 11 Y N 0.326 120.697 120.300 0.118 0.000 2.293 11 Y HA 0.390 4.940 4.550 -0.000 0.000 0.291 11 Y C 2.327 178.300 175.900 0.121 0.000 1.137 11 Y CA 1.141 59.324 58.100 0.139 0.000 1.202 11 Y CB -1.422 37.163 38.460 0.208 0.000 0.990 11 Y HN 0.406 nan 8.280 nan 0.000 0.537 12 A N 1.152 124.255 122.820 0.472 0.000 2.131 12 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 12 A C 2.332 180.023 177.584 0.178 0.000 1.158 12 A CA 1.291 53.542 52.037 0.357 0.000 0.665 12 A CB -0.765 18.384 19.000 0.248 0.000 0.795 12 A HN 0.538 nan 8.150 nan 0.000 0.460 13 R N -1.170 119.400 120.500 0.117 0.000 2.092 13 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 13 R C 2.190 178.536 176.300 0.077 0.000 1.119 13 R CA 1.678 57.819 56.100 0.069 0.000 0.970 13 R CB -0.473 29.847 30.300 0.033 0.000 0.864 13 R HN 0.534 nan 8.270 nan 0.000 0.440 14 T N 1.646 116.270 114.554 0.117 0.000 2.614 14 T HA -0.143 4.206 4.350 -0.000 0.000 0.263 14 T C 1.855 176.639 174.700 0.140 0.000 1.055 14 T CA 1.126 63.292 62.100 0.110 0.000 1.162 14 T CB -0.288 68.702 68.868 0.203 0.000 0.863 14 T HN 0.126 nan 8.240 nan 0.000 0.414 15 L N 1.028 122.372 121.223 0.201 0.000 2.051 15 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 15 L C 2.451 179.398 176.870 0.128 0.000 1.076 15 L CA 1.503 56.450 54.840 0.178 0.000 0.758 15 L CB -0.583 41.580 42.059 0.173 0.000 0.890 15 L HN 0.292 nan 8.230 nan 0.000 0.433 16 D N -0.855 119.610 120.400 0.109 0.000 2.264 16 D HA -0.133 4.506 4.640 -0.000 0.000 0.208 16 D C 2.305 178.643 176.300 0.063 0.000 0.966 16 D CA 0.922 54.969 54.000 0.079 0.000 0.864 16 D CB 0.047 40.887 40.800 0.067 0.000 0.933 16 D HN 0.358 nan 8.370 nan 0.000 0.499 17 R N 0.395 120.924 120.500 0.049 0.000 2.064 17 R HA 0.134 4.473 4.340 -0.000 0.000 0.221 17 R C 2.331 178.660 176.300 0.047 0.000 1.136 17 R CA 0.820 56.931 56.100 0.018 0.000 0.980 17 R CB -0.204 30.067 30.300 -0.048 0.000 0.876 17 R HN 0.014 nan 8.270 nan 0.000 0.437 18 A N 0.824 123.680 122.820 0.061 0.000 1.986 18 A HA -0.137 4.182 4.320 -0.000 0.000 0.220 18 A C 2.260 179.962 177.584 0.196 0.000 1.171 18 A CA 1.483 53.616 52.037 0.160 0.000 0.640 18 A CB -0.498 18.721 19.000 0.366 0.000 0.811 18 A HN 0.122 nan 8.150 nan 0.000 0.451 19 V N 0.838 120.831 119.914 0.131 0.000 2.379 19 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 19 V C 2.377 178.517 176.094 0.077 0.000 1.044 19 V CA 2.060 64.411 62.300 0.085 0.000 1.036 19 V CB -0.854 31.001 31.823 0.054 0.000 0.664 19 V HN 0.913 nan 8.190 nan 0.000 0.453 20 E N -0.784 119.465 120.200 0.082 0.000 2.478 20 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 20 E C 1.966 178.610 176.600 0.073 0.000 1.046 20 E CA 1.068 57.506 56.400 0.063 0.000 0.870 20 E CB -0.356 29.377 29.700 0.054 0.000 0.818 20 E HN 0.708 nan 8.360 nan 0.000 0.527 21 Y N 1.647 121.939 120.300 -0.012 0.000 2.163 21 Y HA 0.042 4.592 4.550 -0.000 0.000 0.288 21 Y C 1.935 177.830 175.900 -0.008 0.000 1.112 21 Y CA 1.066 59.143 58.100 -0.038 0.000 1.104 21 Y CB -0.279 38.138 38.460 -0.072 0.000 1.016 21 Y HN -0.063 nan 8.280 nan 0.000 0.497 22 L N 0.059 121.278 121.223 -0.007 0.000 2.089 22 L HA -0.299 4.041 4.340 -0.000 0.000 0.213 22 L C 2.287 179.257 176.870 0.166 0.000 1.079 22 L CA 1.614 56.449 54.840 -0.010 0.000 0.758 22 L CB -0.704 41.336 42.059 -0.031 0.000 0.891 22 L HN 0.347 nan 8.230 nan 0.000 0.433 23 L N -0.860 120.414 121.223 0.085 0.000 2.376 23 L HA -0.112 4.227 4.340 -0.000 0.000 0.219 23 L C 2.693 179.524 176.870 -0.065 0.000 1.133 23 L CA 0.978 55.861 54.840 0.073 0.000 0.816 23 L CB -0.388 41.684 42.059 0.021 0.000 0.933 23 L HN 0.340 nan 8.230 nan 0.000 0.449 24 S N -1.720 113.894 115.700 -0.143 0.000 2.425 24 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 24 S C 1.960 176.407 174.600 -0.257 0.000 1.024 24 S CA 0.536 58.614 58.200 -0.203 0.000 0.951 24 S CB -0.561 62.497 63.200 -0.236 0.000 0.796 24 S HN 0.428 nan 8.310 nan 0.000 0.498 25 C N 1.555 120.686 119.300 -0.281 0.000 2.468 25 C HA 0.218 4.678 4.460 -0.000 0.000 0.277 25 C C 1.524 176.337 174.990 -0.295 0.000 1.400 25 C CA -0.264 58.621 59.018 -0.221 0.000 1.770 25 C CB -1.515 26.152 27.740 -0.121 0.000 1.905 25 C HN 0.732 nan 8.230 nan 0.000 0.519 26 Q N 1.757 121.270 119.800 -0.479 0.000 2.263 26 Q HA 0.027 4.367 4.340 -0.000 0.000 0.289 26 Q C -0.064 175.478 176.000 -0.762 0.000 1.061 26 Q CA 0.649 55.780 55.803 -1.121 0.000 0.927 26 Q CB 0.538 28.573 28.738 -1.172 0.000 1.154 26 Q HN 0.371 nan 8.270 nan 0.000 0.378 27 K N 2.720 122.591 120.400 -0.882 0.000 2.132 27 K HA 0.017 4.336 4.320 -0.000 0.000 0.240 27 K C 0.291 176.517 176.600 -0.623 0.000 1.036 27 K CA 0.151 56.011 56.287 -0.712 0.000 0.888 27 K CB 0.465 32.374 32.500 -0.986 0.000 1.071 27 K HN 0.601 nan 8.250 nan 0.000 0.502 28 D N 0.744 120.889 120.400 -0.425 0.000 2.078 28 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 28 D C 1.185 177.314 176.300 -0.284 0.000 0.990 28 D CA 1.376 55.200 54.000 -0.294 0.000 0.827 28 D CB -0.086 40.606 40.800 -0.179 0.000 0.975 28 D HN 0.509 nan 8.370 nan 0.000 0.451 29 E N -0.379 119.674 120.200 -0.246 0.000 2.339 29 E HA -0.025 4.325 4.350 -0.000 0.000 0.201 29 E C 1.476 177.956 176.600 -0.200 0.000 1.015 29 E CA 1.340 57.682 56.400 -0.096 0.000 0.841 29 E CB -0.362 29.421 29.700 0.138 0.000 0.754 29 E HN 0.431 nan 8.360 nan 0.000 0.508 30 G N -1.284 107.226 108.800 -0.483 0.000 2.168 30 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.197 30 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.197 30 G C -0.200 174.270 174.900 -0.717 0.000 0.997 30 G CA -0.095 44.703 45.100 -0.503 0.000 0.658 30 G HN 0.326 nan 8.290 nan 0.000 0.513 31 Y N -1.413 118.320 120.300 -0.945 0.000 2.587 31 Y HA 0.868 5.418 4.550 -0.000 0.000 0.337 31 Y C -0.036 175.444 175.900 -0.701 0.000 1.065 31 Y CA -2.900 54.632 58.100 -0.946 0.000 1.126 31 Y CB 1.095 38.538 38.460 -1.694 0.000 1.279 31 Y HN 0.074 nan 8.280 nan 0.000 0.489 32 W N 1.434 122.661 121.300 -0.123 0.000 2.578 32 W HA 0.333 4.993 4.660 -0.000 0.000 0.346 32 W C -1.611 175.056 176.519 0.246 0.000 1.075 32 W CA -0.807 56.518 57.345 -0.032 0.000 1.233 32 W CB 1.996 31.422 29.460 -0.058 0.000 1.358 32 W HN 0.771 nan 8.180 nan 0.000 0.574 33 W N 2.579 124.000 121.300 0.201 0.000 2.680 33 W HA 0.453 5.112 4.660 -0.000 0.000 0.305 33 W C -0.846 175.715 176.519 0.070 0.000 1.033 33 W CA -1.410 56.014 57.345 0.130 0.000 1.242 33 W CB 0.484 30.075 29.460 0.218 0.000 1.138 33 W HN 0.363 nan 8.180 nan 0.000 0.358 34 G N 4.777 113.692 108.800 0.193 0.000 2.377 34 G HA2 0.603 4.563 3.960 -0.000 0.000 0.299 34 G HA3 0.603 4.563 3.960 -0.000 0.000 0.299 34 G C -2.764 172.036 174.900 -0.166 0.000 1.150 34 G CA -1.340 43.756 45.100 -0.005 0.000 0.847 34 G HN 0.127 nan 8.290 nan 0.000 0.501 35 P HA 0.141 nan 4.420 nan 0.000 0.268 35 P C -0.451 176.724 177.300 -0.208 0.000 1.205 35 P CA -0.469 62.445 63.100 -0.311 0.000 0.771 35 P CB 0.998 32.518 31.700 -0.300 0.000 0.858 36 L N 4.400 125.501 121.223 -0.204 0.000 2.275 36 L HA 0.334 4.673 4.340 -0.000 0.000 0.288 36 L C -1.053 175.679 176.870 -0.231 0.000 1.046 36 L CA -0.336 54.347 54.840 -0.262 0.000 0.805 36 L CB 0.265 42.196 42.059 -0.212 0.000 1.193 36 L HN 0.124 nan 8.230 nan 0.000 0.426 37 L N 4.477 125.524 121.223 -0.293 0.000 2.307 37 L HA 0.620 4.959 4.340 -0.000 0.000 0.282 37 L C 0.700 177.382 176.870 -0.314 0.000 1.051 37 L CA 0.238 54.952 54.840 -0.210 0.000 0.804 37 L CB 1.042 43.031 42.059 -0.117 0.000 1.197 37 L HN 0.937 nan 8.230 nan 0.000 0.431 38 S N 2.355 118.016 115.700 -0.066 0.000 3.756 38 S HA 0.603 5.073 4.470 -0.000 0.000 0.183 38 S C -0.284 174.430 174.600 0.190 0.000 1.093 38 S CA -0.237 57.912 58.200 -0.086 0.000 1.303 38 S CB 1.114 64.260 63.200 -0.090 0.000 1.593 38 S HN 0.626 nan 8.310 nan 0.000 0.841 39 N N -0.450 118.374 118.700 0.206 0.000 2.708 39 N HA 0.394 5.134 4.740 -0.000 0.000 0.257 39 N C 0.283 175.926 175.510 0.223 0.000 1.373 39 N CA -0.418 52.781 53.050 0.248 0.000 0.843 39 N CB 1.393 40.036 38.487 0.260 0.000 1.503 39 N HN 0.791 nan 8.380 nan 0.000 0.504 40 V N -2.634 117.378 119.914 0.164 0.000 3.284 40 V HA -0.162 3.957 4.120 -0.000 0.000 0.273 40 V C 1.438 177.535 176.094 0.004 0.000 1.178 40 V CA 1.948 64.311 62.300 0.104 0.000 1.177 40 V CB -2.091 29.636 31.823 -0.160 0.000 0.793 40 V HN 0.882 nan 8.190 nan 0.000 0.536 41 T N -2.519 112.038 114.554 0.005 0.000 2.867 41 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 41 T C 1.866 176.483 174.700 -0.138 0.000 1.057 41 T CA 1.535 63.577 62.100 -0.097 0.000 1.136 41 T CB -0.391 68.426 68.868 -0.085 0.000 0.874 41 T HN 0.395 nan 8.240 nan 0.000 0.466 42 M N 1.567 121.145 119.600 -0.036 0.000 2.065 42 M HA -0.054 4.425 4.480 -0.000 0.000 0.259 42 M C 2.243 178.513 176.300 -0.050 0.000 1.069 42 M CA 1.796 57.045 55.300 -0.085 0.000 1.110 42 M CB -1.220 31.434 32.600 0.089 0.000 1.328 42 M HN 0.269 nan 8.290 nan 0.000 0.405 43 E N 0.847 121.076 120.200 0.048 0.000 2.072 43 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 43 E C 2.185 178.837 176.600 0.086 0.000 0.985 43 E CA 1.598 58.075 56.400 0.128 0.000 0.801 43 E CB -0.594 29.216 29.700 0.183 0.000 0.750 43 E HN 0.529 nan 8.360 nan 0.000 0.452 44 A N 0.908 123.706 122.820 -0.038 0.000 1.908 44 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 44 A C 2.018 179.436 177.584 -0.277 0.000 1.181 44 A CA 1.836 53.785 52.037 -0.147 0.000 0.627 44 A CB -0.518 18.346 19.000 -0.226 0.000 0.818 44 A HN 0.217 nan 8.150 nan 0.000 0.445 45 E N -2.009 117.940 120.200 -0.419 0.000 2.152 45 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 45 E C 1.751 178.161 176.600 -0.317 0.000 0.983 45 E CA 1.084 57.005 56.400 -0.798 0.000 0.818 45 E CB -0.255 28.832 29.700 -1.022 0.000 0.758 45 E HN 0.791 nan 8.360 nan 0.000 0.467 46 Y N 0.703 120.946 120.300 -0.094 0.000 2.145 46 Y HA -0.264 4.286 4.550 -0.000 0.000 0.286 46 Y C 2.053 177.881 175.900 -0.121 0.000 1.145 46 Y CA 1.254 59.338 58.100 -0.027 0.000 1.148 46 Y CB -0.282 38.188 38.460 0.016 0.000 0.981 46 Y HN -0.171 nan 8.280 nan 0.000 0.507 47 V N 0.675 120.629 119.914 0.067 0.000 2.324 47 V HA -0.364 3.756 4.120 -0.000 0.000 0.250 47 V C 2.448 178.399 176.094 -0.238 0.000 1.060 47 V CA 2.240 64.511 62.300 -0.049 0.000 1.042 47 V CB -0.791 31.007 31.823 -0.041 0.000 0.650 47 V HN 0.474 nan 8.190 nan 0.000 0.450 48 L N -1.121 119.947 121.223 -0.258 0.000 2.072 48 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 48 L C 2.411 179.282 176.870 0.002 0.000 1.079 48 L CA 1.024 55.759 54.840 -0.176 0.000 0.752 48 L CB -0.529 41.428 42.059 -0.171 0.000 0.906 48 L HN 0.343 nan 8.230 nan 0.000 0.436 49 L N -0.349 120.855 121.223 -0.033 0.000 2.042 49 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 49 L C 2.537 179.289 176.870 -0.196 0.000 1.076 49 L CA 1.825 56.640 54.840 -0.042 0.000 0.749 49 L CB -0.703 41.173 42.059 -0.305 0.000 0.893 49 L HN 0.252 nan 8.230 nan 0.000 0.432 50 C N -0.734 118.391 119.300 -0.292 0.000 2.413 50 C HA -0.192 4.268 4.460 -0.000 0.000 0.276 50 C C 2.704 177.620 174.990 -0.123 0.000 1.248 50 C CA 1.043 59.932 59.018 -0.214 0.000 1.742 50 C CB -1.422 26.193 27.740 -0.208 0.000 2.017 50 C HN 0.817 nan 8.230 nan 0.000 0.481 51 H N 1.028 119.981 119.070 -0.195 0.000 2.321 51 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 51 H C 1.987 177.234 175.328 -0.134 0.000 1.087 51 H CA 1.907 57.880 56.048 -0.124 0.000 1.319 51 H CB -0.298 29.311 29.762 -0.256 0.000 1.379 51 H HN 0.252 nan 8.280 nan 0.000 0.501 52 I N 0.618 120.988 120.570 -0.334 0.000 2.163 52 I HA -0.242 3.927 4.170 -0.000 0.000 0.243 52 I C 2.083 177.818 176.117 -0.637 0.000 1.085 52 I CA 1.271 62.187 61.300 -0.640 0.000 1.347 52 I CB -1.053 36.652 38.000 -0.492 0.000 1.044 52 I HN 0.358 nan 8.210 nan 0.000 0.408 53 L N 0.316 121.301 121.223 -0.397 0.000 2.627 53 L HA -0.020 4.320 4.340 -0.000 0.000 0.233 53 L C 0.279 176.966 176.870 -0.305 0.000 1.144 53 L CA 0.104 54.747 54.840 -0.329 0.000 0.892 53 L CB -0.759 41.119 42.059 -0.301 0.000 1.039 53 L HN 0.271 nan 8.230 nan 0.000 0.442 54 D N 1.819 122.052 120.400 -0.278 0.000 2.686 54 D HA -0.231 4.409 4.640 -0.000 0.000 0.235 54 D C 0.283 176.491 176.300 -0.153 0.000 1.160 54 D CA 0.736 54.628 54.000 -0.180 0.000 0.645 54 D CB -0.276 40.435 40.800 -0.149 0.000 1.039 54 D HN 0.359 nan 8.370 nan 0.000 0.423 55 R N -0.065 120.339 120.500 -0.160 0.000 2.738 55 R HA 0.295 4.634 4.340 -0.000 0.000 0.280 55 R C -0.736 175.573 176.300 0.015 0.000 1.456 55 R CA -0.662 55.366 56.100 -0.121 0.000 1.612 55 R CB 1.198 31.286 30.300 -0.354 0.000 1.286 55 R HN -0.023 nan 8.270 nan 0.000 0.660 56 V N 1.298 121.237 119.914 0.042 0.000 2.461 56 V HA 0.091 4.211 4.120 -0.000 0.000 0.275 56 V C 0.058 176.199 176.094 0.078 0.000 1.047 56 V CA -0.298 62.055 62.300 0.088 0.000 0.955 56 V CB 1.493 33.406 31.823 0.150 0.000 0.988 56 V HN 0.321 nan 8.190 nan 0.000 0.471 57 D N 4.409 124.852 120.400 0.073 0.000 2.460 57 D HA 0.294 4.933 4.640 -0.000 0.000 0.232 57 D C 1.251 177.571 176.300 0.033 0.000 1.079 57 D CA -0.578 53.449 54.000 0.045 0.000 0.864 57 D CB 0.838 41.654 40.800 0.026 0.000 1.048 57 D HN 0.229 nan 8.370 nan 0.000 0.523 58 R N 2.363 122.884 120.500 0.035 0.000 2.140 58 R HA -0.191 4.149 4.340 -0.000 0.000 0.250 58 R C 1.239 177.551 176.300 0.020 0.000 1.150 58 R CA 1.263 57.382 56.100 0.030 0.000 0.966 58 R CB -0.384 29.930 30.300 0.023 0.000 0.869 58 R HN 0.657 nan 8.270 nan 0.000 0.445 59 D N 0.018 120.421 120.400 0.006 0.000 2.178 59 D HA -0.162 4.478 4.640 -0.000 0.000 0.202 59 D C 1.848 178.129 176.300 -0.032 0.000 0.974 59 D CA 0.822 54.818 54.000 -0.007 0.000 0.841 59 D CB 0.215 41.008 40.800 -0.012 0.000 0.953 59 D HN 0.025 nan 8.370 nan 0.000 0.478 60 R N -0.306 120.154 120.500 -0.065 0.000 2.173 60 R HA 0.063 4.403 4.340 -0.000 0.000 0.208 60 R C 2.228 178.487 176.300 -0.068 0.000 1.035 60 R CA 0.558 56.563 56.100 -0.158 0.000 1.004 60 R CB -0.252 29.880 30.300 -0.280 0.000 0.917 60 R HN 0.069 nan 8.270 nan 0.000 0.462 61 M N 0.612 120.220 119.600 0.013 0.000 2.175 61 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 61 M C 1.592 177.943 176.300 0.084 0.000 1.063 61 M CA 1.402 56.748 55.300 0.076 0.000 1.119 61 M CB -0.713 31.949 32.600 0.104 0.000 1.377 61 M HN 0.093 nan 8.290 nan 0.000 0.415 62 E N 0.979 121.215 120.200 0.060 0.000 2.038 62 E HA -0.164 4.185 4.350 -0.000 0.000 0.195 62 E C 2.021 178.681 176.600 0.099 0.000 1.000 62 E CA 1.376 57.819 56.400 0.073 0.000 0.803 62 E CB -0.241 29.489 29.700 0.051 0.000 0.750 62 E HN 0.486 nan 8.360 nan 0.000 0.448 63 K N 0.273 120.717 120.400 0.074 0.000 2.097 63 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 63 K C 2.202 178.917 176.600 0.192 0.000 1.049 63 K CA 0.820 57.170 56.287 0.106 0.000 0.933 63 K CB -0.136 32.406 32.500 0.070 0.000 0.717 63 K HN 0.106 nan 8.250 nan 0.000 0.442 64 I N 0.498 121.180 120.570 0.187 0.000 3.001 64 I HA -0.186 3.983 4.170 -0.000 0.000 0.268 64 I C 2.401 178.703 176.117 0.308 0.000 1.267 64 I CA 0.673 62.140 61.300 0.278 0.000 1.472 64 I CB -0.026 38.110 38.000 0.227 0.000 1.089 64 I HN 0.145 nan 8.210 nan 0.000 0.468 65 R N 0.648 121.292 120.500 0.240 0.000 2.105 65 R HA 0.034 4.373 4.340 -0.000 0.000 0.214 65 R C 2.431 178.893 176.300 0.271 0.000 1.091 65 R CA 0.367 56.604 56.100 0.229 0.000 1.007 65 R CB 0.091 30.489 30.300 0.163 0.000 0.912 65 R HN 0.163 nan 8.270 nan 0.000 0.450 66 R N -0.399 120.269 120.500 0.280 0.000 2.096 66 R HA -0.248 4.091 4.340 -0.000 0.000 0.240 66 R C 2.194 178.785 176.300 0.485 0.000 1.139 66 R CA 2.124 58.432 56.100 0.347 0.000 0.952 66 R CB -0.835 29.681 30.300 0.361 0.000 0.854 66 R HN 0.292 nan 8.270 nan 0.000 0.436 67 Y N 1.793 122.313 120.300 0.367 0.000 2.049 67 Y HA -0.246 4.304 4.550 -0.000 0.000 0.277 67 Y C 2.205 178.321 175.900 0.360 0.000 1.143 67 Y CA 1.604 59.931 58.100 0.379 0.000 1.115 67 Y CB -0.655 37.935 38.460 0.215 0.000 0.975 67 Y HN -0.050 nan 8.280 nan 0.000 0.487 68 L N -0.625 120.744 121.223 0.242 0.000 2.051 68 L HA -0.313 4.027 4.340 -0.000 0.000 0.214 68 L C 2.380 179.463 176.870 0.356 0.000 1.076 68 L CA 1.168 56.114 54.840 0.177 0.000 0.758 68 L CB -0.665 41.532 42.059 0.229 0.000 0.890 68 L HN 0.354 nan 8.230 nan 0.000 0.433 69 L N -1.141 120.252 121.223 0.284 0.000 2.044 69 L HA -0.226 4.114 4.340 -0.000 0.000 0.205 69 L C 2.582 179.503 176.870 0.085 0.000 1.075 69 L CA 1.754 56.712 54.840 0.197 0.000 0.747 69 L CB -1.964 40.178 42.059 0.138 0.000 0.903 69 L HN 0.412 nan 8.230 nan 0.000 0.435 70 H N 0.725 119.785 119.070 -0.016 0.000 2.426 70 H HA -0.174 4.382 4.556 -0.000 0.000 0.298 70 H C 1.619 176.851 175.328 -0.160 0.000 1.107 70 H CA 1.543 57.502 56.048 -0.149 0.000 1.298 70 H CB 0.466 30.059 29.762 -0.281 0.000 1.377 70 H HN 0.324 nan 8.280 nan 0.000 0.519 71 E N 0.695 120.943 120.200 0.080 0.000 2.371 71 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 71 E C 0.790 177.336 176.600 -0.090 0.000 1.012 71 E CA 0.018 56.443 56.400 0.041 0.000 0.860 71 E CB 0.076 29.760 29.700 -0.026 0.000 0.811 71 E HN 0.597 nan 8.360 nan 0.000 0.502 72 Q N 1.361 120.984 119.800 -0.295 0.000 2.352 72 Q HA 0.111 4.451 4.340 -0.000 0.000 0.260 72 Q C -0.519 175.127 176.000 -0.589 0.000 0.976 72 Q CA -0.077 55.138 55.803 -0.979 0.000 0.881 72 Q CB 0.599 28.706 28.738 -1.053 0.000 1.235 72 Q HN -0.113 nan 8.270 nan 0.000 0.419 73 R N 2.014 122.165 120.500 -0.581 0.000 2.549 73 R HA 0.128 4.468 4.340 -0.000 0.000 0.267 73 R C 1.181 177.282 176.300 -0.331 0.000 1.045 73 R CA -0.621 55.250 56.100 -0.382 0.000 1.115 73 R CB 0.391 30.498 30.300 -0.322 0.000 1.121 73 R HN 0.679 nan 8.270 nan 0.000 0.543 74 E N 1.363 121.414 120.200 -0.248 0.000 2.181 74 E HA -0.329 4.020 4.350 -0.000 0.000 0.225 74 E C 0.988 177.474 176.600 -0.191 0.000 1.073 74 E CA 2.692 58.974 56.400 -0.196 0.000 0.916 74 E CB -0.181 29.424 29.700 -0.157 0.000 0.793 74 E HN 0.756 nan 8.360 nan 0.000 0.472 75 D N -1.708 118.567 120.400 -0.208 0.000 2.371 75 D HA 0.042 4.682 4.640 -0.000 0.000 0.221 75 D C 1.193 177.371 176.300 -0.205 0.000 0.986 75 D CA 0.960 54.846 54.000 -0.190 0.000 0.899 75 D CB 0.027 40.701 40.800 -0.209 0.000 0.902 75 D HN 0.326 nan 8.370 nan 0.000 0.530 76 G N -0.319 108.310 108.800 -0.285 0.000 2.131 76 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.223 76 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.223 76 G C 0.339 175.000 174.900 -0.398 0.000 0.990 76 G CA 0.332 45.244 45.100 -0.313 0.000 0.671 76 G HN 0.819 nan 8.290 nan 0.000 0.521 77 T N -2.966 111.305 114.554 -0.471 0.000 2.940 77 T HA 0.767 5.117 4.350 -0.000 0.000 0.288 77 T C -0.409 174.056 174.700 -0.391 0.000 1.045 77 T CA -0.953 60.954 62.100 -0.322 0.000 1.018 77 T CB 2.408 70.984 68.868 -0.488 0.000 1.151 77 T HN 0.487 nan 8.240 nan 0.000 0.529 78 W N -0.026 121.245 121.300 -0.049 0.000 2.844 78 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 78 W C -0.130 176.370 176.519 -0.032 0.000 1.093 78 W CA -1.144 56.178 57.345 -0.038 0.000 1.212 78 W CB 2.437 31.907 29.460 0.017 0.000 1.422 78 W HN 1.096 nan 8.180 nan 0.000 0.515 79 A N 1.612 124.526 122.820 0.156 0.000 2.389 79 A HA 0.663 4.983 4.320 -0.000 0.000 0.293 79 A C 0.441 178.104 177.584 0.132 0.000 1.186 79 A CA -0.556 51.517 52.037 0.059 0.000 0.828 79 A CB 1.147 20.045 19.000 -0.169 0.000 1.369 79 A HN 0.687 nan 8.150 nan 0.000 0.446 80 L N -1.092 120.241 121.223 0.184 0.000 2.095 80 L HA 0.081 4.421 4.340 -0.000 0.000 0.204 80 L C 0.390 177.513 176.870 0.423 0.000 1.080 80 L CA 1.063 56.145 54.840 0.403 0.000 0.759 80 L CB -0.544 41.910 42.059 0.658 0.000 0.914 80 L HN 0.794 nan 8.230 nan 0.000 0.439 81 Y N -1.969 118.342 120.300 0.017 0.000 2.633 81 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 81 Y C -2.744 172.940 175.900 -0.359 0.000 1.045 81 Y CA -4.342 53.576 58.100 -0.305 0.000 1.098 81 Y CB -0.898 37.420 38.460 -0.237 0.000 1.296 81 Y HN -0.226 nan 8.280 nan 0.000 0.494 82 P HA 0.249 nan 4.420 nan 0.000 0.276 82 P C 0.505 177.703 177.300 -0.170 0.000 1.253 82 P CA 0.954 63.865 63.100 -0.315 0.000 0.766 82 P CB 1.063 32.556 31.700 -0.345 0.000 0.845 83 G N 2.103 110.771 108.800 -0.220 0.000 2.141 83 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.231 83 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.231 83 G C 0.392 175.098 174.900 -0.323 0.000 0.984 83 G CA -0.271 44.738 45.100 -0.152 0.000 0.660 83 G HN 0.880 nan 8.290 nan 0.000 0.525 84 G N 0.011 108.413 108.800 -0.663 0.000 2.477 84 G HA2 0.759 4.719 3.960 -0.000 0.000 0.304 84 G HA3 0.759 4.719 3.960 -0.000 0.000 0.304 84 G C -1.697 172.906 174.900 -0.494 0.000 1.175 84 G CA -0.798 43.669 45.100 -1.056 0.000 0.907 84 G HN 0.231 nan 8.290 nan 0.000 0.509 85 P HA 0.177 nan 4.420 nan 0.000 0.269 85 P C -2.479 174.747 177.300 -0.122 0.000 1.209 85 P CA -0.954 62.059 63.100 -0.146 0.000 0.776 85 P CB 0.523 32.211 31.700 -0.019 0.000 0.876 86 P HA -0.004 nan 4.420 nan 0.000 0.266 86 P C -0.418 176.967 177.300 0.142 0.000 1.195 86 P CA 0.555 63.528 63.100 -0.212 0.000 0.768 86 P CB 0.680 31.858 31.700 -0.871 0.000 0.838 87 D N 2.514 123.076 120.400 0.271 0.000 2.256 87 D HA 0.086 4.726 4.640 -0.000 0.000 0.240 87 D C 0.970 177.540 176.300 0.450 0.000 1.062 87 D CA -0.617 53.593 54.000 0.351 0.000 0.832 87 D CB 1.607 42.579 40.800 0.287 0.000 1.135 87 D HN 0.063 nan 8.370 nan 0.000 0.484 88 L N 4.811 126.225 121.223 0.319 0.000 1.994 88 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 88 L C 1.528 178.452 176.870 0.090 0.000 1.071 88 L CA 1.899 56.799 54.840 0.100 0.000 0.745 88 L CB -0.401 41.617 42.059 -0.069 0.000 0.892 88 L HN 0.445 nan 8.230 nan 0.000 0.431 89 D N -0.936 119.516 120.400 0.088 0.000 2.087 89 D HA -0.204 4.436 4.640 -0.000 0.000 0.192 89 D C 1.932 178.258 176.300 0.043 0.000 0.993 89 D CA 2.245 56.267 54.000 0.038 0.000 0.828 89 D CB -0.552 40.266 40.800 0.031 0.000 0.968 89 D HN 0.399 nan 8.370 nan 0.000 0.448 90 T N 0.566 115.184 114.554 0.106 0.000 2.803 90 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 90 T C 2.019 176.738 174.700 0.032 0.000 1.052 90 T CA 1.552 63.695 62.100 0.072 0.000 1.136 90 T CB -0.342 68.626 68.868 0.166 0.000 0.864 90 T HN 0.167 nan 8.240 nan 0.000 0.467 91 T N 1.670 116.347 114.554 0.205 0.000 2.937 91 T HA 0.200 4.550 4.350 -0.000 0.000 0.260 91 T C 2.007 176.798 174.700 0.151 0.000 1.051 91 T CA 0.406 62.705 62.100 0.331 0.000 1.141 91 T CB -0.232 69.014 68.868 0.630 0.000 0.879 91 T HN 0.317 nan 8.240 nan 0.000 0.459 92 I N 1.304 121.921 120.570 0.078 0.000 2.127 92 I HA -0.199 3.971 4.170 -0.000 0.000 0.241 92 I C 2.664 178.798 176.117 0.029 0.000 1.075 92 I CA 1.537 62.859 61.300 0.037 0.000 1.334 92 I CB -0.421 37.556 38.000 -0.039 0.000 1.040 92 I HN 0.313 nan 8.210 nan 0.000 0.405 93 E N 0.920 121.084 120.200 -0.062 0.000 2.058 93 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 93 E C 2.313 178.793 176.600 -0.200 0.000 0.997 93 E CA 1.459 57.778 56.400 -0.136 0.000 0.801 93 E CB -0.242 29.345 29.700 -0.188 0.000 0.746 93 E HN 0.536 nan 8.360 nan 0.000 0.450 94 A N 0.604 123.210 122.820 -0.356 0.000 1.972 94 A HA -0.201 4.118 4.320 -0.000 0.000 0.219 94 A C 1.978 179.372 177.584 -0.316 0.000 1.169 94 A CA 1.205 52.884 52.037 -0.596 0.000 0.635 94 A CB -0.638 17.409 19.000 -1.588 0.000 0.810 94 A HN 0.400 nan 8.150 nan 0.000 0.446 95 Y N 0.862 121.034 120.300 -0.214 0.000 2.114 95 Y HA -0.189 4.361 4.550 -0.000 0.000 0.284 95 Y C 2.286 178.190 175.900 0.007 0.000 1.143 95 Y CA 2.129 60.234 58.100 0.010 0.000 1.135 95 Y CB -0.336 38.172 38.460 0.080 0.000 0.980 95 Y HN 0.076 nan 8.280 nan 0.000 0.499 96 V N 0.679 120.595 119.914 0.002 0.000 2.358 96 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 96 V C 2.711 178.752 176.094 -0.087 0.000 1.047 96 V CA 1.593 63.852 62.300 -0.068 0.000 1.035 96 V CB -1.851 29.982 31.823 0.015 0.000 0.658 96 V HN 0.546 nan 8.190 nan 0.000 0.452 97 A N 0.426 123.189 122.820 -0.096 0.000 1.873 97 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 97 A C 2.265 179.854 177.584 0.008 0.000 1.193 97 A CA 2.218 54.215 52.037 -0.067 0.000 0.629 97 A CB -0.671 18.271 19.000 -0.097 0.000 0.826 97 A HN 0.494 nan 8.150 nan 0.000 0.447 98 L N -0.831 120.373 121.223 -0.032 0.000 1.994 98 L HA -0.208 4.131 4.340 -0.000 0.000 0.208 98 L C 2.643 179.490 176.870 -0.037 0.000 1.071 98 L CA 2.013 56.855 54.840 0.003 0.000 0.745 98 L CB -0.457 41.617 42.059 0.025 0.000 0.892 98 L HN 0.467 nan 8.230 nan 0.000 0.431 99 K N -0.699 119.601 120.400 -0.166 0.000 2.218 99 K HA -0.274 4.046 4.320 -0.000 0.000 0.205 99 K C 2.174 178.744 176.600 -0.051 0.000 1.046 99 K CA 1.616 57.800 56.287 -0.172 0.000 0.933 99 K CB -0.176 32.126 32.500 -0.330 0.000 0.728 99 K HN 0.257 nan 8.250 nan 0.000 0.454 100 Y N 0.655 120.887 120.300 -0.114 0.000 2.286 100 Y HA 0.002 4.551 4.550 -0.000 0.000 0.293 100 Y C 1.561 177.434 175.900 -0.045 0.000 1.124 100 Y CA 1.146 59.196 58.100 -0.083 0.000 1.178 100 Y CB 0.084 38.485 38.460 -0.099 0.000 1.010 100 Y HN -0.030 nan 8.280 nan 0.000 0.536 101 I N -0.665 119.982 120.570 0.130 0.000 2.394 101 I HA -0.122 4.048 4.170 -0.000 0.000 0.251 101 I C 2.064 178.167 176.117 -0.024 0.000 1.136 101 I CA 1.715 63.061 61.300 0.076 0.000 1.425 101 I CB -0.377 37.697 38.000 0.124 0.000 1.079 101 I HN 0.492 nan 8.210 nan 0.000 0.425 102 G N -1.039 107.741 108.800 -0.033 0.000 3.847 102 G HA2 0.005 3.965 3.960 -0.000 0.000 0.189 102 G HA3 0.005 3.965 3.960 -0.000 0.000 0.189 102 G C 0.415 175.301 174.900 -0.023 0.000 0.907 102 G CA -0.618 44.460 45.100 -0.037 0.000 0.893 102 G HN -0.060 nan 8.290 nan 0.000 0.379 103 M N 2.909 122.504 119.600 -0.008 0.000 2.240 103 M HA 0.226 4.706 4.480 -0.000 0.000 0.346 103 M C 0.589 176.877 176.300 -0.020 0.000 1.236 103 M CA 0.657 55.956 55.300 -0.003 0.000 0.986 103 M CB 0.104 32.707 32.600 0.005 0.000 1.786 103 M HN 0.466 nan 8.290 nan 0.000 0.457 104 S N 2.818 118.520 115.700 0.004 0.000 2.508 104 S HA 0.428 4.898 4.470 -0.000 0.000 0.284 104 S C 0.960 175.583 174.600 0.038 0.000 1.192 104 S CA -1.101 57.107 58.200 0.012 0.000 1.070 104 S CB 1.396 64.608 63.200 0.020 0.000 1.004 104 S HN 0.764 nan 8.310 nan 0.000 0.493 105 R N 1.319 121.852 120.500 0.056 0.000 2.276 105 R HA -0.172 4.167 4.340 -0.000 0.000 0.243 105 R C 0.157 176.531 176.300 0.122 0.000 1.161 105 R CA 1.754 57.929 56.100 0.126 0.000 1.007 105 R CB -0.717 29.675 30.300 0.152 0.000 0.867 105 R HN 0.590 nan 8.270 nan 0.000 0.472 106 D N 1.483 121.931 120.400 0.080 0.000 2.110 106 D HA -0.067 4.572 4.640 -0.000 0.000 0.202 106 D C 0.142 176.481 176.300 0.065 0.000 0.975 106 D CA 0.461 54.502 54.000 0.067 0.000 0.839 106 D CB -0.361 40.468 40.800 0.048 0.000 0.996 106 D HN 0.287 nan 8.370 nan 0.000 0.464 107 E N 1.515 121.750 120.200 0.058 0.000 3.225 107 E HA -0.202 4.148 4.350 -0.000 0.000 0.289 107 E C 0.968 177.602 176.600 0.058 0.000 0.885 107 E CA 0.369 56.801 56.400 0.053 0.000 0.986 107 E CB 0.722 30.455 29.700 0.054 0.000 0.971 107 E HN 0.244 nan 8.360 nan 0.000 0.508 108 E N 4.198 124.421 120.200 0.038 0.000 2.068 108 E HA -0.217 4.133 4.350 -0.000 0.000 0.207 108 E C -0.899 175.721 176.600 0.033 0.000 1.032 108 E CA 2.421 58.837 56.400 0.027 0.000 0.839 108 E CB -0.730 28.974 29.700 0.007 0.000 0.758 108 E HN 0.394 nan 8.360 nan 0.000 0.457 109 P HA -0.183 nan 4.420 nan 0.000 0.216 109 P C 1.250 178.616 177.300 0.109 0.000 1.150 109 P CA 1.615 64.733 63.100 0.029 0.000 0.843 109 P CB -0.032 31.690 31.700 0.038 0.000 0.787 110 M N -1.366 118.330 119.600 0.161 0.000 2.200 110 M HA -0.083 4.396 4.480 -0.000 0.000 0.265 110 M C 2.071 178.529 176.300 0.264 0.000 1.066 110 M CA 1.497 56.970 55.300 0.288 0.000 1.127 110 M CB -1.528 31.210 32.600 0.230 0.000 1.379 110 M HN 0.011 nan 8.290 nan 0.000 0.420 111 Q N 0.912 120.801 119.800 0.149 0.000 2.020 111 Q HA -0.132 4.207 4.340 -0.000 0.000 0.202 111 Q C 2.049 178.094 176.000 0.075 0.000 0.982 111 Q CA 1.500 57.363 55.803 0.101 0.000 0.838 111 Q CB -0.317 28.460 28.738 0.065 0.000 0.899 111 Q HN 0.537 nan 8.270 nan 0.000 0.423 112 K N 0.148 120.581 120.400 0.055 0.000 2.057 112 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 112 K C 2.095 178.736 176.600 0.068 0.000 1.049 112 K CA 1.130 57.435 56.287 0.031 0.000 0.931 112 K CB -0.184 32.302 32.500 -0.023 0.000 0.714 112 K HN 0.128 nan 8.250 nan 0.000 0.440 113 A N 1.774 124.657 122.820 0.105 0.000 1.902 113 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 113 A C 2.132 179.762 177.584 0.077 0.000 1.181 113 A CA 1.166 53.318 52.037 0.191 0.000 0.623 113 A CB -0.613 18.618 19.000 0.385 0.000 0.818 113 A HN 0.233 nan 8.150 nan 0.000 0.443 114 L N -0.976 120.218 121.223 -0.049 0.000 2.027 114 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 114 L C 2.836 179.659 176.870 -0.078 0.000 1.074 114 L CA 1.344 56.059 54.840 -0.210 0.000 0.745 114 L CB -0.328 41.639 42.059 -0.155 0.000 0.898 114 L HN 0.384 nan 8.230 nan 0.000 0.433 115 R N -1.134 119.371 120.500 0.008 0.000 2.152 115 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 115 R C 2.117 178.466 176.300 0.083 0.000 1.117 115 R CA 1.534 57.654 56.100 0.032 0.000 0.981 115 R CB -0.376 29.951 30.300 0.045 0.000 0.870 115 R HN 0.316 nan 8.270 nan 0.000 0.451 116 F N 1.434 121.361 119.950 -0.038 0.000 2.098 116 F HA -0.070 4.457 4.527 -0.000 0.000 0.294 116 F C 1.901 177.686 175.800 -0.025 0.000 1.107 116 F CA 0.994 58.981 58.000 -0.022 0.000 1.234 116 F CB -0.478 38.518 39.000 -0.008 0.000 1.002 116 F HN -0.185 nan 8.300 nan 0.000 0.472 117 I N 0.621 121.005 120.570 -0.311 0.000 2.151 117 I HA -0.378 3.791 4.170 -0.000 0.000 0.243 117 I C 2.522 178.456 176.117 -0.306 0.000 1.080 117 I CA 1.762 62.807 61.300 -0.425 0.000 1.339 117 I CB -0.666 37.157 38.000 -0.294 0.000 1.039 117 I HN 0.288 nan 8.210 nan 0.000 0.409 118 Q N 0.279 119.967 119.800 -0.187 0.000 2.050 118 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 118 Q C 2.334 178.276 176.000 -0.097 0.000 0.980 118 Q CA 2.061 57.795 55.803 -0.115 0.000 0.840 118 Q CB -0.371 28.328 28.738 -0.065 0.000 0.898 118 Q HN 0.626 nan 8.270 nan 0.000 0.424 119 S N 0.405 116.057 115.700 -0.079 0.000 2.528 119 S HA -0.135 4.335 4.470 -0.000 0.000 0.244 119 S C 1.523 176.079 174.600 -0.074 0.000 0.982 119 S CA 0.843 59.021 58.200 -0.038 0.000 0.953 119 S CB 0.015 63.236 63.200 0.034 0.000 0.754 119 S HN 0.246 nan 8.310 nan 0.000 0.529 120 Q N -0.015 119.683 119.800 -0.170 0.000 2.281 120 Q HA 0.319 4.659 4.340 -0.000 0.000 0.215 120 Q C 1.401 177.337 176.000 -0.107 0.000 0.867 120 Q CA 0.697 56.397 55.803 -0.171 0.000 0.940 120 Q CB 0.743 29.270 28.738 -0.351 0.000 1.111 120 Q HN 0.770 nan 8.270 nan 0.000 0.513 121 G N -0.172 108.577 108.800 -0.086 0.000 2.184 121 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.206 121 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.206 121 G C 0.609 175.481 174.900 -0.046 0.000 0.995 121 G CA 0.088 45.163 45.100 -0.042 0.000 0.651 121 G HN 0.714 nan 8.290 nan 0.000 0.511 122 G N -0.421 108.319 108.800 -0.101 0.000 2.598 122 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.244 122 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.244 122 G C 1.023 175.843 174.900 -0.134 0.000 1.302 122 G CA 0.263 45.291 45.100 -0.120 0.000 0.903 122 G HN 1.290 nan 8.290 nan 0.000 0.575 123 I N 0.763 121.222 120.570 -0.185 0.000 2.530 123 I HA -0.089 4.081 4.170 -0.000 0.000 0.257 123 I C 2.217 178.273 176.117 -0.101 0.000 1.179 123 I CA 1.949 63.123 61.300 -0.209 0.000 1.440 123 I CB -0.118 37.649 38.000 -0.389 0.000 1.087 123 I HN 0.524 nan 8.210 nan 0.000 0.440 124 E N 0.207 120.415 120.200 0.013 0.000 2.516 124 E HA -0.043 4.307 4.350 -0.000 0.000 0.199 124 E C 1.594 178.212 176.600 0.030 0.000 1.069 124 E CA 0.401 56.858 56.400 0.095 0.000 0.876 124 E CB 0.160 29.948 29.700 0.148 0.000 0.843 124 E HN 0.412 nan 8.360 nan 0.000 0.530 125 S N 0.022 115.708 115.700 -0.023 0.000 2.559 125 S HA 0.050 4.520 4.470 -0.000 0.000 0.226 125 S C 0.673 175.250 174.600 -0.039 0.000 1.000 125 S CA -0.305 57.880 58.200 -0.024 0.000 0.948 125 S CB 0.551 63.729 63.200 -0.036 0.000 0.870 125 S HN 0.180 nan 8.310 nan 0.000 0.497 126 S N 2.519 118.175 115.700 -0.074 0.000 2.632 126 S HA 0.498 4.968 4.470 -0.000 0.000 0.271 126 S C 0.290 174.837 174.600 -0.089 0.000 1.260 126 S CA -1.078 57.075 58.200 -0.078 0.000 1.010 126 S CB 0.682 63.814 63.200 -0.112 0.000 0.965 126 S HN 0.543 nan 8.310 nan 0.000 0.534 127 R N 0.401 120.857 120.500 -0.074 0.000 2.905 127 R HA 0.201 4.541 4.340 -0.000 0.000 0.273 127 R C 0.798 176.984 176.300 -0.191 0.000 1.033 127 R CA -0.565 55.468 56.100 -0.111 0.000 1.182 127 R CB -0.332 29.908 30.300 -0.101 0.000 1.097 127 R HN 0.375 nan 8.270 nan 0.000 0.504 128 V N 0.300 120.031 119.914 -0.305 0.000 2.252 128 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 128 V C 2.191 178.115 176.094 -0.284 0.000 1.056 128 V CA 1.912 63.984 62.300 -0.380 0.000 1.022 128 V CB -0.914 30.491 31.823 -0.697 0.000 0.641 128 V HN 0.666 nan 8.190 nan 0.000 0.445 129 F N 0.999 120.802 119.950 -0.245 0.000 2.120 129 F HA -0.208 4.318 4.527 -0.000 0.000 0.300 129 F C 2.631 178.462 175.800 0.051 0.000 1.095 129 F CA 1.970 59.919 58.000 -0.085 0.000 1.249 129 F CB -1.691 37.279 39.000 -0.049 0.000 0.995 129 F HN 0.130 nan 8.300 nan 0.000 0.480 130 T N -0.481 114.151 114.554 0.130 0.000 2.777 130 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 130 T C 2.109 176.768 174.700 -0.069 0.000 1.040 130 T CA 1.271 63.401 62.100 0.049 0.000 1.141 130 T CB -0.211 68.624 68.868 -0.055 0.000 0.868 130 T HN 0.181 nan 8.240 nan 0.000 0.444 131 R N 0.346 120.698 120.500 -0.246 0.000 2.148 131 R HA 0.149 4.489 4.340 -0.000 0.000 0.223 131 R C 2.501 178.575 176.300 -0.375 0.000 1.088 131 R CA 0.875 56.634 56.100 -0.568 0.000 0.985 131 R CB -0.267 29.517 30.300 -0.860 0.000 0.880 131 R HN 0.396 nan 8.270 nan 0.000 0.451 132 M N -0.600 118.882 119.600 -0.196 0.000 2.123 132 M HA -0.149 4.330 4.480 -0.000 0.000 0.263 132 M C 1.349 177.523 176.300 -0.210 0.000 1.069 132 M CA 1.704 56.858 55.300 -0.243 0.000 1.133 132 M CB -0.103 32.439 32.600 -0.098 0.000 1.356 132 M HN 0.154 nan 8.290 nan 0.000 0.415 133 W N 0.912 122.176 121.300 -0.061 0.000 2.338 133 W HA -0.181 4.478 4.660 -0.000 0.000 0.304 133 W C 2.103 178.591 176.519 -0.052 0.000 1.212 133 W CA 1.201 58.546 57.345 -0.001 0.000 1.264 133 W CB -0.428 29.043 29.460 0.018 0.000 1.142 133 W HN 0.197 nan 8.180 nan 0.000 0.512 134 L N -0.319 120.983 121.223 0.131 0.000 2.131 134 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 134 L C 2.588 179.469 176.870 0.019 0.000 1.092 134 L CA 1.236 56.114 54.840 0.065 0.000 0.759 134 L CB -1.009 41.043 42.059 -0.011 0.000 0.903 134 L HN 0.003 nan 8.230 nan 0.000 0.435 135 A N -0.114 122.611 122.820 -0.159 0.000 1.902 135 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 135 A C 2.218 179.595 177.584 -0.346 0.000 1.181 135 A CA 1.371 53.155 52.037 -0.422 0.000 0.623 135 A CB -0.651 17.703 19.000 -1.077 0.000 0.818 135 A HN 0.360 nan 8.150 nan 0.000 0.443 136 L N -0.108 121.015 121.223 -0.167 0.000 2.131 136 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 136 L C 2.093 179.156 176.870 0.322 0.000 1.092 136 L CA 1.386 56.342 54.840 0.192 0.000 0.759 136 L CB -0.217 41.973 42.059 0.219 0.000 0.903 136 L HN 0.446 nan 8.230 nan 0.000 0.435 137 V N -3.844 116.225 119.914 0.258 0.000 3.596 137 V HA 0.477 4.597 4.120 -0.000 0.000 0.289 137 V C 1.258 177.481 176.094 0.215 0.000 1.336 137 V CA 0.273 62.753 62.300 0.300 0.000 1.137 137 V CB -0.388 31.577 31.823 0.236 0.000 0.966 137 V HN 0.462 nan 8.190 nan 0.000 0.428 138 G N 0.919 109.814 108.800 0.159 0.000 2.136 138 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 138 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 138 G C 0.278 175.261 174.900 0.138 0.000 0.989 138 G CA 0.398 45.578 45.100 0.134 0.000 0.682 138 G HN 0.537 nan 8.290 nan 0.000 0.522 139 E N -1.053 119.240 120.200 0.155 0.000 2.451 139 E HA 0.363 4.713 4.350 -0.000 0.000 0.194 139 E C -0.294 176.503 176.600 0.328 0.000 1.027 139 E CA -0.208 56.318 56.400 0.210 0.000 0.914 139 E CB 0.278 30.082 29.700 0.172 0.000 1.054 139 E HN 0.709 nan 8.360 nan 0.000 0.461 140 Y N 0.493 120.840 120.300 0.078 0.000 2.409 140 Y HA 0.178 4.728 4.550 -0.000 0.000 0.321 140 Y C -2.639 173.252 175.900 -0.014 0.000 1.209 140 Y CA -1.944 56.209 58.100 0.090 0.000 1.086 140 Y CB 1.730 40.204 38.460 0.024 0.000 1.320 140 Y HN -0.140 nan 8.280 nan 0.000 0.440 141 P HA -0.041 nan 4.420 nan 0.000 0.267 141 P C 0.196 177.486 177.300 -0.017 0.000 1.205 141 P CA 0.441 63.436 63.100 -0.175 0.000 0.765 141 P CB 0.748 32.281 31.700 -0.279 0.000 0.828 142 W N 2.210 123.547 121.300 0.060 0.000 2.402 142 W HA -0.133 4.527 4.660 -0.000 0.000 0.286 142 W C 2.023 178.604 176.519 0.103 0.000 1.221 142 W CA 0.825 58.246 57.345 0.125 0.000 1.257 142 W CB -0.351 29.169 29.460 0.100 0.000 1.120 142 W HN 0.415 nan 8.180 nan 0.000 0.551 143 E N 0.188 120.520 120.200 0.220 0.000 2.267 143 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 143 E C 1.457 177.894 176.600 -0.273 0.000 0.998 143 E CA 1.201 57.567 56.400 -0.057 0.000 0.830 143 E CB -0.292 29.369 29.700 -0.066 0.000 0.751 143 E HN 0.232 nan 8.360 nan 0.000 0.491 144 K N 0.254 120.620 120.400 -0.056 0.000 2.387 144 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 144 K C -0.325 176.399 176.600 0.208 0.000 1.022 144 K CA 0.036 56.328 56.287 0.008 0.000 1.128 144 K CB 0.981 33.450 32.500 -0.052 0.000 0.853 144 K HN -0.032 nan 8.250 nan 0.000 0.523 145 V N 3.300 123.388 119.914 0.291 0.000 2.394 145 V HA 0.191 4.311 4.120 -0.000 0.000 0.282 145 V C -2.367 173.991 176.094 0.439 0.000 1.031 145 V CA -2.463 60.045 62.300 0.346 0.000 0.881 145 V CB 1.169 33.212 31.823 0.367 0.000 0.982 145 V HN -0.004 nan 8.190 nan 0.000 0.451 146 P HA 0.020 nan 4.420 nan 0.000 0.263 146 P C -0.464 177.035 177.300 0.330 0.000 1.175 146 P CA 0.140 63.450 63.100 0.351 0.000 0.761 146 P CB 0.293 32.160 31.700 0.279 0.000 0.794 147 M N 4.691 124.378 119.600 0.145 0.000 2.264 147 M HA 0.387 4.866 4.480 -0.000 0.000 0.352 147 M C -1.401 174.844 176.300 -0.092 0.000 1.173 147 M CA -0.172 55.080 55.300 -0.081 0.000 1.075 147 M CB 0.972 33.299 32.600 -0.454 0.000 1.621 147 M HN -0.019 nan 8.290 nan 0.000 0.457 148 V N 8.013 127.823 119.914 -0.173 0.000 2.447 148 V HA 0.603 4.723 4.120 -0.000 0.000 0.292 148 V C -2.341 173.608 176.094 -0.243 0.000 1.021 148 V CA -1.067 61.076 62.300 -0.263 0.000 0.850 148 V CB 1.611 33.137 31.823 -0.494 0.000 1.005 148 V HN 0.812 nan 8.190 nan 0.000 0.426 149 P HA 0.416 nan 4.420 nan 0.000 0.287 149 P C -2.565 174.611 177.300 -0.207 0.000 1.270 149 P CA -2.181 60.813 63.100 -0.176 0.000 0.844 149 P CB 2.190 33.826 31.700 -0.106 0.000 1.068 150 P HA -0.189 nan 4.420 nan 0.000 0.216 150 P C 1.137 178.248 177.300 -0.315 0.000 1.153 150 P CA 1.677 64.631 63.100 -0.244 0.000 0.858 150 P CB -0.079 31.509 31.700 -0.188 0.000 0.789 151 E N -0.760 119.306 120.200 -0.224 0.000 2.331 151 E HA -0.157 4.192 4.350 -0.000 0.000 0.199 151 E C 1.813 178.283 176.600 -0.217 0.000 1.008 151 E CA 0.396 56.661 56.400 -0.225 0.000 0.843 151 E CB -1.101 28.638 29.700 0.064 0.000 0.761 151 E HN 0.307 nan 8.360 nan 0.000 0.507 152 I N 0.047 120.491 120.570 -0.210 0.000 2.502 152 I HA -0.281 3.889 4.170 -0.000 0.000 0.258 152 I C 1.175 177.161 176.117 -0.218 0.000 1.172 152 I CA 0.942 62.136 61.300 -0.176 0.000 1.430 152 I CB 0.084 37.947 38.000 -0.229 0.000 1.086 152 I HN 0.153 nan 8.210 nan 0.000 0.440 153 M N -0.059 119.322 119.600 -0.366 0.000 2.539 153 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 153 M C 1.560 177.704 176.300 -0.260 0.000 1.069 153 M CA 1.401 56.464 55.300 -0.395 0.000 1.081 153 M CB -1.119 31.170 32.600 -0.519 0.000 1.412 153 M HN 0.246 nan 8.290 nan 0.000 0.482 154 F N -0.187 119.737 119.950 -0.043 0.000 2.619 154 F HA 0.193 4.720 4.527 -0.000 0.000 0.293 154 F C 0.999 176.790 175.800 -0.014 0.000 1.119 154 F CA -0.630 57.354 58.000 -0.026 0.000 1.445 154 F CB -0.853 38.132 39.000 -0.026 0.000 1.119 154 F HN -0.087 nan 8.300 nan 0.000 0.573 155 L N 0.749 122.059 121.223 0.145 0.000 2.559 155 L HA 0.152 4.492 4.340 -0.000 0.000 0.274 155 L C 1.223 178.152 176.870 0.099 0.000 1.205 155 L CA -0.119 54.781 54.840 0.100 0.000 0.907 155 L CB -0.569 41.534 42.059 0.072 0.000 1.153 155 L HN 0.130 nan 8.230 nan 0.000 0.490 156 G N 2.422 111.271 108.800 0.080 0.000 2.651 156 G HA2 0.123 4.083 3.960 -0.000 0.000 0.260 156 G HA3 0.123 4.083 3.960 -0.000 0.000 0.260 156 G C 0.704 175.642 174.900 0.063 0.000 1.216 156 G CA -0.567 44.572 45.100 0.065 0.000 0.913 156 G HN 0.769 nan 8.290 nan 0.000 0.535 157 K N -0.164 120.251 120.400 0.026 0.000 2.127 157 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 157 K C 1.313 177.929 176.600 0.028 0.000 1.047 157 K CA 1.335 57.618 56.287 -0.006 0.000 0.927 157 K CB -0.035 32.418 32.500 -0.077 0.000 0.716 157 K HN 0.476 nan 8.250 nan 0.000 0.450 158 R N 1.039 121.554 120.500 0.025 0.000 3.057 158 R HA 0.316 4.656 4.340 -0.000 0.000 0.291 158 R C -0.699 175.621 176.300 0.033 0.000 1.394 158 R CA 0.036 56.153 56.100 0.028 0.000 1.630 158 R CB -0.035 30.273 30.300 0.014 0.000 1.268 158 R HN 0.027 nan 8.270 nan 0.000 0.621 159 M N 2.148 121.777 119.600 0.049 0.000 2.446 159 M HA 0.403 4.883 4.480 -0.000 0.000 0.294 159 M C -2.589 173.743 176.300 0.053 0.000 1.158 159 M CA -2.105 53.222 55.300 0.046 0.000 0.899 159 M CB 3.570 36.200 32.600 0.050 0.000 1.687 159 M HN 0.011 nan 8.290 nan 0.000 0.455 160 P HA -0.003 nan 4.420 nan 0.000 0.261 160 P C 0.206 177.544 177.300 0.064 0.000 1.183 160 P CA 0.454 63.581 63.100 0.044 0.000 0.761 160 P CB 0.484 32.205 31.700 0.034 0.000 0.785 161 L N -1.062 120.202 121.223 0.069 0.000 4.560 161 L HA -0.281 4.059 4.340 -0.000 0.000 0.415 161 L C 0.804 177.791 176.870 0.195 0.000 1.123 161 L CA 0.658 55.575 54.840 0.129 0.000 0.991 161 L CB -2.038 40.096 42.059 0.126 0.000 2.127 161 L HN 0.577 nan 8.230 nan 0.000 0.765 162 N N 0.968 119.759 118.700 0.152 0.000 2.453 162 N HA 0.238 4.978 4.740 -0.000 0.000 0.253 162 N C 1.449 177.057 175.510 0.164 0.000 1.252 162 N CA 0.150 53.281 53.050 0.135 0.000 0.917 162 N CB 0.419 38.998 38.487 0.152 0.000 1.117 162 N HN 0.363 nan 8.380 nan 0.000 0.442 163 I N -2.959 117.592 120.570 -0.033 0.000 2.953 163 I HA -0.201 3.969 4.170 -0.000 0.000 0.271 163 I C 0.099 176.075 176.117 -0.236 0.000 1.286 163 I CA 1.104 62.220 61.300 -0.306 0.000 1.449 163 I CB -0.574 37.014 38.000 -0.688 0.000 1.086 163 I HN 0.496 nan 8.210 nan 0.000 0.483 164 Y N 1.345 121.692 120.300 0.079 0.000 2.493 164 Y HA 0.225 4.775 4.550 -0.000 0.000 0.275 164 Y C 1.953 177.932 175.900 0.132 0.000 1.183 164 Y CA 0.041 58.209 58.100 0.113 0.000 1.258 164 Y CB -0.011 38.508 38.460 0.098 0.000 1.108 164 Y HN 0.269 nan 8.280 nan 0.000 0.521 165 E N -0.622 119.740 120.200 0.270 0.000 2.452 165 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 165 E C -0.430 176.182 176.600 0.021 0.000 1.022 165 E CA 0.050 56.520 56.400 0.117 0.000 0.890 165 E CB 0.308 30.022 29.700 0.024 0.000 0.918 165 E HN 0.184 nan 8.360 nan 0.000 0.496 166 F N 0.863 120.749 119.950 -0.107 0.000 2.378 166 F HA 0.383 4.910 4.527 -0.000 0.000 0.325 166 F C 1.357 177.005 175.800 -0.254 0.000 1.097 166 F CA -0.753 57.136 58.000 -0.184 0.000 1.079 166 F CB 0.514 39.381 39.000 -0.223 0.000 1.240 166 F HN -0.222 nan 8.300 nan 0.000 0.519 167 G N 0.111 108.762 108.800 -0.248 0.000 2.569 167 G HA2 0.316 4.276 3.960 -0.000 0.000 0.249 167 G HA3 0.316 4.276 3.960 -0.000 0.000 0.249 167 G C 0.794 175.298 174.900 -0.660 0.000 1.216 167 G CA 0.014 44.739 45.100 -0.626 0.000 0.845 167 G HN 0.797 nan 8.290 nan 0.000 0.568 168 S N 0.391 115.820 115.700 -0.452 0.000 2.378 168 S HA -0.314 4.156 4.470 -0.000 0.000 0.229 168 S C 1.964 176.379 174.600 -0.308 0.000 1.052 168 S CA 2.438 60.459 58.200 -0.298 0.000 1.084 168 S CB -0.990 61.990 63.200 -0.367 0.000 0.950 168 S HN 1.004 nan 8.310 nan 0.000 0.440 169 W N 2.594 123.847 121.300 -0.079 0.000 2.363 169 W HA 0.279 4.939 4.660 -0.000 0.000 0.296 169 W C 2.461 179.043 176.519 0.105 0.000 1.212 169 W CA 0.629 57.984 57.345 0.016 0.000 1.260 169 W CB -1.028 28.533 29.460 0.168 0.000 1.131 169 W HN 0.378 nan 8.180 nan 0.000 0.530 170 A N 1.408 124.110 122.820 -0.197 0.000 1.873 170 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 170 A C 2.272 179.789 177.584 -0.112 0.000 1.186 170 A CA 1.914 53.979 52.037 0.046 0.000 0.616 170 A CB -1.031 17.998 19.000 0.048 0.000 0.823 170 A HN 0.391 nan 8.150 nan 0.000 0.442 171 R N -0.294 120.056 120.500 -0.249 0.000 2.122 171 R HA -0.225 4.115 4.340 -0.000 0.000 0.236 171 R C 2.328 178.398 176.300 -0.383 0.000 1.129 171 R CA 1.999 57.846 56.100 -0.421 0.000 0.925 171 R CB -0.561 29.549 30.300 -0.316 0.000 0.850 171 R HN 0.435 nan 8.270 nan 0.000 0.431 172 A N -0.309 122.449 122.820 -0.103 0.000 1.940 172 A HA -0.171 4.148 4.320 -0.000 0.000 0.219 172 A C 2.204 179.792 177.584 0.008 0.000 1.176 172 A CA 2.208 54.297 52.037 0.086 0.000 0.631 172 A CB -0.864 18.297 19.000 0.269 0.000 0.814 172 A HN 0.562 nan 8.150 nan 0.000 0.446 173 T N -0.436 114.145 114.554 0.045 0.000 2.777 173 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 173 T C 1.882 176.537 174.700 -0.075 0.000 1.040 173 T CA 1.441 63.619 62.100 0.130 0.000 1.141 173 T CB -0.407 68.650 68.868 0.316 0.000 0.868 173 T HN 0.189 nan 8.240 nan 0.000 0.444 174 V N 1.508 121.268 119.914 -0.257 0.000 2.295 174 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 174 V C 2.685 178.502 176.094 -0.461 0.000 1.049 174 V CA 1.387 63.396 62.300 -0.484 0.000 1.024 174 V CB -0.843 30.531 31.823 -0.749 0.000 0.648 174 V HN 0.323 nan 8.190 nan 0.000 0.447 175 V N 0.408 120.040 119.914 -0.470 0.000 2.295 175 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 175 V C 2.742 178.682 176.094 -0.257 0.000 1.049 175 V CA 1.943 63.984 62.300 -0.432 0.000 1.024 175 V CB -1.295 30.186 31.823 -0.570 0.000 0.648 175 V HN 0.542 nan 8.190 nan 0.000 0.447 176 A N 0.023 122.736 122.820 -0.179 0.000 1.883 176 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 176 A C 2.247 179.748 177.584 -0.138 0.000 1.186 176 A CA 2.010 53.972 52.037 -0.126 0.000 0.624 176 A CB -0.613 18.359 19.000 -0.047 0.000 0.822 176 A HN 0.496 nan 8.150 nan 0.000 0.444 177 L N 0.399 121.506 121.223 -0.193 0.000 2.056 177 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 177 L C 3.058 179.785 176.870 -0.239 0.000 1.078 177 L CA 1.538 56.236 54.840 -0.238 0.000 0.749 177 L CB -0.625 41.241 42.059 -0.322 0.000 0.901 177 L HN 0.647 nan 8.230 nan 0.000 0.433 178 S N 0.446 115.974 115.700 -0.288 0.000 2.392 178 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 178 S C 1.881 176.346 174.600 -0.225 0.000 1.041 178 S CA 1.446 59.480 58.200 -0.276 0.000 1.026 178 S CB -0.797 62.220 63.200 -0.306 0.000 0.845 178 S HN 0.411 nan 8.310 nan 0.000 0.465 179 I N 1.183 121.638 120.570 -0.191 0.000 2.252 179 I HA -0.104 4.066 4.170 -0.000 0.000 0.245 179 I C 2.479 178.504 176.117 -0.154 0.000 1.102 179 I CA 1.076 62.284 61.300 -0.153 0.000 1.385 179 I CB -0.553 37.380 38.000 -0.112 0.000 1.064 179 I HN 0.241 nan 8.210 nan 0.000 0.414 180 V N 0.825 120.656 119.914 -0.139 0.000 2.307 180 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 180 V C 2.442 178.379 176.094 -0.262 0.000 1.045 180 V CA 1.763 63.990 62.300 -0.122 0.000 1.024 180 V CB -0.534 31.270 31.823 -0.033 0.000 0.651 180 V HN 0.390 nan 8.190 nan 0.000 0.449 181 M N -0.260 119.174 119.600 -0.277 0.000 2.374 181 M HA -0.112 4.367 4.480 -0.000 0.000 0.264 181 M C 2.440 178.489 176.300 -0.419 0.000 1.067 181 M CA 1.507 56.559 55.300 -0.413 0.000 1.103 181 M CB -0.584 31.882 32.600 -0.224 0.000 1.402 181 M HN 0.417 nan 8.290 nan 0.000 0.444 182 S N 0.646 116.158 115.700 -0.314 0.000 2.368 182 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 182 S C 1.973 176.383 174.600 -0.317 0.000 1.030 182 S CA 1.142 59.171 58.200 -0.285 0.000 0.999 182 S CB 0.043 63.114 63.200 -0.216 0.000 0.844 182 S HN 0.381 nan 8.310 nan 0.000 0.459 183 R N 0.615 120.926 120.500 -0.314 0.000 2.265 183 R HA 0.270 4.610 4.340 -0.000 0.000 0.194 183 R C 0.101 176.148 176.300 -0.421 0.000 0.931 183 R CA 0.065 55.988 56.100 -0.294 0.000 1.032 183 R CB -0.876 29.308 30.300 -0.194 0.000 0.980 183 R HN 0.573 nan 8.270 nan 0.000 0.497 184 Q N 1.694 121.073 119.800 -0.701 0.000 2.423 184 Q HA -0.144 4.196 4.340 -0.000 0.000 0.368 184 Q C -2.106 173.536 176.000 -0.597 0.000 1.371 184 Q CA 0.150 55.186 55.803 -1.278 0.000 1.106 184 Q CB -1.147 26.813 28.738 -1.298 0.000 1.263 184 Q HN 0.282 nan 8.270 nan 0.000 0.325 185 P HA 0.398 nan 4.420 nan 0.000 0.279 185 P C -0.500 176.808 177.300 0.012 0.000 1.252 185 P CA -0.429 62.580 63.100 -0.152 0.000 0.811 185 P CB 1.565 33.189 31.700 -0.127 0.000 1.035 186 V N 2.542 122.273 119.914 -0.305 0.000 2.569 186 V HA 0.312 4.431 4.120 -0.000 0.000 0.301 186 V C -0.787 175.055 176.094 -0.419 0.000 1.044 186 V CA -0.283 61.934 62.300 -0.138 0.000 0.874 186 V CB 1.301 33.157 31.823 0.056 0.000 1.002 186 V HN 0.341 nan 8.190 nan 0.000 0.424 187 F N 5.646 125.701 119.950 0.175 0.000 2.359 187 F HA 0.482 5.009 4.527 -0.000 0.000 0.370 187 F C -2.231 173.739 175.800 0.283 0.000 1.077 187 F CA -2.606 55.486 58.000 0.154 0.000 1.136 187 F CB 1.158 40.203 39.000 0.075 0.000 1.387 187 F HN 0.294 nan 8.300 nan 0.000 0.468 188 P HA -0.000 nan 4.420 nan 0.000 0.265 188 P C -0.289 177.237 177.300 0.375 0.000 1.187 188 P CA 0.303 63.573 63.100 0.283 0.000 0.766 188 P CB 0.699 32.508 31.700 0.181 0.000 0.820 189 L N 5.065 126.426 121.223 0.230 0.000 2.379 189 L HA 0.449 4.789 4.340 -0.000 0.000 0.269 189 L C -1.668 175.282 176.870 0.134 0.000 1.084 189 L CA -2.222 52.694 54.840 0.126 0.000 0.802 189 L CB 0.708 42.808 42.059 0.067 0.000 1.175 189 L HN 0.272 nan 8.230 nan 0.000 0.448 190 P HA 0.072 nan 4.420 nan 0.000 0.272 190 P C -0.170 177.159 177.300 0.047 0.000 1.230 190 P CA -0.289 62.854 63.100 0.071 0.000 0.788 190 P CB 0.928 32.644 31.700 0.027 0.000 0.949 191 E N 0.880 121.106 120.200 0.043 0.000 2.097 191 E HA -0.230 4.119 4.350 -0.000 0.000 0.196 191 E C 2.150 178.765 176.600 0.025 0.000 1.000 191 E CA 1.376 57.800 56.400 0.039 0.000 0.804 191 E CB -0.407 29.314 29.700 0.035 0.000 0.740 191 E HN 0.426 nan 8.360 nan 0.000 0.454 192 R N -0.005 120.496 120.500 0.002 0.000 2.153 192 R HA -0.194 4.146 4.340 -0.000 0.000 0.252 192 R C 1.483 177.771 176.300 -0.020 0.000 1.158 192 R CA 1.640 57.729 56.100 -0.018 0.000 0.975 192 R CB -0.156 30.113 30.300 -0.052 0.000 0.871 192 R HN 0.248 nan 8.270 nan 0.000 0.450 193 A N 0.478 123.290 122.820 -0.013 0.000 2.430 193 A HA 0.186 4.506 4.320 -0.000 0.000 0.243 193 A C -0.175 177.439 177.584 0.051 0.000 1.254 193 A CA -0.459 51.584 52.037 0.009 0.000 0.914 193 A CB 0.198 19.214 19.000 0.026 0.000 0.998 193 A HN 0.051 nan 8.150 nan 0.000 0.515 194 R N 0.274 120.813 120.500 0.064 0.000 2.585 194 R HA 0.132 4.471 4.340 -0.000 0.000 0.275 194 R C 0.146 176.511 176.300 0.108 0.000 1.018 194 R CA 0.416 56.571 56.100 0.092 0.000 1.072 194 R CB 0.081 30.436 30.300 0.091 0.000 0.953 194 R HN 0.355 nan 8.270 nan 0.000 0.419 195 V N 0.639 120.634 119.914 0.135 0.000 2.611 195 V HA 0.180 4.300 4.120 -0.000 0.000 0.286 195 V C -1.482 174.717 176.094 0.175 0.000 1.118 195 V CA -1.293 61.108 62.300 0.169 0.000 1.334 195 V CB 0.901 32.843 31.823 0.198 0.000 1.555 195 V HN 0.525 nan 8.190 nan 0.000 0.594 196 P HA -0.243 nan 4.420 nan 0.000 0.216 196 P C 1.411 178.858 177.300 0.245 0.000 1.150 196 P CA 1.982 65.242 63.100 0.266 0.000 0.843 196 P CB 0.274 32.083 31.700 0.181 0.000 0.787 197 E N 0.548 120.844 120.200 0.160 0.000 2.501 197 E HA -0.141 4.209 4.350 -0.000 0.000 0.203 197 E C 1.736 178.357 176.600 0.034 0.000 1.072 197 E CA 0.626 57.091 56.400 0.108 0.000 0.885 197 E CB -1.021 28.743 29.700 0.106 0.000 0.813 197 E HN 0.365 nan 8.360 nan 0.000 0.556 198 L N -0.442 120.771 121.223 -0.016 0.000 2.554 198 L HA 0.029 4.369 4.340 -0.000 0.000 0.226 198 L C 1.225 177.962 176.870 -0.221 0.000 1.137 198 L CA 0.372 55.107 54.840 -0.175 0.000 0.863 198 L CB -0.155 41.754 42.059 -0.250 0.000 0.985 198 L HN 0.035 nan 8.230 nan 0.000 0.451 199 Y N -0.790 119.528 120.300 0.030 0.000 2.524 199 Y HA 0.096 4.646 4.550 -0.000 0.000 0.270 199 Y C 1.087 176.996 175.900 0.014 0.000 1.094 199 Y CA -0.535 57.583 58.100 0.030 0.000 1.276 199 Y CB 0.247 38.731 38.460 0.041 0.000 1.130 199 Y HN 0.037 nan 8.280 nan 0.000 0.536 200 E N 1.594 121.887 120.200 0.155 0.000 1.855 200 E HA 0.094 4.444 4.350 -0.000 0.000 0.259 200 E C -0.591 176.037 176.600 0.047 0.000 1.229 200 E CA 0.396 56.850 56.400 0.089 0.000 1.042 200 E CB -0.206 29.537 29.700 0.071 0.000 1.079 200 E HN 0.072 nan 8.360 nan 0.000 0.434 201 T N 0.871 115.455 114.554 0.049 0.000 2.889 201 T HA 0.070 4.420 4.350 -0.000 0.000 0.315 201 T C -0.019 174.700 174.700 0.030 0.000 1.291 201 T CA -0.903 61.212 62.100 0.025 0.000 1.028 201 T CB 1.248 70.118 68.868 0.003 0.000 1.235 201 T HN 0.378 nan 8.240 nan 0.000 0.491 202 D N 0.344 120.757 120.400 0.021 0.000 2.380 202 D HA 0.056 4.696 4.640 -0.000 0.000 0.212 202 D C 0.949 177.260 176.300 0.019 0.000 1.021 202 D CA 0.199 54.212 54.000 0.022 0.000 0.884 202 D CB -0.219 40.592 40.800 0.019 0.000 1.001 202 D HN 0.282 nan 8.370 nan 0.000 0.506 203 V N 3.906 123.828 119.914 0.013 0.000 2.843 203 V HA 0.014 4.134 4.120 -0.000 0.000 0.305 203 V C -1.818 174.285 176.094 0.015 0.000 1.120 203 V CA -0.443 61.864 62.300 0.011 0.000 1.254 203 V CB 0.221 32.043 31.823 -0.001 0.000 0.901 203 V HN 0.194 nan 8.190 nan 0.000 0.503 204 P HA 0.188 nan 4.420 nan 0.000 0.276 204 P C -2.536 174.777 177.300 0.023 0.000 1.243 204 P CA -1.518 61.596 63.100 0.023 0.000 0.768 204 P CB 0.388 32.103 31.700 0.024 0.000 0.856 205 P HA 0.018 nan 4.420 nan 0.000 0.264 205 P C 0.000 177.319 177.300 0.030 0.000 1.229 205 P CA 0.251 63.370 63.100 0.031 0.000 0.780 205 P CB 0.270 32.001 31.700 0.052 0.000 0.808 206 R N 3.773 124.286 120.500 0.022 0.000 2.391 206 R HA 0.398 4.738 4.340 -0.000 0.000 0.310 206 R C 0.055 176.373 176.300 0.029 0.000 1.174 206 R CA -0.789 55.328 56.100 0.028 0.000 1.118 206 R CB 0.749 31.065 30.300 0.028 0.000 1.134 206 R HN 0.358 nan 8.270 nan 0.000 0.524 207 R N 2.604 123.125 120.500 0.035 0.000 2.441 207 R HA 0.168 4.508 4.340 -0.000 0.000 0.284 207 R C -0.398 175.923 176.300 0.034 0.000 1.070 207 R CA -0.558 55.562 56.100 0.033 0.000 1.047 207 R CB 1.017 31.341 30.300 0.041 0.000 1.016 207 R HN 0.552 nan 8.270 nan 0.000 0.477 208 R N 1.827 122.343 120.500 0.027 0.000 2.410 208 R HA 0.270 4.610 4.340 -0.000 0.000 0.288 208 R C -0.354 175.958 176.300 0.019 0.000 1.051 208 R CA -0.097 56.021 56.100 0.030 0.000 1.021 208 R CB 1.212 31.533 30.300 0.034 0.000 1.032 208 R HN 0.818 nan 8.270 nan 0.000 0.481 209 G N 1.262 110.076 108.800 0.022 0.000 2.705 209 G HA2 0.519 4.478 3.960 -0.000 0.000 0.299 209 G HA3 0.519 4.478 3.960 -0.000 0.000 0.299 209 G C -0.960 173.934 174.900 -0.009 0.000 1.315 209 G CA -0.625 44.486 45.100 0.018 0.000 1.045 209 G HN 0.807 nan 8.290 nan 0.000 0.517 210 A N 0.097 122.908 122.820 -0.016 0.000 2.565 210 A HA 0.273 4.593 4.320 -0.000 0.000 0.237 210 A C 1.775 179.308 177.584 -0.084 0.000 1.053 210 A CA 0.083 52.081 52.037 -0.066 0.000 0.755 210 A CB 0.227 19.179 19.000 -0.079 0.000 0.980 210 A HN 0.594 nan 8.150 nan 0.000 0.506 211 K N 2.471 122.795 120.400 -0.127 0.000 2.081 211 K HA -0.251 4.069 4.320 -0.000 0.000 0.222 211 K C 1.539 178.066 176.600 -0.122 0.000 1.055 211 K CA 2.410 58.617 56.287 -0.134 0.000 0.954 211 K CB -0.765 31.627 32.500 -0.181 0.000 0.732 211 K HN 0.902 nan 8.250 nan 0.000 0.458 212 G N -0.494 108.187 108.800 -0.197 0.000 3.575 212 G HA2 0.442 4.402 3.960 -0.000 0.000 0.273 212 G HA3 0.442 4.402 3.960 -0.000 0.000 0.273 212 G C 0.038 174.979 174.900 0.069 0.000 1.053 212 G CA 0.414 45.440 45.100 -0.124 0.000 0.803 212 G HN 0.587 nan 8.290 nan 0.000 0.528 213 G N -1.721 107.137 108.800 0.096 0.000 2.428 213 G HA2 0.478 4.438 3.960 -0.000 0.000 0.681 213 G HA3 0.478 4.438 3.960 -0.000 0.000 0.681 213 G C -0.241 174.801 174.900 0.236 0.000 1.340 213 G CA -0.256 44.961 45.100 0.194 0.000 0.915 213 G HN 0.992 nan 8.290 nan 0.000 0.645 214 G N -0.012 108.901 108.800 0.190 0.000 2.955 214 G HA2 0.710 4.670 3.960 -0.000 0.000 0.336 214 G HA3 0.710 4.670 3.960 -0.000 0.000 0.336 214 G C 0.572 175.641 174.900 0.280 0.000 1.264 214 G CA 0.672 45.903 45.100 0.219 0.000 1.096 214 G HN 1.557 nan 8.290 nan 0.000 0.486 215 G N 2.665 111.718 108.800 0.421 0.000 2.299 215 G HA2 0.189 4.149 3.960 -0.000 0.000 0.256 215 G HA3 0.189 4.149 3.960 -0.000 0.000 0.256 215 G C 1.164 176.054 174.900 -0.017 0.000 1.259 215 G CA -0.365 44.823 45.100 0.147 0.000 0.943 215 G HN 0.794 nan 8.290 nan 0.000 0.479 216 W N 3.346 124.670 121.300 0.039 0.000 2.361 216 W HA -0.204 4.456 4.660 -0.000 0.000 0.270 216 W C 1.190 177.679 176.519 -0.050 0.000 1.210 216 W CA 0.657 58.013 57.345 0.018 0.000 1.174 216 W CB -0.780 28.678 29.460 -0.003 0.000 1.131 216 W HN 0.566 nan 8.180 nan 0.000 0.575 217 I N -0.019 119.841 120.570 -1.183 0.000 2.202 217 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 217 I C 2.424 178.206 176.117 -0.558 0.000 1.091 217 I CA 1.574 62.189 61.300 -1.141 0.000 1.368 217 I CB -1.186 35.965 38.000 -1.414 0.000 1.058 217 I HN -0.260 nan 8.210 nan 0.000 0.410 218 F N 1.051 120.872 119.950 -0.214 0.000 2.134 218 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 218 F C 2.404 178.203 175.800 -0.001 0.000 1.097 218 F CA 1.405 59.360 58.000 -0.075 0.000 1.264 218 F CB -0.975 38.004 39.000 -0.034 0.000 1.001 218 F HN 0.116 nan 8.300 nan 0.000 0.479 219 D N 0.441 120.971 120.400 0.217 0.000 2.116 219 D HA -0.203 4.437 4.640 -0.000 0.000 0.193 219 D C 2.332 178.729 176.300 0.161 0.000 0.998 219 D CA 1.593 55.711 54.000 0.196 0.000 0.836 219 D CB -0.137 40.790 40.800 0.212 0.000 0.951 219 D HN 0.261 nan 8.370 nan 0.000 0.449 220 A N 0.846 123.746 122.820 0.133 0.000 1.898 220 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 220 A C 2.203 179.842 177.584 0.091 0.000 1.181 220 A CA 1.146 53.261 52.037 0.129 0.000 0.620 220 A CB -0.787 18.309 19.000 0.160 0.000 0.819 220 A HN 0.331 nan 8.150 nan 0.000 0.442 221 L N 0.601 121.852 121.223 0.046 0.000 2.013 221 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 221 L C 1.898 178.818 176.870 0.085 0.000 1.073 221 L CA 2.985 57.850 54.840 0.043 0.000 0.753 221 L CB -0.954 41.124 42.059 0.031 0.000 0.890 221 L HN 0.497 nan 8.230 nan 0.000 0.432 222 D N -0.851 119.627 120.400 0.130 0.000 2.104 222 D HA -0.215 4.425 4.640 -0.000 0.000 0.194 222 D C 2.243 178.672 176.300 0.216 0.000 0.994 222 D CA 1.586 55.683 54.000 0.161 0.000 0.830 222 D CB -0.032 40.897 40.800 0.215 0.000 0.959 222 D HN 0.378 nan 8.370 nan 0.000 0.452 223 R N 0.229 120.850 120.500 0.203 0.000 2.120 223 R HA -0.047 4.293 4.340 -0.000 0.000 0.234 223 R C 2.354 178.756 176.300 0.171 0.000 1.123 223 R CA 1.047 57.267 56.100 0.200 0.000 0.975 223 R CB -0.380 30.007 30.300 0.146 0.000 0.866 223 R HN 0.173 nan 8.270 nan 0.000 0.446 224 A N 1.908 124.804 122.820 0.127 0.000 1.845 224 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 224 A C 2.261 179.916 177.584 0.118 0.000 1.195 224 A CA 1.192 53.290 52.037 0.101 0.000 0.616 224 A CB -0.697 18.337 19.000 0.057 0.000 0.832 224 A HN 0.163 nan 8.150 nan 0.000 0.443 225 L N -1.506 119.764 121.223 0.079 0.000 2.013 225 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 225 L C 2.562 179.461 176.870 0.048 0.000 1.073 225 L CA 2.006 56.874 54.840 0.047 0.000 0.753 225 L CB -0.849 41.175 42.059 -0.060 0.000 0.890 225 L HN 0.523 nan 8.230 nan 0.000 0.432 226 H N -0.920 118.215 119.070 0.109 0.000 2.491 226 H HA -0.082 4.474 4.556 -0.000 0.000 0.290 226 H C 2.146 177.529 175.328 0.092 0.000 1.050 226 H CA 0.894 56.997 56.048 0.091 0.000 1.309 226 H CB -0.065 29.751 29.762 0.090 0.000 1.392 226 H HN 0.358 nan 8.280 nan 0.000 0.554 227 G N -0.331 108.599 108.800 0.216 0.000 2.425 227 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.213 227 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.213 227 G C 1.432 176.444 174.900 0.187 0.000 1.201 227 G CA 0.569 45.771 45.100 0.170 0.000 0.799 227 G HN 0.424 nan 8.290 nan 0.000 0.534 228 Y N 1.336 121.683 120.300 0.077 0.000 2.193 228 Y HA -0.248 4.302 4.550 -0.000 0.000 0.285 228 Y C 2.947 178.962 175.900 0.191 0.000 1.166 228 Y CA 2.281 60.446 58.100 0.108 0.000 1.181 228 Y CB -0.372 38.140 38.460 0.087 0.000 0.976 228 Y HN 0.284 nan 8.280 nan 0.000 0.520 229 Q N 0.848 120.698 119.800 0.084 0.000 2.152 229 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 229 Q C 1.867 177.889 176.000 0.038 0.000 0.985 229 Q CA 2.117 57.870 55.803 -0.083 0.000 0.863 229 Q CB -0.212 28.492 28.738 -0.057 0.000 0.904 229 Q HN 0.490 nan 8.270 nan 0.000 0.422 230 K N -0.521 119.920 120.400 0.069 0.000 2.432 230 K HA 0.046 4.366 4.320 -0.000 0.000 0.196 230 K C 0.394 176.996 176.600 0.003 0.000 1.038 230 K CA -0.058 56.256 56.287 0.046 0.000 0.986 230 K CB -0.011 32.515 32.500 0.043 0.000 0.782 230 K HN 0.236 nan 8.250 nan 0.000 0.485 231 L N 0.243 121.431 121.223 -0.059 0.000 2.456 231 L HA -0.072 4.268 4.340 -0.000 0.000 0.266 231 L C 1.813 178.487 176.870 -0.327 0.000 1.258 231 L CA 0.088 54.782 54.840 -0.243 0.000 0.823 231 L CB 0.241 42.043 42.059 -0.428 0.000 1.100 231 L HN 0.037 nan 8.230 nan 0.000 0.531 232 S N -0.179 115.341 115.700 -0.300 0.000 2.501 232 S HA 0.085 4.555 4.470 -0.000 0.000 0.220 232 S C 0.005 174.410 174.600 -0.325 0.000 0.997 232 S CA 0.005 58.067 58.200 -0.230 0.000 0.919 232 S CB 0.059 63.174 63.200 -0.141 0.000 0.778 232 S HN 0.418 nan 8.310 nan 0.000 0.523 233 V N 0.485 120.085 119.914 -0.522 0.000 2.733 233 V HA 0.638 4.758 4.120 -0.000 0.000 0.306 233 V C -1.747 173.939 176.094 -0.680 0.000 1.084 233 V CA -0.966 61.058 62.300 -0.459 0.000 0.905 233 V CB 1.191 32.876 31.823 -0.231 0.000 1.010 233 V HN 0.303 nan 8.190 nan 0.000 0.424 234 H N 4.904 123.877 119.070 -0.163 0.000 2.541 234 H HA 0.518 5.074 4.556 -0.000 0.000 0.246 234 H C -2.680 172.671 175.328 0.038 0.000 1.341 234 H CA -1.687 54.300 56.048 -0.101 0.000 1.469 234 H CB 1.100 30.701 29.762 -0.267 0.000 1.472 234 H HN 0.624 nan 8.280 nan 0.000 0.503 235 P HA -0.172 nan 4.420 nan 0.000 0.261 235 P C -0.028 177.227 177.300 -0.074 0.000 1.173 235 P CA 0.470 63.441 63.100 -0.215 0.000 0.760 235 P CB 0.509 31.924 31.700 -0.476 0.000 0.783 236 F N -0.308 119.723 119.950 0.135 0.000 2.825 236 F HA -0.245 4.282 4.527 -0.000 0.000 0.358 236 F C 1.945 177.898 175.800 0.256 0.000 0.639 236 F CA 1.224 59.329 58.000 0.174 0.000 1.153 236 F CB -2.214 36.862 39.000 0.128 0.000 1.610 236 F HN 0.387 nan 8.300 nan 0.000 0.305 237 R N 1.227 121.937 120.500 0.350 0.000 2.115 237 R HA -0.115 4.225 4.340 -0.000 0.000 0.230 237 R C 2.306 178.696 176.300 0.150 0.000 1.111 237 R CA 1.711 57.951 56.100 0.233 0.000 0.976 237 R CB -0.215 30.183 30.300 0.165 0.000 0.870 237 R HN 0.480 nan 8.270 nan 0.000 0.445 238 R N 0.199 120.794 120.500 0.157 0.000 2.091 238 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 238 R C 1.932 178.302 176.300 0.117 0.000 1.136 238 R CA 1.882 58.047 56.100 0.107 0.000 0.959 238 R CB -0.435 29.930 30.300 0.109 0.000 0.856 238 R HN 0.297 nan 8.270 nan 0.000 0.437 239 A N 0.146 123.088 122.820 0.202 0.000 2.066 239 A HA 0.098 4.418 4.320 -0.000 0.000 0.218 239 A C 2.231 179.904 177.584 0.149 0.000 1.157 239 A CA 1.192 53.353 52.037 0.206 0.000 0.670 239 A CB -0.434 18.731 19.000 0.276 0.000 0.804 239 A HN 0.568 nan 8.150 nan 0.000 0.453 240 A N -0.015 122.844 122.820 0.064 0.000 1.970 240 A HA -0.031 4.288 4.320 -0.000 0.000 0.216 240 A C 1.842 179.288 177.584 -0.230 0.000 1.170 240 A CA 1.228 53.051 52.037 -0.358 0.000 0.645 240 A CB -0.331 18.334 19.000 -0.559 0.000 0.816 240 A HN 0.589 nan 8.150 nan 0.000 0.447 241 E N 0.261 120.396 120.200 -0.108 0.000 2.051 241 E HA -0.161 4.189 4.350 -0.000 0.000 0.192 241 E C 1.824 178.390 176.600 -0.057 0.000 0.991 241 E CA 1.380 57.725 56.400 -0.092 0.000 0.799 241 E CB -0.356 29.309 29.700 -0.058 0.000 0.748 241 E HN 0.671 nan 8.360 nan 0.000 0.449 242 I N 1.010 121.570 120.570 -0.018 0.000 2.361 242 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 242 I C 2.285 178.413 176.117 0.019 0.000 1.133 242 I CA 0.830 62.137 61.300 0.011 0.000 1.413 242 I CB -0.577 37.444 38.000 0.034 0.000 1.073 242 I HN 0.065 nan 8.210 nan 0.000 0.424 243 R N 1.390 121.883 120.500 -0.013 0.000 2.083 243 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 243 R C 2.417 178.745 176.300 0.047 0.000 1.137 243 R CA 1.713 57.814 56.100 0.002 0.000 0.951 243 R CB -0.982 29.252 30.300 -0.109 0.000 0.851 243 R HN 0.416 nan 8.270 nan 0.000 0.434 244 A N 1.183 123.984 122.820 -0.032 0.000 1.873 244 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 244 A C 2.251 179.895 177.584 0.100 0.000 1.186 244 A CA 1.097 53.129 52.037 -0.008 0.000 0.616 244 A CB -0.637 18.284 19.000 -0.132 0.000 0.823 244 A HN 0.226 nan 8.150 nan 0.000 0.442 245 L N 0.261 121.511 121.223 0.045 0.000 1.990 245 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 245 L C 1.781 178.716 176.870 0.107 0.000 1.072 245 L CA 2.773 57.648 54.840 0.058 0.000 0.755 245 L CB -0.703 41.370 42.059 0.023 0.000 0.889 245 L HN 0.363 nan 8.230 nan 0.000 0.432 246 D N -1.226 119.235 120.400 0.101 0.000 2.092 246 D HA -0.266 4.374 4.640 -0.000 0.000 0.193 246 D C 1.752 178.122 176.300 0.116 0.000 0.994 246 D CA 1.682 55.738 54.000 0.093 0.000 0.828 246 D CB -0.609 40.239 40.800 0.079 0.000 0.963 246 D HN 0.593 nan 8.370 nan 0.000 0.450 247 W N 1.672 122.972 121.300 -0.001 0.000 2.304 247 W HA -0.211 4.449 4.660 -0.000 0.000 0.315 247 W C 2.212 178.763 176.519 0.053 0.000 1.233 247 W CA 1.482 58.828 57.345 0.002 0.000 1.261 247 W CB -0.481 28.962 29.460 -0.027 0.000 1.150 247 W HN -0.054 nan 8.180 nan 0.000 0.494 248 L N -0.222 121.224 121.223 0.372 0.000 2.083 248 L HA -0.257 4.083 4.340 -0.000 0.000 0.209 248 L C 2.473 179.602 176.870 0.430 0.000 1.083 248 L CA 1.216 56.300 54.840 0.408 0.000 0.752 248 L CB -0.924 41.294 42.059 0.265 0.000 0.899 248 L HN 0.113 nan 8.230 nan 0.000 0.433 249 L N -0.637 120.724 121.223 0.230 0.000 2.056 249 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 249 L C 2.564 179.453 176.870 0.031 0.000 1.078 249 L CA 1.199 56.139 54.840 0.166 0.000 0.749 249 L CB -0.478 41.639 42.059 0.096 0.000 0.901 249 L HN 0.314 nan 8.230 nan 0.000 0.433 250 E N 0.273 120.424 120.200 -0.081 0.000 2.051 250 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 250 E C 2.030 178.430 176.600 -0.335 0.000 0.991 250 E CA 1.091 57.362 56.400 -0.215 0.000 0.799 250 E CB -0.129 29.378 29.700 -0.323 0.000 0.748 250 E HN 0.370 nan 8.360 nan 0.000 0.449 251 R N 1.090 121.338 120.500 -0.421 0.000 2.319 251 R HA 0.038 4.378 4.340 -0.000 0.000 0.204 251 R C 0.677 176.935 176.300 -0.070 0.000 0.954 251 R CA -0.112 55.737 56.100 -0.417 0.000 1.066 251 R CB 0.044 29.994 30.300 -0.583 0.000 0.991 251 R HN 0.164 nan 8.270 nan 0.000 0.486 252 Q N 0.752 120.428 119.800 -0.208 0.000 2.315 252 Q HA 0.124 4.463 4.340 -0.000 0.000 0.289 252 Q C -0.502 175.257 176.000 -0.402 0.000 1.044 252 Q CA -0.163 55.214 55.803 -0.711 0.000 0.920 252 Q CB 0.846 29.097 28.738 -0.811 0.000 1.214 252 Q HN 0.237 nan 8.270 nan 0.000 0.392 253 A N 3.082 125.594 122.820 -0.513 0.000 2.346 253 A HA 0.367 4.687 4.320 -0.000 0.000 0.252 253 A C 1.105 178.510 177.584 -0.298 0.000 1.089 253 A CA 0.151 52.007 52.037 -0.302 0.000 0.797 253 A CB 0.146 18.988 19.000 -0.265 0.000 1.047 253 A HN 1.039 nan 8.150 nan 0.000 0.494 254 G N -0.291 108.378 108.800 -0.218 0.000 2.443 254 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 254 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 254 G C 0.616 175.427 174.900 -0.148 0.000 1.131 254 G CA 1.278 46.273 45.100 -0.175 0.000 0.775 254 G HN 0.875 nan 8.290 nan 0.000 0.547 255 D N -1.181 119.132 120.400 -0.145 0.000 2.328 255 D HA 0.275 4.914 4.640 -0.000 0.000 0.226 255 D C 1.676 177.884 176.300 -0.154 0.000 1.066 255 D CA 0.586 54.537 54.000 -0.081 0.000 0.861 255 D CB -0.308 40.518 40.800 0.043 0.000 0.912 255 D HN 0.414 nan 8.370 nan 0.000 0.521 256 G N -0.121 108.494 108.800 -0.309 0.000 2.217 256 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 256 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 256 G C 0.670 175.068 174.900 -0.837 0.000 0.990 256 G CA 0.503 45.373 45.100 -0.384 0.000 0.627 256 G HN 0.825 nan 8.290 nan 0.000 0.522 257 S N -0.876 114.111 115.700 -1.188 0.000 2.562 257 S HA 0.582 5.051 4.470 -0.000 0.000 0.256 257 S C -0.021 174.012 174.600 -0.945 0.000 1.248 257 S CA 0.222 57.290 58.200 -1.887 0.000 0.988 257 S CB 0.888 63.215 63.200 -1.455 0.000 1.035 257 S HN 0.764 nan 8.310 nan 0.000 0.548 258 W N -0.227 120.799 121.300 -0.457 0.000 2.740 258 W HA 0.457 5.117 4.660 -0.000 0.000 0.316 258 W C 0.635 177.167 176.519 0.022 0.000 1.020 258 W CA -0.028 57.271 57.345 -0.076 0.000 1.278 258 W CB 0.954 30.442 29.460 0.046 0.000 1.224 258 W HN 1.347 nan 8.180 nan 0.000 0.393 259 G N 1.343 110.269 108.800 0.210 0.000 2.184 259 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.264 259 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.264 259 G C 1.068 176.069 174.900 0.169 0.000 0.975 259 G CA 0.707 45.880 45.100 0.121 0.000 0.642 259 G HN 1.672 nan 8.290 nan 0.000 0.536 260 G N -0.494 108.401 108.800 0.159 0.000 2.203 260 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.263 260 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.263 260 G C 0.466 175.596 174.900 0.383 0.000 1.012 260 G CA 1.244 46.504 45.100 0.267 0.000 0.749 260 G HN 2.223 nan 8.290 nan 0.000 0.512 261 I N -4.580 116.189 120.570 0.331 0.000 2.740 261 I HA 0.600 4.770 4.170 -0.000 0.000 0.303 261 I C 1.092 177.438 176.117 0.381 0.000 1.044 261 I CA -1.173 60.328 61.300 0.335 0.000 1.064 261 I CB 1.665 39.810 38.000 0.242 0.000 1.249 261 I HN -0.041 nan 8.210 nan 0.000 0.433 262 Q N 3.088 123.059 119.800 0.284 0.000 2.050 262 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 262 Q C -0.994 174.925 176.000 -0.134 0.000 0.980 262 Q CA 2.260 58.130 55.803 0.111 0.000 0.840 262 Q CB -1.219 27.472 28.738 -0.080 0.000 0.898 262 Q HN 0.667 nan 8.270 nan 0.000 0.424 263 P HA -0.153 nan 4.420 nan 0.000 0.211 263 P C -1.582 175.652 177.300 -0.109 0.000 1.181 263 P CA 2.538 65.482 63.100 -0.259 0.000 0.929 263 P CB -1.322 30.357 31.700 -0.035 0.000 0.789 264 P HA -0.218 nan 4.420 nan 0.000 0.216 264 P C 1.543 179.008 177.300 0.274 0.000 1.150 264 P CA 1.436 64.698 63.100 0.269 0.000 0.837 264 P CB -0.548 31.314 31.700 0.270 0.000 0.786 265 W N 1.035 122.457 121.300 0.203 0.000 2.315 265 W HA -0.215 4.444 4.660 -0.000 0.000 0.323 265 W C 2.091 178.757 176.519 0.245 0.000 1.233 265 W CA 1.130 58.689 57.345 0.356 0.000 1.267 265 W CB -1.719 27.979 29.460 0.396 0.000 1.160 265 W HN -0.153 nan 8.180 nan 0.000 0.474 266 F N -0.321 119.643 119.950 0.024 0.000 2.095 266 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 266 F C 2.361 178.075 175.800 -0.144 0.000 1.104 266 F CA 1.879 59.768 58.000 -0.184 0.000 1.232 266 F CB -1.766 37.043 39.000 -0.318 0.000 0.987 266 F HN -0.133 nan 8.300 nan 0.000 0.475 267 Y N -0.157 120.267 120.300 0.206 0.000 2.224 267 Y HA -0.119 4.431 4.550 -0.000 0.000 0.289 267 Y C 2.518 178.370 175.900 -0.080 0.000 1.146 267 Y CA 0.555 58.662 58.100 0.012 0.000 1.182 267 Y CB -1.592 36.854 38.460 -0.024 0.000 0.983 267 Y HN 0.033 nan 8.280 nan 0.000 0.524 268 A N 0.056 122.836 122.820 -0.067 0.000 1.933 268 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 268 A C 2.323 179.771 177.584 -0.225 0.000 1.175 268 A CA 1.542 53.320 52.037 -0.432 0.000 0.628 268 A CB -1.091 17.090 19.000 -1.365 0.000 0.814 268 A HN 0.468 nan 8.150 nan 0.000 0.444 269 L N -0.679 120.528 121.223 -0.026 0.000 2.056 269 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 269 L C 2.493 179.460 176.870 0.162 0.000 1.078 269 L CA 1.173 56.084 54.840 0.118 0.000 0.749 269 L CB -0.434 41.658 42.059 0.054 0.000 0.901 269 L HN 0.378 nan 8.230 nan 0.000 0.433 270 I N -0.195 120.429 120.570 0.089 0.000 2.163 270 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 270 I C 2.777 178.946 176.117 0.086 0.000 1.085 270 I CA 1.254 62.599 61.300 0.075 0.000 1.347 270 I CB -0.434 37.611 38.000 0.076 0.000 1.044 270 I HN 0.227 nan 8.210 nan 0.000 0.408 271 A N 0.726 123.580 122.820 0.055 0.000 1.940 271 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 271 A C 2.293 179.898 177.584 0.034 0.000 1.176 271 A CA 1.408 53.457 52.037 0.019 0.000 0.631 271 A CB -0.779 18.198 19.000 -0.038 0.000 0.814 271 A HN 0.404 nan 8.150 nan 0.000 0.446 272 L N -1.064 120.207 121.223 0.080 0.000 2.141 272 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 272 L C 2.583 179.486 176.870 0.056 0.000 1.094 272 L CA 1.704 56.616 54.840 0.120 0.000 0.763 272 L CB -0.316 41.935 42.059 0.319 0.000 0.908 272 L HN 0.401 nan 8.230 nan 0.000 0.437 273 K N 0.830 121.276 120.400 0.077 0.000 2.097 273 K HA -0.133 4.186 4.320 -0.000 0.000 0.205 273 K C 1.889 178.496 176.600 0.013 0.000 1.050 273 K CA 1.315 57.576 56.287 -0.044 0.000 0.938 273 K CB -0.143 32.342 32.500 -0.027 0.000 0.718 273 K HN 0.010 nan 8.250 nan 0.000 0.442 274 I N 1.212 121.826 120.570 0.074 0.000 2.264 274 I HA -0.204 3.965 4.170 -0.000 0.000 0.248 274 I C 1.232 177.362 176.117 0.022 0.000 1.111 274 I CA 1.269 62.622 61.300 0.087 0.000 1.382 274 I CB -0.751 37.294 38.000 0.074 0.000 1.060 274 I HN 0.164 nan 8.210 nan 0.000 0.418 275 L N 1.010 122.234 121.223 0.001 0.000 2.888 275 L HA 0.153 4.492 4.340 -0.000 0.000 0.237 275 L C -0.277 176.578 176.870 -0.025 0.000 1.288 275 L CA -0.319 54.514 54.840 -0.013 0.000 1.110 275 L CB -0.774 41.278 42.059 -0.012 0.000 1.441 275 L HN 0.106 nan 8.230 nan 0.000 0.474 276 D N 1.921 122.297 120.400 -0.040 0.000 2.894 276 D HA -0.228 4.411 4.640 -0.000 0.000 0.216 276 D C 0.382 176.639 176.300 -0.071 0.000 1.245 276 D CA 1.262 55.222 54.000 -0.065 0.000 0.728 276 D CB -0.249 40.528 40.800 -0.039 0.000 0.924 276 D HN 0.464 nan 8.370 nan 0.000 0.395 277 M N -0.325 119.201 119.600 -0.123 0.000 3.181 277 M HA 0.006 4.486 4.480 -0.000 0.000 0.422 277 M C 1.309 177.463 176.300 -0.243 0.000 1.481 277 M CA -0.150 55.106 55.300 -0.073 0.000 0.783 277 M CB 0.762 33.361 32.600 -0.002 0.000 1.437 277 M HN 0.028 nan 8.290 nan 0.000 0.505 278 T N -2.951 111.317 114.554 -0.477 0.000 3.118 278 T HA 0.033 4.383 4.350 -0.000 0.000 0.260 278 T C 1.489 175.966 174.700 -0.372 0.000 1.139 278 T CA 0.639 62.152 62.100 -0.979 0.000 1.085 278 T CB 0.118 68.465 68.868 -0.867 0.000 0.934 278 T HN 0.339 nan 8.240 nan 0.000 0.518 279 Q N 0.117 119.839 119.800 -0.130 0.000 2.297 279 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 279 Q C 0.758 176.814 176.000 0.093 0.000 0.931 279 Q CA 0.286 56.087 55.803 -0.004 0.000 0.885 279 Q CB -0.207 28.523 28.738 -0.014 0.000 0.991 279 Q HN 0.653 nan 8.270 nan 0.000 0.498 280 H N 2.253 121.351 119.070 0.047 0.000 2.972 280 H HA -0.027 4.529 4.556 -0.000 0.000 0.343 280 H C -1.659 173.775 175.328 0.176 0.000 1.054 280 H CA -1.042 55.069 56.048 0.106 0.000 1.412 280 H CB 1.222 31.053 29.762 0.115 0.000 1.385 280 H HN -0.133 nan 8.280 nan 0.000 0.600 281 P HA -0.172 nan 4.420 nan 0.000 0.215 281 P C 1.182 178.699 177.300 0.362 0.000 1.157 281 P CA 2.389 65.605 63.100 0.192 0.000 0.874 281 P CB -0.096 31.627 31.700 0.038 0.000 0.790 282 A N -1.711 121.458 122.820 0.581 0.000 2.032 282 A HA -0.231 4.089 4.320 -0.000 0.000 0.221 282 A C 2.087 179.927 177.584 0.426 0.000 1.165 282 A CA 1.675 53.944 52.037 0.388 0.000 0.645 282 A CB -1.720 17.467 19.000 0.311 0.000 0.807 282 A HN 0.218 nan 8.150 nan 0.000 0.453 283 F N -0.253 119.898 119.950 0.334 0.000 2.220 283 F HA 0.109 4.636 4.527 -0.000 0.000 0.290 283 F C 1.878 177.861 175.800 0.304 0.000 1.080 283 F CA 0.858 59.045 58.000 0.311 0.000 1.318 283 F CB -0.188 38.939 39.000 0.212 0.000 1.063 283 F HN 0.130 nan 8.300 nan 0.000 0.498 284 I N 0.809 121.695 120.570 0.527 0.000 2.127 284 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 284 I C 2.368 178.659 176.117 0.290 0.000 1.075 284 I CA 1.965 63.501 61.300 0.393 0.000 1.334 284 I CB -0.473 37.707 38.000 0.300 0.000 1.040 284 I HN 0.073 nan 8.210 nan 0.000 0.405 285 K N 1.353 121.892 120.400 0.232 0.000 2.211 285 K HA -0.087 4.232 4.320 -0.000 0.000 0.203 285 K C 1.832 178.534 176.600 0.169 0.000 1.050 285 K CA 1.528 57.915 56.287 0.166 0.000 0.945 285 K CB -0.533 32.028 32.500 0.102 0.000 0.732 285 K HN 0.323 nan 8.250 nan 0.000 0.451 286 G N -0.000 108.922 108.800 0.204 0.000 2.430 286 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 286 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 286 G C 1.309 176.507 174.900 0.497 0.000 1.146 286 G CA 0.423 45.718 45.100 0.325 0.000 0.793 286 G HN 0.493 nan 8.290 nan 0.000 0.537 287 W N 2.445 123.752 121.300 0.012 0.000 2.407 287 W HA -0.056 4.604 4.660 -0.000 0.000 0.305 287 W C 2.258 178.823 176.519 0.076 0.000 1.196 287 W CA 1.471 58.762 57.345 -0.090 0.000 1.311 287 W CB -0.062 29.208 29.460 -0.317 0.000 1.135 287 W HN 0.514 nan 8.180 nan 0.000 0.514 288 E N 0.146 120.405 120.200 0.099 0.000 2.106 288 E HA -0.106 4.243 4.350 -0.000 0.000 0.192 288 E C 2.295 178.933 176.600 0.063 0.000 0.984 288 E CA 1.428 57.815 56.400 -0.021 0.000 0.806 288 E CB -1.337 28.449 29.700 0.142 0.000 0.750 288 E HN 0.224 nan 8.360 nan 0.000 0.458 289 G N 1.912 110.849 108.800 0.228 0.000 2.499 289 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.221 289 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.221 289 G C 1.588 176.851 174.900 0.606 0.000 1.109 289 G CA 0.673 46.004 45.100 0.385 0.000 0.749 289 G HN 0.169 nan 8.290 nan 0.000 0.568 290 L N 0.069 121.524 121.223 0.386 0.000 2.079 290 L HA -0.113 4.227 4.340 -0.000 0.000 0.210 290 L C 2.892 179.946 176.870 0.306 0.000 1.081 290 L CA 1.103 56.021 54.840 0.130 0.000 0.752 290 L CB -0.271 41.623 42.059 -0.275 0.000 0.896 290 L HN 0.173 nan 8.230 nan 0.000 0.433 291 E N -0.058 120.249 120.200 0.178 0.000 2.171 291 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 291 E C 2.111 178.865 176.600 0.257 0.000 0.997 291 E CA 1.191 57.713 56.400 0.203 0.000 0.810 291 E CB -0.371 29.392 29.700 0.104 0.000 0.738 291 E HN 0.360 nan 8.360 nan 0.000 0.467 292 L N -0.066 121.353 121.223 0.327 0.000 2.191 292 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 292 L C 1.828 178.837 176.870 0.230 0.000 1.103 292 L CA 1.511 56.530 54.840 0.299 0.000 0.769 292 L CB -0.339 41.908 42.059 0.313 0.000 0.908 292 L HN 0.023 nan 8.230 nan 0.000 0.438 293 Y N -0.230 120.099 120.300 0.049 0.000 2.519 293 Y HA 0.310 4.860 4.550 -0.000 0.000 0.287 293 Y C 1.841 177.420 175.900 -0.534 0.000 1.128 293 Y CA -0.088 57.848 58.100 -0.273 0.000 1.282 293 Y CB -0.945 37.109 38.460 -0.677 0.000 1.027 293 Y HN 0.176 nan 8.280 nan 0.000 0.551 294 G N 0.138 108.833 108.800 -0.176 0.000 2.634 294 G HA2 0.423 4.383 3.960 -0.000 0.000 0.255 294 G HA3 0.423 4.383 3.960 -0.000 0.000 0.255 294 G C -1.098 173.543 174.900 -0.433 0.000 1.205 294 G CA -0.114 44.755 45.100 -0.385 0.000 0.884 294 G HN -0.075 nan 8.290 nan 0.000 0.549 295 V N 0.631 120.096 119.914 -0.749 0.000 2.777 295 V HA 0.268 4.388 4.120 -0.000 0.000 0.306 295 V C -0.787 175.058 176.094 -0.416 0.000 1.112 295 V CA -1.032 60.979 62.300 -0.481 0.000 0.917 295 V CB 1.963 33.498 31.823 -0.480 0.000 1.018 295 V HN 0.727 nan 8.190 nan 0.000 0.426 296 E N 3.682 123.779 120.200 -0.172 0.000 2.313 296 E HA 0.494 4.844 4.350 -0.000 0.000 0.276 296 E C -0.894 175.592 176.600 -0.189 0.000 1.031 296 E CA -0.258 56.092 56.400 -0.083 0.000 0.857 296 E CB 1.979 31.665 29.700 -0.023 0.000 1.040 296 E HN 0.479 nan 8.360 nan 0.000 0.408 297 L N 2.693 123.759 121.223 -0.260 0.000 2.295 297 L HA 0.112 4.452 4.340 -0.000 0.000 0.285 297 L C 1.259 177.931 176.870 -0.330 0.000 1.035 297 L CA -0.613 53.998 54.840 -0.383 0.000 0.806 297 L CB 1.158 42.764 42.059 -0.755 0.000 1.214 297 L HN 0.469 nan 8.230 nan 0.000 0.426 298 D N 0.830 121.129 120.400 -0.169 0.000 2.203 298 D HA -0.330 4.310 4.640 -0.000 0.000 0.199 298 D C 1.349 177.646 176.300 -0.005 0.000 0.997 298 D CA 1.678 55.646 54.000 -0.055 0.000 0.863 298 D CB -0.457 40.353 40.800 0.018 0.000 0.928 298 D HN 0.645 nan 8.370 nan 0.000 0.458 299 Y N -1.584 118.716 120.300 -0.001 0.000 2.488 299 Y HA 0.432 4.982 4.550 -0.000 0.000 0.319 299 Y C 1.595 177.516 175.900 0.036 0.000 1.212 299 Y CA -0.490 57.622 58.100 0.020 0.000 1.273 299 Y CB -0.498 37.973 38.460 0.019 0.000 1.074 299 Y HN 0.092 nan 8.280 nan 0.000 0.503 300 G N -0.601 108.125 108.800 -0.123 0.000 2.141 300 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.242 300 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.242 300 G C 0.478 175.314 174.900 -0.107 0.000 0.982 300 G CA -0.122 44.941 45.100 -0.062 0.000 0.662 300 G HN 1.008 nan 8.290 nan 0.000 0.527 301 G N -1.478 107.079 108.800 -0.405 0.000 2.552 301 G HA2 0.601 4.561 3.960 -0.000 0.000 0.318 301 G HA3 0.601 4.561 3.960 -0.000 0.000 0.318 301 G C -0.889 173.936 174.900 -0.124 0.000 1.240 301 G CA -0.557 44.412 45.100 -0.219 0.000 1.002 301 G HN 0.974 nan 8.290 nan 0.000 0.493 302 W N 0.944 122.086 121.300 -0.263 0.000 3.097 302 W HA 0.636 5.296 4.660 -0.000 0.000 0.335 302 W C -0.580 175.627 176.519 -0.520 0.000 1.114 302 W CA -1.054 56.099 57.345 -0.320 0.000 1.231 302 W CB 1.710 31.032 29.460 -0.230 0.000 1.388 302 W HN 0.676 nan 8.180 nan 0.000 0.485 303 M N 5.447 124.354 119.600 -1.155 0.000 2.530 303 M HA 0.657 5.137 4.480 -0.000 0.000 0.307 303 M C -2.064 173.372 176.300 -1.440 0.000 1.161 303 M CA -0.809 53.733 55.300 -1.263 0.000 0.903 303 M CB 2.674 34.699 32.600 -0.959 0.000 1.711 303 M HN 0.427 nan 8.290 nan 0.000 0.451 304 F N 2.053 121.315 119.950 -1.147 0.000 2.436 304 F HA 0.474 5.001 4.527 -0.000 0.000 0.340 304 F C -0.418 175.189 175.800 -0.322 0.000 1.113 304 F CA -0.174 57.361 58.000 -0.775 0.000 1.022 304 F CB 1.656 40.367 39.000 -0.482 0.000 1.128 304 F HN 0.696 nan 8.300 nan 0.000 0.466 305 Q N 4.570 124.035 119.800 -0.560 0.000 2.314 305 Q HA 0.363 4.703 4.340 -0.000 0.000 0.258 305 Q C 0.878 176.919 176.000 0.068 0.000 0.954 305 Q CA 0.093 55.777 55.803 -0.198 0.000 0.890 305 Q CB 1.592 30.228 28.738 -0.171 0.000 1.210 305 Q HN 0.926 nan 8.270 nan 0.000 0.410 306 A N 2.340 125.270 122.820 0.183 0.000 1.972 306 A HA -0.080 4.239 4.320 -0.000 0.000 0.219 306 A C 1.025 178.812 177.584 0.339 0.000 1.169 306 A CA 1.660 53.874 52.037 0.295 0.000 0.635 306 A CB 0.209 19.421 19.000 0.354 0.000 0.810 306 A HN 0.593 nan 8.150 nan 0.000 0.446 307 S N -2.506 113.390 115.700 0.327 0.000 2.661 307 S HA 0.596 5.066 4.470 -0.000 0.000 0.268 307 S C -1.511 173.267 174.600 0.297 0.000 1.162 307 S CA -0.155 58.315 58.200 0.451 0.000 0.817 307 S CB 0.650 64.117 63.200 0.446 0.000 1.141 307 S HN 0.859 nan 8.310 nan 0.000 0.477 308 I N 0.695 121.378 120.570 0.188 0.000 2.582 308 I HA 0.661 4.830 4.170 -0.000 0.000 0.292 308 I C -0.044 175.762 176.117 -0.518 0.000 1.066 308 I CA -0.688 60.573 61.300 -0.066 0.000 1.053 308 I CB 2.402 40.243 38.000 -0.266 0.000 1.241 308 I HN 0.554 nan 8.210 nan 0.000 0.421 309 S N 3.521 118.915 115.700 -0.510 0.000 2.506 309 S HA 0.382 4.852 4.470 -0.000 0.000 0.245 309 S C -1.469 172.862 174.600 -0.449 0.000 1.088 309 S CA -0.950 56.682 58.200 -0.946 0.000 1.099 309 S CB -0.541 62.450 63.200 -0.347 0.000 0.805 309 S HN 0.690 nan 8.310 nan 0.000 0.461 310 P HA -0.111 nan 4.420 nan 0.000 0.214 310 P C 1.601 178.809 177.300 -0.153 0.000 1.163 310 P CA 0.957 63.712 63.100 -0.575 0.000 0.883 310 P CB -0.092 30.672 31.700 -1.560 0.000 0.788 311 V N 0.024 119.874 119.914 -0.106 0.000 2.282 311 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 311 V C 2.563 178.778 176.094 0.202 0.000 1.057 311 V CA 2.113 64.528 62.300 0.191 0.000 1.032 311 V CB -1.612 30.312 31.823 0.168 0.000 0.645 311 V HN 0.231 nan 8.190 nan 0.000 0.447 312 W N 0.992 122.267 121.300 -0.041 0.000 2.335 312 W HA -0.211 4.449 4.660 -0.000 0.000 0.311 312 W C 2.249 178.807 176.519 0.066 0.000 1.213 312 W CA 2.047 59.438 57.345 0.078 0.000 1.274 312 W CB -0.183 29.436 29.460 0.265 0.000 1.148 312 W HN 0.366 nan 8.180 nan 0.000 0.498 313 D N -0.288 120.196 120.400 0.140 0.000 2.097 313 D HA -0.158 4.481 4.640 -0.000 0.000 0.195 313 D C 2.066 178.345 176.300 -0.035 0.000 0.989 313 D CA 2.259 56.285 54.000 0.043 0.000 0.827 313 D CB -0.764 40.170 40.800 0.224 0.000 0.966 313 D HN 0.101 nan 8.370 nan 0.000 0.456 314 T N 0.334 114.967 114.554 0.131 0.000 2.759 314 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 314 T C 1.936 176.629 174.700 -0.011 0.000 1.042 314 T CA 1.435 63.679 62.100 0.240 0.000 1.140 314 T CB -0.583 68.456 68.868 0.286 0.000 0.864 314 T HN 0.257 nan 8.240 nan 0.000 0.455 315 G N 1.503 110.230 108.800 -0.122 0.000 2.453 315 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.215 315 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.215 315 G C 1.476 176.073 174.900 -0.504 0.000 1.201 315 G CA 0.537 45.462 45.100 -0.293 0.000 0.784 315 G HN 0.445 nan 8.290 nan 0.000 0.545 316 L N 0.820 121.647 121.223 -0.660 0.000 2.017 316 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 316 L C 3.465 179.924 176.870 -0.685 0.000 1.073 316 L CA 0.959 55.342 54.840 -0.762 0.000 0.745 316 L CB -0.703 40.812 42.059 -0.908 0.000 0.894 316 L HN 0.308 nan 8.230 nan 0.000 0.432 317 A N 0.291 122.693 122.820 -0.697 0.000 1.881 317 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 317 A C 2.385 179.487 177.584 -0.803 0.000 1.215 317 A CA 2.575 54.026 52.037 -0.977 0.000 0.648 317 A CB -1.170 16.835 19.000 -1.659 0.000 0.832 317 A HN 0.192 nan 8.150 nan 0.000 0.455 318 V N 0.029 119.599 119.914 -0.573 0.000 2.233 318 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 318 V C 2.600 178.474 176.094 -0.366 0.000 1.050 318 V CA 2.202 64.295 62.300 -0.345 0.000 1.010 318 V CB -0.804 30.906 31.823 -0.188 0.000 0.637 318 V HN 0.600 nan 8.190 nan 0.000 0.444 319 L N -0.189 120.750 121.223 -0.472 0.000 2.127 319 L HA -0.215 4.124 4.340 -0.000 0.000 0.211 319 L C 2.624 179.269 176.870 -0.375 0.000 1.089 319 L CA 1.571 56.111 54.840 -0.502 0.000 0.757 319 L CB -0.774 40.812 42.059 -0.787 0.000 0.899 319 L HN 0.407 nan 8.230 nan 0.000 0.434 320 A N 0.019 122.598 122.820 -0.402 0.000 1.872 320 A HA -0.090 4.229 4.320 -0.000 0.000 0.214 320 A C 2.207 179.654 177.584 -0.228 0.000 1.187 320 A CA 1.004 52.856 52.037 -0.308 0.000 0.614 320 A CB -0.594 18.184 19.000 -0.370 0.000 0.826 320 A HN 0.326 nan 8.150 nan 0.000 0.442 321 L N -0.836 120.229 121.223 -0.265 0.000 2.191 321 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 321 L C 2.837 179.632 176.870 -0.125 0.000 1.103 321 L CA 0.839 55.568 54.840 -0.185 0.000 0.769 321 L CB -0.372 41.560 42.059 -0.212 0.000 0.908 321 L HN 0.302 nan 8.230 nan 0.000 0.438 322 R N -0.121 120.296 120.500 -0.138 0.000 2.055 322 R HA 0.040 4.379 4.340 -0.000 0.000 0.226 322 R C 2.352 178.618 176.300 -0.057 0.000 1.135 322 R CA 1.300 57.350 56.100 -0.083 0.000 0.959 322 R CB -0.779 29.464 30.300 -0.095 0.000 0.854 322 R HN 0.275 nan 8.270 nan 0.000 0.431 323 A N 1.448 124.222 122.820 -0.076 0.000 2.024 323 A HA -0.101 4.218 4.320 -0.000 0.000 0.220 323 A C 2.333 179.902 177.584 -0.024 0.000 1.164 323 A CA 1.823 53.837 52.037 -0.038 0.000 0.643 323 A CB -0.459 18.514 19.000 -0.044 0.000 0.806 323 A HN 0.363 nan 8.150 nan 0.000 0.451 324 A N -1.923 120.874 122.820 -0.038 0.000 1.855 324 A HA 0.320 4.640 4.320 -0.000 0.000 0.215 324 A C 2.039 179.629 177.584 0.010 0.000 1.191 324 A CA 2.289 54.320 52.037 -0.011 0.000 0.613 324 A CB -0.623 18.366 19.000 -0.017 0.000 0.829 324 A HN 1.463 nan 8.150 nan 0.000 0.442 325 G N -2.713 106.089 108.800 0.004 0.000 3.897 325 G HA2 0.109 4.069 3.960 -0.000 0.000 0.207 325 G HA3 0.109 4.069 3.960 -0.000 0.000 0.207 325 G C 0.172 175.094 174.900 0.037 0.000 0.872 325 G CA -0.121 44.995 45.100 0.026 0.000 0.872 325 G HN 0.257 nan 8.290 nan 0.000 0.442 326 L N 2.445 123.686 121.223 0.030 0.000 2.573 326 L HA 0.144 4.484 4.340 -0.000 0.000 0.290 326 L C -1.754 175.171 176.870 0.091 0.000 1.247 326 L CA -0.796 54.088 54.840 0.073 0.000 0.876 326 L CB 0.230 42.278 42.059 -0.017 0.000 1.123 326 L HN 0.048 nan 8.230 nan 0.000 0.505 327 P HA -0.036 nan 4.420 nan 0.000 0.265 327 P C 0.140 177.502 177.300 0.104 0.000 1.193 327 P CA 0.050 63.214 63.100 0.105 0.000 0.765 327 P CB 0.757 32.512 31.700 0.091 0.000 0.823 328 A N 3.550 126.410 122.820 0.066 0.000 2.139 328 A HA -0.193 4.127 4.320 -0.000 0.000 0.221 328 A C 1.321 178.948 177.584 0.071 0.000 1.159 328 A CA 2.044 54.115 52.037 0.056 0.000 0.662 328 A CB -0.872 18.155 19.000 0.045 0.000 0.796 328 A HN 0.660 nan 8.150 nan 0.000 0.463 329 D N -2.597 117.849 120.400 0.078 0.000 2.479 329 D HA 0.003 4.642 4.640 -0.000 0.000 0.218 329 D C 0.384 176.739 176.300 0.092 0.000 1.177 329 D CA -0.547 53.497 54.000 0.073 0.000 0.830 329 D CB -0.966 39.861 40.800 0.044 0.000 1.014 329 D HN 0.410 nan 8.370 nan 0.000 0.503 330 H N 2.858 121.943 119.070 0.024 0.000 3.173 330 H HA -0.107 4.449 4.556 -0.000 0.000 0.311 330 H C 1.289 176.631 175.328 0.024 0.000 0.972 330 H CA 1.337 57.399 56.048 0.023 0.000 1.384 330 H CB 0.953 30.731 29.762 0.027 0.000 1.349 330 H HN 0.246 nan 8.280 nan 0.000 0.582 331 D N 4.741 125.161 120.400 0.034 0.000 2.133 331 D HA -0.246 4.394 4.640 -0.000 0.000 0.195 331 D C 1.825 178.234 176.300 0.182 0.000 0.997 331 D CA 1.124 55.177 54.000 0.088 0.000 0.840 331 D CB -0.019 40.780 40.800 -0.002 0.000 0.947 331 D HN 0.386 nan 8.370 nan 0.000 0.452 332 R N 0.407 121.128 120.500 0.369 0.000 2.075 332 R HA 0.098 4.438 4.340 -0.000 0.000 0.232 332 R C 2.544 178.902 176.300 0.097 0.000 1.126 332 R CA 0.690 56.886 56.100 0.160 0.000 0.963 332 R CB -0.643 29.709 30.300 0.087 0.000 0.858 332 R HN 0.274 nan 8.270 nan 0.000 0.435 333 L N -0.318 120.986 121.223 0.135 0.000 2.456 333 L HA -0.068 4.272 4.340 -0.000 0.000 0.224 333 L C 1.648 178.587 176.870 0.115 0.000 1.148 333 L CA 0.361 55.270 54.840 0.116 0.000 0.825 333 L CB -0.067 42.043 42.059 0.085 0.000 0.937 333 L HN 0.061 nan 8.230 nan 0.000 0.450 334 V N -1.047 118.934 119.914 0.112 0.000 2.825 334 V HA -0.082 4.038 4.120 -0.000 0.000 0.246 334 V C 2.362 178.513 176.094 0.096 0.000 1.068 334 V CA 0.805 63.164 62.300 0.098 0.000 1.088 334 V CB -0.149 31.724 31.823 0.083 0.000 0.733 334 V HN 0.298 nan 8.190 nan 0.000 0.468 335 K N 0.824 121.266 120.400 0.069 0.000 2.160 335 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 335 K C 2.160 178.819 176.600 0.099 0.000 1.047 335 K CA 1.633 57.949 56.287 0.049 0.000 0.930 335 K CB -0.494 31.984 32.500 -0.036 0.000 0.720 335 K HN 0.490 nan 8.250 nan 0.000 0.450 336 A N 0.604 123.481 122.820 0.095 0.000 1.898 336 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 336 A C 2.476 180.218 177.584 0.263 0.000 1.183 336 A CA 1.666 53.811 52.037 0.179 0.000 0.622 336 A CB -0.867 18.258 19.000 0.209 0.000 0.824 336 A HN 0.353 nan 8.150 nan 0.000 0.444 337 G N -0.182 108.727 108.800 0.182 0.000 2.421 337 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 337 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 337 G C 1.393 176.398 174.900 0.175 0.000 1.171 337 G CA 1.022 46.218 45.100 0.160 0.000 0.775 337 G HN 0.473 nan 8.290 nan 0.000 0.543 338 E N -0.196 120.106 120.200 0.169 0.000 2.077 338 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 338 E C 2.038 178.747 176.600 0.181 0.000 0.989 338 E CA 0.907 57.395 56.400 0.147 0.000 0.800 338 E CB -0.387 29.388 29.700 0.126 0.000 0.746 338 E HN 0.672 nan 8.360 nan 0.000 0.452 339 W N 1.762 123.103 121.300 0.067 0.000 2.335 339 W HA -0.152 4.508 4.660 -0.000 0.000 0.311 339 W C 2.099 178.678 176.519 0.100 0.000 1.213 339 W CA 1.398 58.791 57.345 0.080 0.000 1.274 339 W CB -0.425 29.102 29.460 0.110 0.000 1.148 339 W HN -0.032 nan 8.180 nan 0.000 0.498 340 L N 0.182 121.596 121.223 0.318 0.000 2.191 340 L HA -0.240 4.100 4.340 -0.000 0.000 0.212 340 L C 2.364 179.329 176.870 0.159 0.000 1.103 340 L CA 1.003 55.958 54.840 0.191 0.000 0.769 340 L CB -0.793 41.406 42.059 0.233 0.000 0.908 340 L HN 0.114 nan 8.230 nan 0.000 0.438 341 L N -0.693 120.599 121.223 0.115 0.000 2.156 341 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 341 L C 1.855 178.707 176.870 -0.029 0.000 1.095 341 L CA 0.804 55.702 54.840 0.096 0.000 0.770 341 L CB -0.411 41.697 42.059 0.082 0.000 0.914 341 L HN 0.270 nan 8.230 nan 0.000 0.439 342 D N -0.432 119.894 120.400 -0.123 0.000 2.347 342 D HA -0.075 4.565 4.640 -0.000 0.000 0.215 342 D C 2.172 178.299 176.300 -0.289 0.000 0.976 342 D CA 0.462 54.341 54.000 -0.201 0.000 0.884 342 D CB 0.042 40.701 40.800 -0.234 0.000 0.915 342 D HN 0.143 nan 8.370 nan 0.000 0.526 343 R N 0.554 120.866 120.500 -0.313 0.000 2.161 343 R HA 0.036 4.376 4.340 -0.000 0.000 0.213 343 R C 0.971 177.042 176.300 -0.381 0.000 1.055 343 R CA -0.008 55.897 56.100 -0.325 0.000 0.996 343 R CB -0.561 29.564 30.300 -0.292 0.000 0.901 343 R HN 0.345 nan 8.270 nan 0.000 0.456 344 Q N 1.542 120.997 119.800 -0.576 0.000 2.308 344 Q HA -0.071 4.269 4.340 -0.000 0.000 0.313 344 Q C -0.478 175.119 176.000 -0.672 0.000 1.075 344 Q CA 0.294 55.385 55.803 -1.186 0.000 0.995 344 Q CB 0.444 28.623 28.738 -0.932 0.000 1.107 344 Q HN -0.002 nan 8.270 nan 0.000 0.380 345 I N 4.649 124.819 120.570 -0.666 0.000 2.416 345 I HA 0.030 4.200 4.170 -0.000 0.000 0.288 345 I C 1.113 177.040 176.117 -0.316 0.000 1.051 345 I CA 0.264 61.325 61.300 -0.399 0.000 1.375 345 I CB 0.679 38.484 38.000 -0.325 0.000 1.407 345 I HN 0.782 nan 8.210 nan 0.000 0.516 346 T N 2.693 117.122 114.554 -0.208 0.000 3.266 346 T HA 0.422 4.772 4.350 -0.000 0.000 0.278 346 T C -0.076 174.599 174.700 -0.042 0.000 1.010 346 T CA -0.403 61.624 62.100 -0.122 0.000 0.909 346 T CB -0.614 68.189 68.868 -0.109 0.000 1.122 346 T HN 0.396 nan 8.240 nan 0.000 0.536 347 V N -2.852 117.052 119.914 -0.016 0.000 2.925 347 V HA 0.753 4.873 4.120 -0.000 0.000 0.311 347 V C -3.209 172.931 176.094 0.077 0.000 1.104 347 V CA -3.272 59.040 62.300 0.021 0.000 0.954 347 V CB 1.505 33.314 31.823 -0.023 0.000 1.022 347 V HN -0.103 nan 8.190 nan 0.000 0.427 348 P HA 0.253 nan 4.420 nan 0.000 0.260 348 P C 0.447 177.539 177.300 -0.346 0.000 1.172 348 P CA 1.098 64.007 63.100 -0.319 0.000 0.760 348 P CB 0.390 31.921 31.700 -0.282 0.000 0.773 349 G N 1.997 110.307 108.800 -0.818 0.000 2.736 349 G HA2 0.097 4.056 3.960 -0.000 0.000 0.229 349 G HA3 0.097 4.056 3.960 -0.000 0.000 0.229 349 G C 0.389 174.930 174.900 -0.599 0.000 1.380 349 G CA -0.269 44.555 45.100 -0.461 0.000 1.040 349 G HN 0.272 nan 8.290 nan 0.000 0.568 350 D N -0.486 119.754 120.400 -0.267 0.000 2.317 350 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 350 D C 2.263 178.630 176.300 0.111 0.000 0.966 350 D CA 0.499 54.509 54.000 0.017 0.000 0.876 350 D CB -0.068 40.912 40.800 0.300 0.000 0.927 350 D HN 0.623 nan 8.370 nan 0.000 0.519 351 W N 0.785 122.254 121.300 0.281 0.000 2.465 351 W HA 0.086 4.746 4.660 -0.000 0.000 0.268 351 W C 1.548 178.195 176.519 0.214 0.000 1.242 351 W CA 0.640 58.162 57.345 0.295 0.000 1.248 351 W CB -0.980 28.725 29.460 0.410 0.000 1.118 351 W HN -0.089 nan 8.180 nan 0.000 0.587 352 A N 1.538 124.065 122.820 -0.488 0.000 2.125 352 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 352 A C 2.131 179.647 177.584 -0.113 0.000 1.156 352 A CA 1.924 53.715 52.037 -0.410 0.000 0.671 352 A CB -0.806 17.784 19.000 -0.684 0.000 0.794 352 A HN 0.150 nan 8.150 nan 0.000 0.459 353 V N -0.378 119.487 119.914 -0.082 0.000 2.759 353 V HA -0.136 3.983 4.120 -0.000 0.000 0.256 353 V C 2.106 178.184 176.094 -0.026 0.000 1.080 353 V CA 1.861 64.091 62.300 -0.117 0.000 1.101 353 V CB -0.411 31.234 31.823 -0.295 0.000 0.698 353 V HN 0.418 nan 8.190 nan 0.000 0.477 354 K N -0.411 120.036 120.400 0.078 0.000 2.367 354 K HA 0.260 4.580 4.320 -0.000 0.000 0.195 354 K C 0.639 177.307 176.600 0.113 0.000 1.060 354 K CA 0.140 56.481 56.287 0.090 0.000 1.022 354 K CB 0.668 33.241 32.500 0.121 0.000 0.894 354 K HN 0.226 nan 8.250 nan 0.000 0.540 355 R N 0.734 121.344 120.500 0.183 0.000 2.655 355 R HA 0.208 4.548 4.340 -0.000 0.000 0.261 355 R C -2.355 174.088 176.300 0.238 0.000 1.624 355 R CA -1.381 54.850 56.100 0.219 0.000 1.655 355 R CB 1.017 31.498 30.300 0.300 0.000 1.356 355 R HN -0.121 nan 8.270 nan 0.000 0.684 356 P HA -0.063 nan 4.420 nan 0.000 0.218 356 P C 0.275 177.642 177.300 0.112 0.000 1.148 356 P CA 1.194 64.339 63.100 0.074 0.000 0.822 356 P CB 0.248 31.963 31.700 0.025 0.000 0.784 357 N N -0.919 117.858 118.700 0.129 0.000 2.295 357 N HA 0.106 4.846 4.740 -0.000 0.000 0.221 357 N C -0.325 175.294 175.510 0.182 0.000 1.129 357 N CA -0.429 52.697 53.050 0.127 0.000 0.836 357 N CB 0.073 38.613 38.487 0.088 0.000 1.040 357 N HN 0.060 nan 8.380 nan 0.000 0.494 358 L N 1.652 123.048 121.223 0.288 0.000 2.289 358 L HA 0.278 4.618 4.340 -0.000 0.000 0.285 358 L C -0.321 176.821 176.870 0.453 0.000 1.049 358 L CA -0.545 54.510 54.840 0.359 0.000 0.804 358 L CB 0.771 43.082 42.059 0.421 0.000 1.195 358 L HN -0.173 nan 8.230 nan 0.000 0.428 359 K N 5.853 126.458 120.400 0.341 0.000 2.297 359 K HA 0.345 4.664 4.320 -0.000 0.000 0.286 359 K C -2.344 174.447 176.600 0.319 0.000 1.053 359 K CA -1.866 54.599 56.287 0.297 0.000 0.940 359 K CB 0.548 33.157 32.500 0.183 0.000 1.019 359 K HN 0.403 nan 8.250 nan 0.000 0.475 360 P HA 0.022 nan 4.420 nan 0.000 0.264 360 P C 0.410 177.623 177.300 -0.144 0.000 1.193 360 P CA 0.336 63.506 63.100 0.118 0.000 0.763 360 P CB 0.546 32.359 31.700 0.188 0.000 0.810 361 G N 1.741 110.243 108.800 -0.497 0.000 4.260 361 G HA2 0.261 4.221 3.960 -0.000 0.000 0.204 361 G HA3 0.261 4.221 3.960 -0.000 0.000 0.204 361 G C 0.381 174.968 174.900 -0.522 0.000 0.952 361 G CA 0.197 45.079 45.100 -0.363 0.000 0.815 361 G HN 0.728 nan 8.290 nan 0.000 0.465 362 G N -0.199 107.972 108.800 -1.048 0.000 2.525 362 G HA2 0.617 4.577 3.960 -0.000 0.000 0.287 362 G HA3 0.617 4.577 3.960 -0.000 0.000 0.287 362 G C -0.888 173.727 174.900 -0.475 0.000 1.350 362 G CA -0.639 43.959 45.100 -0.836 0.000 1.039 362 G HN 0.063 nan 8.290 nan 0.000 0.513 363 F N -1.382 118.421 119.950 -0.245 0.000 2.613 363 F HA 0.695 5.222 4.527 -0.000 0.000 0.314 363 F C 0.593 176.391 175.800 -0.003 0.000 1.075 363 F CA -0.795 57.145 58.000 -0.100 0.000 0.945 363 F CB 1.912 40.898 39.000 -0.024 0.000 1.310 363 F HN 0.651 nan 8.300 nan 0.000 0.467 364 A N 0.770 123.727 122.820 0.228 0.000 2.256 364 A HA 0.534 4.854 4.320 -0.000 0.000 0.318 364 A C 0.118 177.880 177.584 0.296 0.000 1.103 364 A CA -0.282 51.905 52.037 0.250 0.000 0.860 364 A CB 0.250 19.355 19.000 0.176 0.000 1.182 364 A HN 0.802 nan 8.150 nan 0.000 0.501 365 F N 0.097 120.126 119.950 0.133 0.000 2.187 365 F HA -0.008 4.519 4.527 -0.000 0.000 0.295 365 F C 1.616 177.426 175.800 0.017 0.000 1.091 365 F CA 1.568 59.622 58.000 0.090 0.000 1.308 365 F CB 0.025 39.059 39.000 0.056 0.000 1.030 365 F HN 0.635 nan 8.300 nan 0.000 0.487 366 Q N -0.679 119.131 119.800 0.017 0.000 2.298 366 Q HA 0.135 4.475 4.340 -0.000 0.000 0.181 366 Q C 1.038 176.889 176.000 -0.248 0.000 1.004 366 Q CA -0.434 55.206 55.803 -0.272 0.000 1.050 366 Q CB -0.701 27.980 28.738 -0.094 0.000 1.254 366 Q HN 0.166 nan 8.270 nan 0.000 0.531 367 F N 0.807 120.620 119.950 -0.228 0.000 2.022 367 F HA -0.074 4.453 4.527 -0.000 0.000 0.293 367 F C 0.919 176.601 175.800 -0.197 0.000 1.142 367 F CA 1.536 59.389 58.000 -0.244 0.000 1.177 367 F CB -0.180 38.633 39.000 -0.311 0.000 0.982 367 F HN 0.507 nan 8.300 nan 0.000 0.473 368 D N -0.520 119.920 120.400 0.067 0.000 2.446 368 D HA 0.203 4.843 4.640 -0.000 0.000 0.251 368 D C -1.279 174.989 176.300 -0.053 0.000 1.137 368 D CA -0.114 53.860 54.000 -0.043 0.000 0.890 368 D CB -0.043 40.711 40.800 -0.077 0.000 1.071 368 D HN 0.022 nan 8.370 nan 0.000 0.528 369 N N 3.374 122.040 118.700 -0.058 0.000 2.751 369 N HA 0.028 4.768 4.740 -0.000 0.000 0.234 369 N C 0.555 176.017 175.510 -0.080 0.000 1.403 369 N CA -0.384 52.654 53.050 -0.020 0.000 0.747 369 N CB 0.778 39.345 38.487 0.132 0.000 1.326 369 N HN 0.112 nan 8.380 nan 0.000 0.532 370 V N 0.277 120.008 119.914 -0.305 0.000 2.667 370 V HA 0.023 4.143 4.120 -0.000 0.000 0.252 370 V C 1.088 176.949 176.094 -0.389 0.000 1.065 370 V CA 1.201 63.260 62.300 -0.402 0.000 1.083 370 V CB -1.013 30.470 31.823 -0.567 0.000 0.692 370 V HN 0.357 nan 8.190 nan 0.000 0.468 371 Y N -0.478 119.715 120.300 -0.178 0.000 2.546 371 Y HA 0.298 4.847 4.550 -0.000 0.000 0.287 371 Y C 0.699 176.250 175.900 -0.582 0.000 1.158 371 Y CA -0.377 57.455 58.100 -0.446 0.000 1.307 371 Y CB -0.445 37.585 38.460 -0.716 0.000 1.036 371 Y HN 0.397 nan 8.280 nan 0.000 0.532 372 Y N 0.720 121.200 120.300 0.301 0.000 2.470 372 Y HA 0.354 4.904 4.550 -0.000 0.000 0.352 372 Y C -2.536 173.642 175.900 0.464 0.000 0.967 372 Y CA -3.646 54.686 58.100 0.385 0.000 1.121 372 Y CB 0.102 38.696 38.460 0.224 0.000 1.149 372 Y HN -0.097 nan 8.280 nan 0.000 0.641 373 P HA 0.170 nan 4.420 nan 0.000 0.277 373 P C -0.713 176.849 177.300 0.436 0.000 1.240 373 P CA -0.128 63.142 63.100 0.283 0.000 0.798 373 P CB 1.924 33.543 31.700 -0.135 0.000 0.979 374 D N -0.742 119.816 120.400 0.263 0.000 2.433 374 D HA 0.256 4.896 4.640 -0.000 0.000 0.236 374 D C 0.878 177.296 176.300 0.197 0.000 1.026 374 D CA -1.014 53.019 54.000 0.056 0.000 0.884 374 D CB 0.984 41.467 40.800 -0.528 0.000 1.384 374 D HN -0.067 nan 8.370 nan 0.000 0.477 375 V N 0.832 120.837 119.914 0.151 0.000 2.407 375 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 375 V C 1.660 177.773 176.094 0.032 0.000 1.055 375 V CA 1.878 64.257 62.300 0.132 0.000 1.049 375 V CB -0.615 31.214 31.823 0.009 0.000 0.662 375 V HN 0.719 nan 8.190 nan 0.000 0.455 376 D N 0.044 120.420 120.400 -0.040 0.000 2.097 376 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 376 D C 2.024 178.466 176.300 0.237 0.000 0.989 376 D CA 1.353 55.380 54.000 0.045 0.000 0.827 376 D CB -0.178 40.521 40.800 -0.168 0.000 0.966 376 D HN 0.401 nan 8.370 nan 0.000 0.456 377 D N -0.808 119.713 120.400 0.202 0.000 2.117 377 D HA -0.082 4.557 4.640 -0.000 0.000 0.198 377 D C 1.861 178.253 176.300 0.155 0.000 0.982 377 D CA 1.073 55.268 54.000 0.324 0.000 0.828 377 D CB -0.077 40.917 40.800 0.324 0.000 0.967 377 D HN 0.215 nan 8.370 nan 0.000 0.464 378 T N 1.055 115.723 114.554 0.190 0.000 2.759 378 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 378 T C 2.005 176.747 174.700 0.071 0.000 1.042 378 T CA 1.392 63.613 62.100 0.202 0.000 1.140 378 T CB -0.127 68.981 68.868 0.400 0.000 0.864 378 T HN 0.171 nan 8.240 nan 0.000 0.455 379 A N 0.836 123.691 122.820 0.057 0.000 1.897 379 A HA 0.014 4.333 4.320 -0.000 0.000 0.215 379 A C 2.573 180.200 177.584 0.072 0.000 1.181 379 A CA 1.163 53.197 52.037 -0.006 0.000 0.620 379 A CB -0.811 18.121 19.000 -0.114 0.000 0.821 379 A HN 0.362 nan 8.150 nan 0.000 0.443 380 V N -0.382 119.561 119.914 0.049 0.000 2.453 380 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 380 V C 2.527 178.496 176.094 -0.208 0.000 1.048 380 V CA 1.796 64.042 62.300 -0.090 0.000 1.049 380 V CB -0.700 30.977 31.823 -0.243 0.000 0.672 380 V HN 0.344 nan 8.190 nan 0.000 0.457 381 V N -0.346 119.423 119.914 -0.241 0.000 2.358 381 V HA -0.189 3.930 4.120 -0.000 0.000 0.246 381 V C 2.420 178.342 176.094 -0.288 0.000 1.047 381 V CA 1.691 63.751 62.300 -0.401 0.000 1.035 381 V CB -0.317 30.974 31.823 -0.887 0.000 0.658 381 V HN 0.383 nan 8.190 nan 0.000 0.452 382 V N -0.627 119.191 119.914 -0.159 0.000 2.237 382 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 382 V C 2.130 178.344 176.094 0.200 0.000 1.046 382 V CA 2.473 64.833 62.300 0.099 0.000 1.007 382 V CB -0.829 31.149 31.823 0.258 0.000 0.638 382 V HN 0.837 nan 8.190 nan 0.000 0.445 383 W N 1.589 122.864 121.300 -0.042 0.000 2.321 383 W HA -0.250 4.409 4.660 -0.000 0.000 0.306 383 W C 2.387 178.817 176.519 -0.149 0.000 1.217 383 W CA 1.973 59.234 57.345 -0.141 0.000 1.257 383 W CB -0.886 28.468 29.460 -0.177 0.000 1.145 383 W HN 0.223 nan 8.180 nan 0.000 0.509 384 A N 0.399 123.053 122.820 -0.276 0.000 1.972 384 A HA -0.135 4.185 4.320 -0.000 0.000 0.219 384 A C 2.290 179.784 177.584 -0.149 0.000 1.169 384 A CA 1.817 53.619 52.037 -0.391 0.000 0.635 384 A CB -0.888 17.877 19.000 -0.391 0.000 0.810 384 A HN 0.420 nan 8.150 nan 0.000 0.446 385 L N -0.939 120.261 121.223 -0.037 0.000 2.068 385 L HA -0.121 4.219 4.340 -0.000 0.000 0.204 385 L C 2.304 179.220 176.870 0.077 0.000 1.076 385 L CA 1.311 56.176 54.840 0.043 0.000 0.753 385 L CB -0.596 41.523 42.059 0.101 0.000 0.910 385 L HN 0.445 nan 8.230 nan 0.000 0.439 386 N N -0.101 118.664 118.700 0.108 0.000 2.580 386 N HA -0.210 4.530 4.740 -0.000 0.000 0.193 386 N C 1.486 177.017 175.510 0.035 0.000 1.075 386 N CA 1.685 54.777 53.050 0.070 0.000 0.921 386 N CB 0.022 38.369 38.487 -0.234 0.000 0.950 386 N HN 0.449 nan 8.380 nan 0.000 0.449 387 T N -3.552 111.019 114.554 0.030 0.000 3.001 387 T HA 0.232 4.582 4.350 -0.000 0.000 0.251 387 T C 0.612 175.328 174.700 0.026 0.000 1.040 387 T CA -0.321 61.791 62.100 0.021 0.000 0.985 387 T CB -0.006 68.853 68.868 -0.015 0.000 1.011 387 T HN -0.023 nan 8.240 nan 0.000 0.509 388 L N 1.550 122.795 121.223 0.036 0.000 2.379 388 L HA 0.581 4.921 4.340 -0.000 0.000 0.269 388 L C 0.448 177.355 176.870 0.062 0.000 1.084 388 L CA -1.250 53.618 54.840 0.048 0.000 0.802 388 L CB 0.994 43.083 42.059 0.051 0.000 1.175 388 L HN -0.042 nan 8.230 nan 0.000 0.448 389 R N 3.205 123.742 120.500 0.060 0.000 2.247 389 R HA 0.493 4.833 4.340 -0.000 0.000 0.329 389 R C -1.048 175.288 176.300 0.060 0.000 1.014 389 R CA -0.449 55.686 56.100 0.059 0.000 0.907 389 R CB 0.841 31.171 30.300 0.050 0.000 1.146 389 R HN 0.510 nan 8.270 nan 0.000 0.499 390 L N 4.004 125.265 121.223 0.064 0.000 2.322 390 L HA 0.342 4.682 4.340 -0.000 0.000 0.279 390 L C -1.200 175.702 176.870 0.053 0.000 1.036 390 L CA -2.056 52.822 54.840 0.063 0.000 0.807 390 L CB 1.649 43.752 42.059 0.073 0.000 1.226 390 L HN 0.158 nan 8.230 nan 0.000 0.433 391 P HA -0.199 nan 4.420 nan 0.000 0.218 391 P C -0.140 177.181 177.300 0.036 0.000 1.147 391 P CA 1.348 64.471 63.100 0.038 0.000 0.827 391 P CB 0.122 31.844 31.700 0.036 0.000 0.778 392 D N -1.179 119.246 120.400 0.041 0.000 2.607 392 D HA 0.026 4.665 4.640 -0.000 0.000 0.318 392 D C 0.929 177.256 176.300 0.045 0.000 1.212 392 D CA -0.263 53.760 54.000 0.038 0.000 0.861 392 D CB -0.302 40.518 40.800 0.034 0.000 1.064 392 D HN -0.252 nan 8.370 nan 0.000 0.500 393 E N 0.729 120.957 120.200 0.047 0.000 2.370 393 E HA -0.280 4.070 4.350 -0.000 0.000 0.205 393 E C 1.577 178.209 176.600 0.054 0.000 1.037 393 E CA 0.668 57.101 56.400 0.054 0.000 0.845 393 E CB 0.201 29.930 29.700 0.049 0.000 0.753 393 E HN 0.427 nan 8.360 nan 0.000 0.507 394 R N 0.923 121.449 120.500 0.044 0.000 2.055 394 R HA -0.021 4.318 4.340 -0.000 0.000 0.228 394 R C 2.270 178.597 176.300 0.045 0.000 1.143 394 R CA 1.917 58.040 56.100 0.039 0.000 0.945 394 R CB -0.617 29.700 30.300 0.028 0.000 0.841 394 R HN -0.006 nan 8.270 nan 0.000 0.429 395 R N -0.075 120.452 120.500 0.045 0.000 2.120 395 R HA -0.042 4.298 4.340 -0.000 0.000 0.234 395 R C 2.475 178.820 176.300 0.074 0.000 1.123 395 R CA 1.662 57.792 56.100 0.049 0.000 0.975 395 R CB -0.210 30.115 30.300 0.042 0.000 0.866 395 R HN 0.235 nan 8.270 nan 0.000 0.446 396 R N -0.070 120.481 120.500 0.084 0.000 2.092 396 R HA -0.153 4.186 4.340 -0.000 0.000 0.231 396 R C 2.187 178.562 176.300 0.126 0.000 1.119 396 R CA 1.588 57.755 56.100 0.112 0.000 0.970 396 R CB -0.067 30.298 30.300 0.108 0.000 0.864 396 R HN -0.008 nan 8.270 nan 0.000 0.440 397 R N 0.703 121.262 120.500 0.099 0.000 2.073 397 R HA -0.084 4.255 4.340 -0.000 0.000 0.229 397 R C 1.478 177.823 176.300 0.075 0.000 1.120 397 R CA 2.101 58.255 56.100 0.090 0.000 0.967 397 R CB -0.618 29.719 30.300 0.061 0.000 0.862 397 R HN 0.210 nan 8.270 nan 0.000 0.436 398 D N -0.368 120.070 120.400 0.064 0.000 2.081 398 D HA -0.051 4.589 4.640 -0.000 0.000 0.194 398 D C 1.727 178.075 176.300 0.080 0.000 0.986 398 D CA 2.123 56.155 54.000 0.053 0.000 0.837 398 D CB -0.351 40.472 40.800 0.038 0.000 0.985 398 D HN 0.282 nan 8.370 nan 0.000 0.448 399 A N 0.704 123.581 122.820 0.096 0.000 1.863 399 A HA -0.329 3.991 4.320 -0.000 0.000 0.218 399 A C 2.314 180.020 177.584 0.203 0.000 1.233 399 A CA 2.618 54.739 52.037 0.140 0.000 0.655 399 A CB -1.048 18.058 19.000 0.177 0.000 0.839 399 A HN 0.347 nan 8.150 nan 0.000 0.454 400 M N -1.114 118.621 119.600 0.225 0.000 2.146 400 M HA -0.213 4.267 4.480 -0.000 0.000 0.256 400 M C 2.179 178.614 176.300 0.225 0.000 1.075 400 M CA 2.271 57.740 55.300 0.282 0.000 1.082 400 M CB -0.964 31.829 32.600 0.322 0.000 1.355 400 M HN 0.595 nan 8.290 nan 0.000 0.402 401 T N 0.015 114.644 114.554 0.127 0.000 2.812 401 T HA -0.082 4.268 4.350 -0.000 0.000 0.264 401 T C 1.746 176.531 174.700 0.141 0.000 1.042 401 T CA 1.058 63.195 62.100 0.060 0.000 1.140 401 T CB -0.036 68.829 68.868 -0.006 0.000 0.870 401 T HN 0.408 nan 8.240 nan 0.000 0.445 402 K N 0.761 121.247 120.400 0.145 0.000 2.057 402 K HA 0.019 4.339 4.320 -0.000 0.000 0.206 402 K C 2.650 179.396 176.600 0.245 0.000 1.050 402 K CA 1.132 57.511 56.287 0.152 0.000 0.935 402 K CB -0.511 32.033 32.500 0.074 0.000 0.715 402 K HN 0.331 nan 8.250 nan 0.000 0.439 403 G N 1.256 110.225 108.800 0.282 0.000 2.446 403 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 403 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 403 G C 1.335 176.491 174.900 0.427 0.000 1.168 403 G CA 0.630 45.956 45.100 0.376 0.000 0.771 403 G HN 0.177 nan 8.290 nan 0.000 0.551 404 F N 1.699 121.779 119.950 0.218 0.000 2.102 404 F HA 0.045 4.572 4.527 -0.000 0.000 0.298 404 F C 2.876 178.788 175.800 0.187 0.000 1.105 404 F CA 1.266 59.376 58.000 0.183 0.000 1.239 404 F CB -0.244 38.726 39.000 -0.050 0.000 0.991 404 F HN -0.036 nan 8.300 nan 0.000 0.474 405 R N -1.177 119.606 120.500 0.473 0.000 2.091 405 R HA -0.259 4.081 4.340 -0.000 0.000 0.238 405 R C 2.159 178.658 176.300 0.332 0.000 1.136 405 R CA 1.955 58.255 56.100 0.334 0.000 0.959 405 R CB -1.407 29.019 30.300 0.210 0.000 0.856 405 R HN 0.462 nan 8.270 nan 0.000 0.437 406 W N 1.818 123.200 121.300 0.138 0.000 2.353 406 W HA -0.160 4.500 4.660 -0.000 0.000 0.319 406 W C 1.981 178.560 176.519 0.101 0.000 1.207 406 W CA 1.191 58.559 57.345 0.038 0.000 1.291 406 W CB -0.380 29.041 29.460 -0.065 0.000 1.159 406 W HN -0.109 nan 8.180 nan 0.000 0.478 407 I N 0.364 121.076 120.570 0.236 0.000 2.091 407 I HA -0.375 3.795 4.170 -0.000 0.000 0.240 407 I C 2.218 178.506 176.117 0.285 0.000 1.046 407 I CA 1.992 63.346 61.300 0.090 0.000 1.306 407 I CB -1.932 36.093 38.000 0.042 0.000 1.018 407 I HN -0.079 nan 8.210 nan 0.000 0.404 408 V N 1.425 121.567 119.914 0.380 0.000 2.250 408 V HA -0.288 3.832 4.120 -0.000 0.000 0.250 408 V C 2.525 178.743 176.094 0.205 0.000 1.060 408 V CA 2.415 64.976 62.300 0.436 0.000 1.030 408 V CB -1.559 30.522 31.823 0.430 0.000 0.643 408 V HN 0.617 nan 8.190 nan 0.000 0.445 409 G N -1.675 107.165 108.800 0.066 0.000 2.776 409 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.209 409 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.209 409 G C 1.263 176.062 174.900 -0.168 0.000 1.145 409 G CA 0.196 45.273 45.100 -0.038 0.000 0.791 409 G HN 0.337 nan 8.290 nan 0.000 0.530 410 M N -0.129 119.335 119.600 -0.227 0.000 2.509 410 M HA 0.171 4.651 4.480 -0.000 0.000 0.250 410 M C 1.190 177.235 176.300 -0.425 0.000 1.132 410 M CA -0.103 55.005 55.300 -0.320 0.000 1.080 410 M CB -0.405 31.897 32.600 -0.496 0.000 1.408 410 M HN 0.322 nan 8.290 nan 0.000 0.484 411 Q N 1.601 120.981 119.800 -0.701 0.000 2.247 411 Q HA 0.038 4.378 4.340 -0.000 0.000 0.288 411 Q C -0.307 175.226 176.000 -0.779 0.000 1.079 411 Q CA 0.148 55.044 55.803 -1.512 0.000 0.932 411 Q CB 0.778 28.607 28.738 -1.515 0.000 1.133 411 Q HN 0.181 nan 8.270 nan 0.000 0.377 412 S N 2.147 117.434 115.700 -0.687 0.000 2.633 412 S HA 0.032 4.501 4.470 -0.000 0.000 0.257 412 S C 1.263 175.666 174.600 -0.330 0.000 1.265 412 S CA -0.293 57.678 58.200 -0.382 0.000 0.980 412 S CB 0.907 63.937 63.200 -0.283 0.000 1.017 412 S HN 0.834 nan 8.310 nan 0.000 0.577 413 S N 2.551 118.127 115.700 -0.207 0.000 2.389 413 S HA -0.244 4.226 4.470 -0.000 0.000 0.229 413 S C 1.566 176.071 174.600 -0.157 0.000 1.048 413 S CA 2.106 60.216 58.200 -0.149 0.000 1.117 413 S CB -0.943 62.203 63.200 -0.091 0.000 1.020 413 S HN 0.862 nan 8.310 nan 0.000 0.430 414 N N 1.242 119.847 118.700 -0.158 0.000 2.571 414 N HA 0.185 4.925 4.740 -0.000 0.000 0.189 414 N C 0.976 176.387 175.510 -0.164 0.000 1.154 414 N CA 0.915 53.898 53.050 -0.112 0.000 0.907 414 N CB -0.587 37.879 38.487 -0.035 0.000 0.977 414 N HN 0.534 nan 8.380 nan 0.000 0.449 415 G N -2.491 106.124 108.800 -0.308 0.000 2.157 415 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.248 415 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.248 415 G C 0.214 174.829 174.900 -0.474 0.000 0.979 415 G CA -0.047 44.844 45.100 -0.349 0.000 0.650 415 G HN 0.823 nan 8.290 nan 0.000 0.529 416 G N -1.571 106.797 108.800 -0.720 0.000 2.471 416 G HA2 0.564 4.524 3.960 -0.000 0.000 0.332 416 G HA3 0.564 4.524 3.960 -0.000 0.000 0.332 416 G C -0.286 174.305 174.900 -0.516 0.000 1.176 416 G CA -0.884 43.695 45.100 -0.869 0.000 0.949 416 G HN 0.219 nan 8.290 nan 0.000 0.488 417 W N -0.107 120.997 121.300 -0.326 0.000 2.639 417 W HA 0.570 5.230 4.660 -0.000 0.000 0.347 417 W C 0.458 176.916 176.519 -0.101 0.000 1.067 417 W CA -0.533 56.698 57.345 -0.190 0.000 1.218 417 W CB 2.332 31.692 29.460 -0.168 0.000 1.393 417 W HN 0.785 nan 8.180 nan 0.000 0.557 418 G N 0.107 109.016 108.800 0.182 0.000 2.702 418 G HA2 0.506 4.466 3.960 -0.000 0.000 0.254 418 G HA3 0.506 4.466 3.960 -0.000 0.000 0.254 418 G C 0.202 175.220 174.900 0.196 0.000 1.380 418 G CA 0.223 45.444 45.100 0.202 0.000 1.042 418 G HN 0.503 nan 8.290 nan 0.000 0.557 419 A N -1.870 121.074 122.820 0.208 0.000 1.909 419 A HA 0.354 4.674 4.320 -0.000 0.000 0.209 419 A C 1.760 179.250 177.584 -0.157 0.000 1.247 419 A CA 0.950 52.946 52.037 -0.068 0.000 0.660 419 A CB -0.228 18.671 19.000 -0.167 0.000 0.910 419 A HN 0.553 nan 8.150 nan 0.000 0.465 420 Y N -0.535 119.950 120.300 0.308 0.000 2.526 420 Y HA 0.293 4.842 4.550 -0.000 0.000 0.265 420 Y C 0.055 176.174 175.900 0.364 0.000 1.092 420 Y CA -0.498 57.823 58.100 0.368 0.000 1.277 420 Y CB 0.747 39.451 38.460 0.406 0.000 1.228 420 Y HN 0.137 nan 8.280 nan 0.000 0.507 421 D N -0.729 119.917 120.400 0.410 0.000 2.523 421 D HA 0.447 5.087 4.640 -0.000 0.000 0.236 421 D C -1.056 175.349 176.300 0.175 0.000 1.094 421 D CA -0.433 53.757 54.000 0.318 0.000 0.942 421 D CB 3.314 44.297 40.800 0.305 0.000 1.447 421 D HN -0.344 nan 8.370 nan 0.000 0.479 422 V N 1.230 121.223 119.914 0.131 0.000 2.465 422 V HA 0.126 4.246 4.120 -0.000 0.000 0.279 422 V C 0.148 176.260 176.094 0.031 0.000 1.045 422 V CA -0.501 61.815 62.300 0.027 0.000 0.938 422 V CB 0.996 32.816 31.823 -0.003 0.000 0.986 422 V HN 0.590 nan 8.190 nan 0.000 0.467 423 D N 2.759 123.149 120.400 -0.017 0.000 2.702 423 D HA -0.206 4.434 4.640 -0.000 0.000 0.233 423 D C 0.575 176.892 176.300 0.028 0.000 1.164 423 D CA 0.701 54.695 54.000 -0.011 0.000 0.638 423 D CB -0.662 40.125 40.800 -0.022 0.000 1.041 423 D HN 0.767 nan 8.370 nan 0.000 0.422 424 N N 0.718 119.451 118.700 0.055 0.000 3.245 424 N HA 0.013 4.752 4.740 -0.000 0.000 0.296 424 N C 0.800 176.333 175.510 0.038 0.000 1.254 424 N CA 0.441 53.529 53.050 0.063 0.000 1.190 424 N CB 0.199 38.742 38.487 0.093 0.000 1.460 424 N HN 0.235 nan 8.380 nan 0.000 0.538 425 T N -2.818 111.747 114.554 0.018 0.000 3.044 425 T HA 0.067 4.417 4.350 -0.000 0.000 0.260 425 T C 0.845 175.539 174.700 -0.011 0.000 1.019 425 T CA -0.423 61.682 62.100 0.008 0.000 0.921 425 T CB 0.152 69.025 68.868 0.009 0.000 1.053 425 T HN 0.132 nan 8.240 nan 0.000 0.533 426 S N 1.291 116.976 115.700 -0.023 0.000 2.553 426 S HA -0.054 4.416 4.470 -0.000 0.000 0.293 426 S C 0.668 175.231 174.600 -0.062 0.000 1.296 426 S CA 0.327 58.503 58.200 -0.040 0.000 1.046 426 S CB 0.299 63.460 63.200 -0.065 0.000 0.810 426 S HN 0.560 nan 8.310 nan 0.000 0.505 427 D N 2.339 122.719 120.400 -0.032 0.000 2.433 427 D HA 0.178 4.818 4.640 -0.000 0.000 0.211 427 D C 1.534 177.830 176.300 -0.005 0.000 1.114 427 D CA -0.259 53.727 54.000 -0.023 0.000 0.837 427 D CB -0.023 40.808 40.800 0.052 0.000 0.984 427 D HN 0.389 nan 8.370 nan 0.000 0.505 428 L N 1.780 122.990 121.223 -0.021 0.000 1.994 428 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 428 L C -0.666 176.110 176.870 -0.156 0.000 1.071 428 L CA 1.904 56.752 54.840 0.013 0.000 0.745 428 L CB -1.820 40.237 42.059 -0.004 0.000 0.892 428 L HN 0.162 nan 8.230 nan 0.000 0.431 429 P HA -0.170 nan 4.420 nan 0.000 0.219 429 P C 0.903 177.932 177.300 -0.452 0.000 1.146 429 P CA 1.126 63.881 63.100 -0.575 0.000 0.808 429 P CB -0.289 30.730 31.700 -1.135 0.000 0.779 430 N N -0.582 117.837 118.700 -0.469 0.000 2.635 430 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 430 N C 1.235 176.300 175.510 -0.743 0.000 1.155 430 N CA 0.856 53.574 53.050 -0.553 0.000 0.927 430 N CB -0.417 37.714 38.487 -0.594 0.000 0.976 430 N HN 0.489 nan 8.380 nan 0.000 0.448 431 H N -0.492 118.317 119.070 -0.435 0.000 2.874 431 H HA 0.183 4.739 4.556 -0.000 0.000 0.264 431 H C 0.638 175.515 175.328 -0.751 0.000 1.007 431 H CA -0.397 55.278 56.048 -0.622 0.000 1.207 431 H CB 1.056 30.281 29.762 -0.896 0.000 1.487 431 H HN 0.023 nan 8.280 nan 0.000 0.505 432 I N 2.810 123.066 120.570 -0.524 0.000 2.815 432 I HA -0.022 4.148 4.170 -0.000 0.000 0.291 432 I C -1.215 174.855 176.117 -0.077 0.000 1.209 432 I CA -1.873 59.270 61.300 -0.261 0.000 1.431 432 I CB 0.022 37.984 38.000 -0.062 0.000 1.351 432 I HN -0.101 nan 8.210 nan 0.000 0.585 433 P HA -0.194 nan 4.420 nan 0.000 0.216 433 P C 1.861 179.198 177.300 0.062 0.000 1.150 433 P CA 1.345 64.487 63.100 0.069 0.000 0.837 433 P CB 0.020 31.801 31.700 0.135 0.000 0.786 434 F N 0.009 119.932 119.950 -0.046 0.000 2.171 434 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 434 F C 0.776 176.488 175.800 -0.147 0.000 1.090 434 F CA 0.929 58.875 58.000 -0.090 0.000 1.293 434 F CB -0.416 38.543 39.000 -0.069 0.000 1.013 434 F HN -0.204 nan 8.300 nan 0.000 0.486 435 C N 3.172 122.496 119.300 0.041 0.000 2.756 435 C HA 0.113 4.572 4.460 -0.000 0.000 0.504 435 C C 0.852 175.752 174.990 -0.149 0.000 1.028 435 C CA -0.019 58.963 59.018 -0.061 0.000 1.167 435 C CB -2.248 25.496 27.740 0.006 0.000 1.444 435 C HN 0.509 nan 8.230 nan 0.000 0.577 436 D N -0.625 119.645 120.400 -0.217 0.000 2.440 436 D HA 0.078 4.717 4.640 -0.000 0.000 0.216 436 D C -0.184 176.102 176.300 -0.024 0.000 1.150 436 D CA -0.225 53.701 54.000 -0.124 0.000 0.832 436 D CB -0.017 40.712 40.800 -0.119 0.000 0.992 436 D HN 0.369 nan 8.370 nan 0.000 0.502 437 F N 1.296 121.107 119.950 -0.232 0.000 2.553 437 F HA 0.516 5.043 4.527 -0.000 0.000 0.335 437 F C 0.777 176.457 175.800 -0.201 0.000 1.148 437 F CA 0.317 58.231 58.000 -0.143 0.000 0.963 437 F CB 1.240 40.191 39.000 -0.082 0.000 1.217 437 F HN 0.208 nan 8.300 nan 0.000 0.441 438 G N 4.729 113.076 108.800 -0.756 0.000 2.641 438 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.254 438 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.254 438 G C -0.424 174.025 174.900 -0.752 0.000 1.315 438 G CA -0.409 44.148 45.100 -0.904 0.000 0.907 438 G HN 0.706 nan 8.290 nan 0.000 0.572 439 E N -0.949 118.639 120.200 -1.020 0.000 2.392 439 E HA 0.413 4.763 4.350 -0.000 0.000 0.259 439 E C 0.802 177.363 176.600 -0.065 0.000 1.108 439 E CA 0.124 56.309 56.400 -0.359 0.000 0.916 439 E CB 1.622 31.330 29.700 0.013 0.000 0.989 439 E HN 0.567 nan 8.360 nan 0.000 0.432 440 V N 0.325 120.296 119.914 0.095 0.000 3.392 440 V HA 0.014 4.134 4.120 -0.000 0.000 0.294 440 V C 0.081 176.154 176.094 -0.034 0.000 1.561 440 V CA 0.435 62.797 62.300 0.105 0.000 1.056 440 V CB 0.995 32.818 31.823 0.001 0.000 0.882 440 V HN 0.792 nan 8.190 nan 0.000 0.440 441 T N -3.299 111.268 114.554 0.022 0.000 2.887 441 T HA 0.626 4.976 4.350 -0.000 0.000 0.292 441 T C -1.185 173.576 174.700 0.102 0.000 1.087 441 T CA -0.454 61.621 62.100 -0.042 0.000 1.009 441 T CB 2.788 71.620 68.868 -0.059 0.000 1.203 441 T HN -0.052 nan 8.240 nan 0.000 0.518 442 D N 2.223 122.675 120.400 0.087 0.000 2.607 442 D HA 0.386 5.026 4.640 -0.000 0.000 0.318 442 D C -2.447 173.995 176.300 0.237 0.000 1.212 442 D CA -1.912 52.255 54.000 0.278 0.000 0.861 442 D CB 0.738 41.692 40.800 0.256 0.000 1.064 442 D HN 0.329 nan 8.370 nan 0.000 0.500 443 P HA 0.355 nan 4.420 nan 0.000 0.279 443 P C -2.665 174.735 177.300 0.166 0.000 1.252 443 P CA -1.602 61.580 63.100 0.136 0.000 0.811 443 P CB 0.614 32.378 31.700 0.107 0.000 1.035 444 P HA 0.051 nan 4.420 nan 0.000 0.266 444 P C -0.142 177.263 177.300 0.175 0.000 1.195 444 P CA 0.580 63.709 63.100 0.048 0.000 0.768 444 P CB 0.188 31.755 31.700 -0.222 0.000 0.838 445 S N 0.389 116.229 115.700 0.234 0.000 2.599 445 S HA 0.378 4.848 4.470 -0.000 0.000 0.287 445 S C 0.714 175.501 174.600 0.311 0.000 1.105 445 S CA -0.680 57.708 58.200 0.313 0.000 0.899 445 S CB 1.719 65.093 63.200 0.289 0.000 1.100 445 S HN 0.213 nan 8.310 nan 0.000 0.482 446 E N 1.516 121.884 120.200 0.280 0.000 2.085 446 E HA -0.168 4.181 4.350 -0.000 0.000 0.194 446 E C 1.514 178.041 176.600 -0.121 0.000 0.994 446 E CA 1.979 58.442 56.400 0.104 0.000 0.801 446 E CB -0.256 29.457 29.700 0.021 0.000 0.743 446 E HN 0.834 nan 8.360 nan 0.000 0.453 447 D N 0.633 120.928 120.400 -0.175 0.000 2.084 447 D HA -0.136 4.503 4.640 -0.000 0.000 0.196 447 D C 2.011 177.990 176.300 -0.534 0.000 0.985 447 D CA 1.080 54.801 54.000 -0.465 0.000 0.826 447 D CB -0.834 39.697 40.800 -0.447 0.000 0.978 447 D HN 0.149 nan 8.370 nan 0.000 0.456 448 V N 1.175 120.984 119.914 -0.174 0.000 2.282 448 V HA -0.278 3.841 4.120 -0.000 0.000 0.249 448 V C 2.742 178.726 176.094 -0.184 0.000 1.057 448 V CA 2.458 64.694 62.300 -0.108 0.000 1.032 448 V CB -1.167 30.690 31.823 0.056 0.000 0.645 448 V HN 0.319 nan 8.190 nan 0.000 0.447 449 T N 0.349 114.855 114.554 -0.080 0.000 2.720 449 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 449 T C 2.035 176.591 174.700 -0.240 0.000 1.037 449 T CA 1.674 63.740 62.100 -0.056 0.000 1.144 449 T CB -0.464 68.512 68.868 0.180 0.000 0.864 449 T HN 0.599 nan 8.240 nan 0.000 0.444 450 A N 1.032 123.672 122.820 -0.300 0.000 1.930 450 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 450 A C 1.913 179.325 177.584 -0.287 0.000 1.175 450 A CA 1.513 53.342 52.037 -0.347 0.000 0.627 450 A CB -0.879 17.852 19.000 -0.448 0.000 0.815 450 A HN 0.714 nan 8.150 nan 0.000 0.443 451 H N -1.585 117.316 119.070 -0.280 0.000 2.457 451 H HA -0.014 4.542 4.556 -0.000 0.000 0.294 451 H C 2.016 177.097 175.328 -0.411 0.000 1.064 451 H CA 0.635 56.543 56.048 -0.233 0.000 1.330 451 H CB 0.167 29.887 29.762 -0.070 0.000 1.395 451 H HN 0.320 nan 8.280 nan 0.000 0.541 452 V N 0.552 120.160 119.914 -0.509 0.000 2.239 452 V HA -0.222 3.898 4.120 -0.000 0.000 0.242 452 V C 2.169 177.591 176.094 -1.121 0.000 1.038 452 V CA 1.239 62.929 62.300 -1.017 0.000 1.002 452 V CB -0.399 30.457 31.823 -1.610 0.000 0.641 452 V HN 0.215 nan 8.190 nan 0.000 0.449 453 L N 0.291 121.050 121.223 -0.774 0.000 1.997 453 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 453 L C 2.534 179.175 176.870 -0.382 0.000 1.074 453 L CA 2.436 57.019 54.840 -0.428 0.000 0.763 453 L CB -1.104 40.822 42.059 -0.221 0.000 0.890 453 L HN 0.513 nan 8.230 nan 0.000 0.434 454 E N -1.382 118.548 120.200 -0.451 0.000 2.171 454 E HA -0.267 4.083 4.350 -0.000 0.000 0.197 454 E C 2.385 178.442 176.600 -0.904 0.000 0.997 454 E CA 1.641 57.679 56.400 -0.603 0.000 0.810 454 E CB -0.453 28.879 29.700 -0.613 0.000 0.738 454 E HN 0.565 nan 8.360 nan 0.000 0.467 455 C N -0.608 118.224 119.300 -0.779 0.000 2.476 455 C HA -0.014 4.446 4.460 -0.000 0.000 0.278 455 C C 2.249 177.113 174.990 -0.209 0.000 1.274 455 C CA 0.483 59.125 59.018 -0.628 0.000 1.713 455 C CB -1.417 26.077 27.740 -0.411 0.000 2.039 455 C HN 0.508 nan 8.230 nan 0.000 0.484 456 F N 1.997 121.855 119.950 -0.154 0.000 2.134 456 F HA 0.112 4.639 4.527 -0.000 0.000 0.299 456 F C 2.686 178.617 175.800 0.218 0.000 1.097 456 F CA 1.350 59.429 58.000 0.133 0.000 1.264 456 F CB -1.717 37.345 39.000 0.103 0.000 1.001 456 F HN 0.340 nan 8.300 nan 0.000 0.479 457 G N -0.391 108.525 108.800 0.194 0.000 2.485 457 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.221 457 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.221 457 G C 1.798 176.703 174.900 0.009 0.000 1.115 457 G CA 1.429 46.582 45.100 0.088 0.000 0.751 457 G HN 0.481 nan 8.290 nan 0.000 0.567 458 S N 0.202 115.800 115.700 -0.171 0.000 2.383 458 S HA 0.006 4.475 4.470 -0.000 0.000 0.227 458 S C 2.002 176.533 174.600 -0.116 0.000 1.026 458 S CA 0.916 58.965 58.200 -0.250 0.000 0.981 458 S CB -0.504 62.397 63.200 -0.498 0.000 0.818 458 S HN 0.187 nan 8.310 nan 0.000 0.472 459 F N 2.377 122.473 119.950 0.243 0.000 2.502 459 F HA 0.341 4.868 4.527 -0.000 0.000 0.298 459 F C 2.326 178.315 175.800 0.315 0.000 1.111 459 F CA 0.494 58.702 58.000 0.347 0.000 1.445 459 F CB -0.377 38.956 39.000 0.555 0.000 1.081 459 F HN 0.527 nan 8.300 nan 0.000 0.558 460 G N -1.822 107.237 108.800 0.431 0.000 2.612 460 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.200 460 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.200 460 G C -0.113 174.932 174.900 0.242 0.000 1.053 460 G CA -0.546 44.692 45.100 0.231 0.000 0.707 460 G HN 0.071 nan 8.290 nan 0.000 0.497 461 Y N 4.423 124.874 120.300 0.252 0.000 2.831 461 Y HA 0.223 4.772 4.550 -0.000 0.000 0.378 461 Y C 1.337 177.413 175.900 0.295 0.000 1.332 461 Y CA 0.490 58.767 58.100 0.295 0.000 1.693 461 Y CB -0.103 38.639 38.460 0.470 0.000 1.191 461 Y HN 0.533 nan 8.280 nan 0.000 0.516 462 D N 0.924 121.503 120.400 0.298 0.000 2.564 462 D HA 0.055 4.694 4.640 -0.000 0.000 0.273 462 D C 0.810 177.251 176.300 0.235 0.000 1.192 462 D CA -0.417 53.717 54.000 0.224 0.000 1.080 462 D CB 0.653 41.531 40.800 0.129 0.000 1.160 462 D HN 0.415 nan 8.370 nan 0.000 0.607 463 D N -0.453 120.043 120.400 0.159 0.000 2.239 463 D HA -0.189 4.451 4.640 -0.000 0.000 0.202 463 D C 1.868 178.252 176.300 0.140 0.000 0.993 463 D CA 1.809 55.887 54.000 0.130 0.000 0.874 463 D CB -0.371 40.488 40.800 0.098 0.000 0.922 463 D HN 0.463 nan 8.370 nan 0.000 0.464 464 A N -0.012 122.902 122.820 0.157 0.000 1.908 464 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 464 A C 1.045 178.770 177.584 0.234 0.000 1.181 464 A CA 0.874 53.003 52.037 0.154 0.000 0.627 464 A CB -0.993 18.077 19.000 0.117 0.000 0.818 464 A HN 0.476 nan 8.150 nan 0.000 0.445 465 W N 1.932 123.275 121.300 0.073 0.000 2.308 465 W HA 0.242 4.901 4.660 -0.000 0.000 0.324 465 W C 1.249 177.817 176.519 0.082 0.000 1.387 465 W CA -0.672 56.725 57.345 0.087 0.000 1.250 465 W CB 0.498 30.047 29.460 0.149 0.000 1.257 465 W HN 0.370 nan 8.180 nan 0.000 0.554 466 K N 3.473 124.059 120.400 0.310 0.000 2.089 466 K HA -0.254 4.066 4.320 -0.000 0.000 0.210 466 K C 1.472 177.920 176.600 -0.254 0.000 1.048 466 K CA 2.407 58.716 56.287 0.036 0.000 0.926 466 K CB -0.160 32.412 32.500 0.120 0.000 0.714 466 K HN 0.460 nan 8.250 nan 0.000 0.448 467 V N 1.768 121.214 119.914 -0.780 0.000 2.261 467 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 467 V C 2.417 178.209 176.094 -0.503 0.000 1.047 467 V CA 1.746 63.575 62.300 -0.786 0.000 1.015 467 V CB -0.367 30.660 31.823 -1.326 0.000 0.642 467 V HN 0.369 nan 8.190 nan 0.000 0.446 468 I N 0.022 120.235 120.570 -0.595 0.000 2.248 468 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 468 I C 2.635 178.731 176.117 -0.035 0.000 1.107 468 I CA 1.975 63.194 61.300 -0.134 0.000 1.373 468 I CB -1.006 37.023 38.000 0.049 0.000 1.055 468 I HN 0.376 nan 8.210 nan 0.000 0.418 469 R N 1.358 121.827 120.500 -0.052 0.000 2.075 469 R HA -0.117 4.222 4.340 -0.000 0.000 0.232 469 R C 2.436 178.732 176.300 -0.006 0.000 1.126 469 R CA 0.996 57.095 56.100 -0.002 0.000 0.963 469 R CB -0.056 30.251 30.300 0.011 0.000 0.858 469 R HN 0.310 nan 8.270 nan 0.000 0.435 470 R N 0.073 120.545 120.500 -0.046 0.000 2.127 470 R HA -0.093 4.246 4.340 -0.000 0.000 0.238 470 R C 2.255 178.567 176.300 0.020 0.000 1.134 470 R CA 1.314 57.392 56.100 -0.037 0.000 0.975 470 R CB -0.328 29.910 30.300 -0.104 0.000 0.865 470 R HN 0.250 nan 8.270 nan 0.000 0.447 471 A N 0.968 123.818 122.820 0.050 0.000 1.854 471 A HA -0.052 4.267 4.320 -0.000 0.000 0.214 471 A C 2.385 180.076 177.584 0.178 0.000 1.192 471 A CA 1.008 53.145 52.037 0.167 0.000 0.611 471 A CB -0.498 18.654 19.000 0.253 0.000 0.832 471 A HN 0.089 nan 8.150 nan 0.000 0.442 472 V N 0.562 120.535 119.914 0.099 0.000 2.469 472 V HA -0.216 3.904 4.120 -0.000 0.000 0.251 472 V C 2.540 178.670 176.094 0.060 0.000 1.064 472 V CA 2.089 64.434 62.300 0.074 0.000 1.066 472 V CB -0.753 31.111 31.823 0.068 0.000 0.667 472 V HN 0.478 nan 8.190 nan 0.000 0.461 473 E N -0.529 119.706 120.200 0.058 0.000 2.072 473 E HA -0.217 4.133 4.350 -0.000 0.000 0.191 473 E C 2.042 178.676 176.600 0.056 0.000 0.985 473 E CA 1.507 57.927 56.400 0.032 0.000 0.801 473 E CB -0.414 29.305 29.700 0.031 0.000 0.750 473 E HN 0.767 nan 8.360 nan 0.000 0.452 474 Y N 1.410 121.713 120.300 0.005 0.000 2.128 474 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 474 Y C 2.161 178.098 175.900 0.061 0.000 1.154 474 Y CA 1.496 59.608 58.100 0.020 0.000 1.149 474 Y CB -0.469 37.995 38.460 0.007 0.000 0.976 474 Y HN -0.056 nan 8.280 nan 0.000 0.505 475 L N 0.031 121.160 121.223 -0.156 0.000 2.056 475 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 475 L C 2.554 179.497 176.870 0.121 0.000 1.078 475 L CA 1.598 56.333 54.840 -0.176 0.000 0.749 475 L CB -0.559 41.393 42.059 -0.178 0.000 0.901 475 L HN 0.106 nan 8.230 nan 0.000 0.433 476 K N 0.043 120.505 120.400 0.104 0.000 2.063 476 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 476 K C 2.222 178.840 176.600 0.030 0.000 1.048 476 K CA 1.387 57.732 56.287 0.097 0.000 0.928 476 K CB -0.080 32.343 32.500 -0.129 0.000 0.713 476 K HN 0.318 nan 8.250 nan 0.000 0.442 477 R N 0.359 120.837 120.500 -0.037 0.000 2.148 477 R HA -0.051 4.288 4.340 -0.000 0.000 0.223 477 R C 1.788 178.046 176.300 -0.071 0.000 1.088 477 R CA 0.713 56.779 56.100 -0.058 0.000 0.985 477 R CB 0.017 30.286 30.300 -0.052 0.000 0.880 477 R HN 0.167 nan 8.270 nan 0.000 0.451 478 E N 1.177 121.316 120.200 -0.101 0.000 2.230 478 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 478 E C 0.512 177.114 176.600 0.004 0.000 0.987 478 E CA 0.136 56.490 56.400 -0.075 0.000 0.841 478 E CB 0.016 29.585 29.700 -0.217 0.000 0.783 478 E HN 0.314 nan 8.360 nan 0.000 0.481 479 Q N 2.058 121.879 119.800 0.036 0.000 2.368 479 Q HA -0.108 4.232 4.340 -0.000 0.000 0.331 479 Q C -0.260 175.517 176.000 -0.371 0.000 1.086 479 Q CA 0.433 55.934 55.803 -0.503 0.000 1.031 479 Q CB 0.557 28.934 28.738 -0.602 0.000 1.125 479 Q HN -0.288 nan 8.270 nan 0.000 0.389 480 K N 4.775 124.922 120.400 -0.422 0.000 2.180 480 K HA 0.089 4.408 4.320 -0.000 0.000 0.251 480 K C -1.787 174.652 176.600 -0.267 0.000 1.014 480 K CA -1.855 54.280 56.287 -0.254 0.000 0.913 480 K CB -0.075 32.305 32.500 -0.201 0.000 1.008 480 K HN 0.500 nan 8.250 nan 0.000 0.490 481 P HA -0.190 nan 4.420 nan 0.000 0.216 481 P C 0.298 177.522 177.300 -0.127 0.000 1.154 481 P CA 1.512 64.537 63.100 -0.124 0.000 0.865 481 P CB 0.124 31.777 31.700 -0.078 0.000 0.789 482 D N -2.005 118.304 120.400 -0.151 0.000 2.325 482 D HA 0.074 4.714 4.640 -0.000 0.000 0.234 482 D C 1.165 177.333 176.300 -0.220 0.000 1.122 482 D CA 0.523 54.471 54.000 -0.087 0.000 0.850 482 D CB -0.876 39.957 40.800 0.055 0.000 0.921 482 D HN 0.223 nan 8.370 nan 0.000 0.513 483 G N 0.976 109.567 108.800 -0.347 0.000 2.153 483 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 483 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 483 G C 0.352 174.774 174.900 -0.795 0.000 0.994 483 G CA 0.612 45.418 45.100 -0.491 0.000 0.698 483 G HN 0.738 nan 8.290 nan 0.000 0.521 484 S N -0.984 114.178 115.700 -0.895 0.000 2.690 484 S HA 0.804 5.274 4.470 -0.000 0.000 0.291 484 S C -0.355 173.854 174.600 -0.652 0.000 1.138 484 S CA -0.901 56.727 58.200 -0.953 0.000 1.013 484 S CB 1.915 64.293 63.200 -1.371 0.000 1.053 484 S HN 0.473 nan 8.310 nan 0.000 0.539 485 W N 1.511 122.689 121.300 -0.202 0.000 2.538 485 W HA 0.386 5.046 4.660 -0.000 0.000 0.322 485 W C -0.455 176.032 176.519 -0.054 0.000 1.028 485 W CA -1.699 55.596 57.345 -0.083 0.000 1.228 485 W CB 1.375 30.745 29.460 -0.150 0.000 1.356 485 W HN 0.787 nan 8.180 nan 0.000 0.452 486 F N 2.512 122.474 119.950 0.020 0.000 2.628 486 F HA 0.324 4.851 4.527 -0.000 0.000 0.362 486 F C 0.708 176.379 175.800 -0.214 0.000 1.148 486 F CA 0.859 58.657 58.000 -0.338 0.000 1.352 486 F CB 0.639 39.555 39.000 -0.140 0.000 1.081 486 F HN 0.271 nan 8.300 nan 0.000 0.605 487 G N 5.221 113.329 108.800 -1.153 0.000 2.533 487 G HA2 0.397 4.357 3.960 -0.000 0.000 0.310 487 G HA3 0.397 4.357 3.960 -0.000 0.000 0.310 487 G C 0.107 174.467 174.900 -0.900 0.000 1.266 487 G CA -0.697 44.017 45.100 -0.644 0.000 0.967 487 G HN 0.816 nan 8.290 nan 0.000 0.493 488 R N 2.330 122.522 120.500 -0.513 0.000 2.055 488 R HA 0.047 4.387 4.340 -0.000 0.000 0.226 488 R C 0.933 176.891 176.300 -0.570 0.000 1.135 488 R CA 1.284 57.100 56.100 -0.474 0.000 0.959 488 R CB -0.205 29.948 30.300 -0.244 0.000 0.854 488 R HN 0.631 nan 8.270 nan 0.000 0.431 489 W N -0.233 121.040 121.300 -0.045 0.000 3.239 489 W HA 0.514 5.174 4.660 -0.000 0.000 0.368 489 W C 0.029 176.404 176.519 -0.240 0.000 1.154 489 W CA 0.105 57.383 57.345 -0.111 0.000 1.860 489 W CB 0.741 30.142 29.460 -0.099 0.000 1.094 489 W HN 0.211 nan 8.180 nan 0.000 0.643 490 G N -0.129 108.521 108.800 -0.250 0.000 2.746 490 G HA2 0.431 4.391 3.960 -0.000 0.000 0.297 490 G HA3 0.431 4.391 3.960 -0.000 0.000 0.297 490 G C -1.539 173.193 174.900 -0.279 0.000 1.426 490 G CA -0.801 43.800 45.100 -0.832 0.000 0.989 490 G HN -0.237 nan 8.290 nan 0.000 0.520 491 V N 2.735 122.659 119.914 0.018 0.000 2.387 491 V HA 0.333 4.452 4.120 -0.000 0.000 0.260 491 V C 0.446 176.648 176.094 0.179 0.000 1.054 491 V CA -0.119 62.278 62.300 0.161 0.000 0.967 491 V CB 0.519 32.475 31.823 0.222 0.000 1.036 491 V HN 0.854 nan 8.190 nan 0.000 0.481 492 N N 3.526 122.269 118.700 0.071 0.000 2.714 492 N HA 0.058 4.798 4.740 -0.000 0.000 0.312 492 N C 1.056 176.412 175.510 -0.256 0.000 1.297 492 N CA 0.031 52.940 53.050 -0.236 0.000 1.582 492 N CB -0.084 38.066 38.487 -0.561 0.000 0.778 492 N HN 0.291 nan 8.380 nan 0.000 1.341 493 Y N 1.850 122.112 120.300 -0.063 0.000 2.373 493 Y HA 0.292 4.842 4.550 -0.000 0.000 0.293 493 Y C 2.242 178.113 175.900 -0.048 0.000 1.129 493 Y CA 0.678 58.715 58.100 -0.104 0.000 1.226 493 Y CB 0.001 38.365 38.460 -0.159 0.000 1.000 493 Y HN 0.166 nan 8.280 nan 0.000 0.549 494 L N -1.615 119.781 121.223 0.287 0.000 2.156 494 L HA -0.211 4.128 4.340 -0.000 0.000 0.208 494 L C 2.184 179.146 176.870 0.152 0.000 1.095 494 L CA 1.037 56.049 54.840 0.287 0.000 0.770 494 L CB -0.359 41.900 42.059 0.333 0.000 0.914 494 L HN 0.273 nan 8.230 nan 0.000 0.439 495 Y N 0.401 120.636 120.300 -0.110 0.000 2.130 495 Y HA -0.085 4.464 4.550 -0.000 0.000 0.287 495 Y C 2.285 177.898 175.900 -0.478 0.000 1.124 495 Y CA 1.426 59.167 58.100 -0.599 0.000 1.118 495 Y CB -0.875 37.146 38.460 -0.732 0.000 0.994 495 Y HN 0.037 nan 8.280 nan 0.000 0.497 496 G N -0.753 107.804 108.800 -0.404 0.000 2.514 496 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.217 496 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.217 496 G C 1.659 176.400 174.900 -0.265 0.000 1.198 496 G CA 1.817 46.677 45.100 -0.400 0.000 0.780 496 G HN 0.439 nan 8.290 nan 0.000 0.565 497 T N 0.984 115.494 114.554 -0.073 0.000 2.720 497 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 497 T C 2.461 177.115 174.700 -0.076 0.000 1.037 497 T CA 1.567 63.706 62.100 0.066 0.000 1.144 497 T CB -0.620 68.257 68.868 0.014 0.000 0.864 497 T HN 0.388 nan 8.240 nan 0.000 0.444 498 G N 1.113 109.817 108.800 -0.161 0.000 2.421 498 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 498 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 498 G C 1.836 176.582 174.900 -0.256 0.000 1.171 498 G CA 0.941 45.932 45.100 -0.182 0.000 0.775 498 G HN 0.584 nan 8.290 nan 0.000 0.543 499 A N 0.147 122.718 122.820 -0.415 0.000 1.865 499 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 499 A C 2.632 179.990 177.584 -0.377 0.000 1.191 499 A CA 2.101 53.888 52.037 -0.416 0.000 0.623 499 A CB -0.839 17.756 19.000 -0.675 0.000 0.826 499 A HN 0.272 nan 8.150 nan 0.000 0.444 500 V N -0.356 119.270 119.914 -0.480 0.000 2.214 500 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 500 V C 2.543 178.371 176.094 -0.443 0.000 1.047 500 V CA 2.117 64.042 62.300 -0.626 0.000 0.998 500 V CB -1.166 29.891 31.823 -1.276 0.000 0.633 500 V HN 0.351 nan 8.190 nan 0.000 0.446 501 V N 0.089 119.807 119.914 -0.327 0.000 2.370 501 V HA -0.309 3.811 4.120 -0.000 0.000 0.252 501 V C 2.708 178.711 176.094 -0.151 0.000 1.068 501 V CA 2.517 64.714 62.300 -0.172 0.000 1.061 501 V CB -0.841 30.952 31.823 -0.049 0.000 0.656 501 V HN 0.646 nan 8.190 nan 0.000 0.455 502 S N -0.805 114.801 115.700 -0.156 0.000 2.402 502 S HA -0.082 4.387 4.470 -0.000 0.000 0.229 502 S C 1.999 176.513 174.600 -0.144 0.000 1.021 502 S CA 1.375 59.505 58.200 -0.116 0.000 0.974 502 S CB -0.130 63.018 63.200 -0.086 0.000 0.800 502 S HN 0.625 nan 8.310 nan 0.000 0.484 503 A N 1.704 124.405 122.820 -0.197 0.000 1.843 503 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 503 A C 2.117 179.601 177.584 -0.168 0.000 1.202 503 A CA 1.063 52.971 52.037 -0.216 0.000 0.607 503 A CB -1.008 17.837 19.000 -0.258 0.000 0.847 503 A HN 0.520 nan 8.150 nan 0.000 0.445 504 L N -0.295 120.826 121.223 -0.171 0.000 2.103 504 L HA -0.268 4.071 4.340 -0.000 0.000 0.215 504 L C 2.661 179.492 176.870 -0.066 0.000 1.080 504 L CA 1.750 56.528 54.840 -0.103 0.000 0.764 504 L CB -0.468 41.520 42.059 -0.118 0.000 0.890 504 L HN 0.337 nan 8.230 nan 0.000 0.435 505 K N 0.499 120.850 120.400 -0.082 0.000 2.097 505 K HA -0.105 4.215 4.320 -0.000 0.000 0.205 505 K C 2.004 178.577 176.600 -0.045 0.000 1.050 505 K CA 1.571 57.826 56.287 -0.052 0.000 0.938 505 K CB -0.113 32.356 32.500 -0.052 0.000 0.718 505 K HN 0.296 nan 8.250 nan 0.000 0.442 506 A N 0.670 123.444 122.820 -0.078 0.000 2.067 506 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 506 A C 1.641 179.205 177.584 -0.034 0.000 1.156 506 A CA 1.172 53.158 52.037 -0.085 0.000 0.683 506 A CB -0.216 18.675 19.000 -0.183 0.000 0.808 506 A HN 0.148 nan 8.150 nan 0.000 0.455 507 V N -3.606 116.302 119.914 -0.011 0.000 3.252 507 V HA 0.558 4.677 4.120 -0.000 0.000 0.350 507 V C 1.247 177.383 176.094 0.069 0.000 1.329 507 V CA 0.371 62.706 62.300 0.059 0.000 1.258 507 V CB -1.111 30.756 31.823 0.073 0.000 1.208 507 V HN 1.176 nan 8.190 nan 0.000 0.462 508 G N 0.441 109.268 108.800 0.045 0.000 2.328 508 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.256 508 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.256 508 G C 0.288 175.217 174.900 0.049 0.000 1.014 508 G CA 0.359 45.489 45.100 0.049 0.000 0.620 508 G HN 0.505 nan 8.290 nan 0.000 0.530 509 I N 1.523 122.126 120.570 0.055 0.000 3.279 509 I HA 0.022 4.192 4.170 -0.000 0.000 0.294 509 I C 0.715 176.865 176.117 0.054 0.000 1.263 509 I CA 0.403 61.746 61.300 0.072 0.000 1.389 509 I CB 0.029 38.083 38.000 0.090 0.000 1.329 509 I HN 0.279 nan 8.210 nan 0.000 0.594 510 D N 2.005 122.447 120.400 0.071 0.000 2.347 510 D HA 0.109 4.749 4.640 -0.000 0.000 0.235 510 D C 1.313 177.628 176.300 0.025 0.000 1.149 510 D CA -0.166 53.865 54.000 0.051 0.000 0.850 510 D CB 0.808 41.647 40.800 0.065 0.000 1.061 510 D HN 0.650 nan 8.370 nan 0.000 0.487 511 T N 1.421 115.976 114.554 0.002 0.000 2.996 511 T HA -0.220 4.130 4.350 -0.000 0.000 0.271 511 T C 1.660 176.348 174.700 -0.020 0.000 1.126 511 T CA 0.812 62.898 62.100 -0.024 0.000 1.103 511 T CB -0.083 68.777 68.868 -0.013 0.000 0.870 511 T HN 0.391 nan 8.240 nan 0.000 0.528 512 R N 0.641 121.146 120.500 0.008 0.000 2.246 512 R HA 0.074 4.414 4.340 -0.000 0.000 0.199 512 R C 0.370 176.689 176.300 0.032 0.000 0.984 512 R CA -0.006 56.105 56.100 0.020 0.000 1.015 512 R CB 0.033 30.351 30.300 0.031 0.000 0.930 512 R HN 0.439 nan 8.270 nan 0.000 0.475 513 E N 0.876 121.107 120.200 0.052 0.000 2.521 513 E HA -0.135 4.214 4.350 -0.000 0.000 0.270 513 E C -1.875 174.788 176.600 0.105 0.000 1.082 513 E CA -0.571 55.905 56.400 0.127 0.000 0.997 513 E CB 0.278 30.144 29.700 0.277 0.000 0.990 513 E HN 0.148 nan 8.360 nan 0.000 0.458 514 P HA -0.152 nan 4.420 nan 0.000 0.213 514 P C 1.423 178.811 177.300 0.146 0.000 1.170 514 P CA 1.499 64.680 63.100 0.134 0.000 0.889 514 P CB -0.252 31.525 31.700 0.128 0.000 0.782 515 Y N -0.734 119.579 120.300 0.022 0.000 2.241 515 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 515 Y C 1.814 177.739 175.900 0.041 0.000 1.166 515 Y CA 0.719 58.823 58.100 0.006 0.000 1.203 515 Y CB -2.004 36.473 38.460 0.028 0.000 0.977 515 Y HN -0.110 nan 8.280 nan 0.000 0.529 516 I N 0.625 120.881 120.570 -0.522 0.000 2.162 516 I HA -0.217 3.953 4.170 -0.000 0.000 0.238 516 I C 2.454 178.496 176.117 -0.124 0.000 1.076 516 I CA 1.266 62.327 61.300 -0.399 0.000 1.353 516 I CB -1.373 36.400 38.000 -0.378 0.000 1.063 516 I HN 0.302 nan 8.210 nan 0.000 0.408 517 Q N 0.902 120.662 119.800 -0.066 0.000 2.077 517 Q HA -0.263 4.077 4.340 -0.000 0.000 0.206 517 Q C 2.186 178.198 176.000 0.019 0.000 0.989 517 Q CA 1.540 57.342 55.803 -0.002 0.000 0.853 517 Q CB -0.606 28.142 28.738 0.018 0.000 0.907 517 Q HN 0.474 nan 8.270 nan 0.000 0.418 518 K N 0.084 120.490 120.400 0.009 0.000 2.362 518 K HA -0.128 4.192 4.320 -0.000 0.000 0.202 518 K C 1.756 178.365 176.600 0.016 0.000 1.045 518 K CA 0.985 57.282 56.287 0.017 0.000 0.936 518 K CB 0.055 32.552 32.500 -0.005 0.000 0.747 518 K HN 0.187 nan 8.250 nan 0.000 0.467 519 A N 0.431 123.241 122.820 -0.017 0.000 1.871 519 A HA -0.005 4.315 4.320 -0.000 0.000 0.211 519 A C 1.866 179.538 177.584 0.146 0.000 1.207 519 A CA 0.548 52.582 52.037 -0.005 0.000 0.620 519 A CB -0.402 18.597 19.000 -0.003 0.000 0.860 519 A HN 0.200 nan 8.150 nan 0.000 0.450 520 L N 0.560 121.847 121.223 0.108 0.000 2.079 520 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 520 L C 1.958 178.934 176.870 0.176 0.000 1.081 520 L CA 1.911 56.828 54.840 0.129 0.000 0.752 520 L CB -0.745 41.360 42.059 0.077 0.000 0.896 520 L HN 0.287 nan 8.230 nan 0.000 0.433 521 D N -1.349 119.145 120.400 0.157 0.000 2.104 521 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 521 D C 1.859 178.293 176.300 0.224 0.000 0.994 521 D CA 1.178 55.270 54.000 0.154 0.000 0.830 521 D CB -0.383 40.488 40.800 0.118 0.000 0.959 521 D HN 0.464 nan 8.370 nan 0.000 0.452 522 W N 1.263 122.608 121.300 0.076 0.000 2.338 522 W HA -0.239 4.421 4.660 -0.000 0.000 0.304 522 W C 2.091 178.763 176.519 0.255 0.000 1.212 522 W CA 1.399 58.829 57.345 0.142 0.000 1.264 522 W CB -0.222 29.266 29.460 0.047 0.000 1.142 522 W HN -0.211 nan 8.180 nan 0.000 0.512 523 V N 1.069 121.298 119.914 0.526 0.000 2.261 523 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 523 V C 2.221 178.551 176.094 0.393 0.000 1.047 523 V CA 2.429 64.941 62.300 0.353 0.000 1.015 523 V CB -1.140 30.794 31.823 0.185 0.000 0.642 523 V HN 0.197 nan 8.190 nan 0.000 0.446 524 E N -0.153 120.236 120.200 0.315 0.000 2.130 524 E HA -0.317 4.033 4.350 -0.000 0.000 0.196 524 E C 2.228 178.898 176.600 0.117 0.000 0.998 524 E CA 1.488 58.053 56.400 0.276 0.000 0.806 524 E CB -0.232 29.567 29.700 0.164 0.000 0.738 524 E HN 0.669 nan 8.360 nan 0.000 0.459 525 Q N -0.514 119.300 119.800 0.024 0.000 2.439 525 Q HA -0.138 4.201 4.340 -0.000 0.000 0.211 525 Q C 0.772 176.505 176.000 -0.445 0.000 0.978 525 Q CA 0.930 56.611 55.803 -0.204 0.000 0.897 525 Q CB 0.054 28.627 28.738 -0.274 0.000 0.956 525 Q HN 0.420 nan 8.270 nan 0.000 0.483 526 H N -1.501 117.436 119.070 -0.221 0.000 2.893 526 H HA 0.124 4.680 4.556 -0.000 0.000 0.270 526 H C -0.190 174.988 175.328 -0.251 0.000 1.095 526 H CA -0.251 55.649 56.048 -0.247 0.000 1.186 526 H CB 0.499 30.025 29.762 -0.394 0.000 1.562 526 H HN 0.070 nan 8.280 nan 0.000 0.536 527 Q N 2.557 122.165 119.800 -0.321 0.000 2.364 527 Q HA -0.055 4.285 4.340 -0.000 0.000 0.263 527 Q C -0.399 175.201 176.000 -0.667 0.000 1.276 527 Q CA -0.358 54.779 55.803 -1.110 0.000 0.923 527 Q CB 0.003 28.074 28.738 -1.111 0.000 1.477 527 Q HN 0.366 nan 8.270 nan 0.000 0.484 528 N N 5.088 123.476 118.700 -0.521 0.000 2.236 528 N HA -0.105 4.635 4.740 -0.000 0.000 0.238 528 N C -1.574 173.772 175.510 -0.274 0.000 1.244 528 N CA -0.310 52.566 53.050 -0.291 0.000 0.848 528 N CB 0.334 38.706 38.487 -0.191 0.000 1.094 528 N HN 0.520 nan 8.380 nan 0.000 0.448 529 P HA -0.183 nan 4.420 nan 0.000 0.216 529 P C 0.185 177.436 177.300 -0.083 0.000 1.150 529 P CA 1.568 64.594 63.100 -0.124 0.000 0.837 529 P CB -0.009 31.641 31.700 -0.083 0.000 0.786 530 D N -1.374 119.007 120.400 -0.031 0.000 2.407 530 D HA 0.054 4.693 4.640 -0.000 0.000 0.234 530 D C 1.532 177.915 176.300 0.139 0.000 1.029 530 D CA 1.004 55.044 54.000 0.065 0.000 0.937 530 D CB -1.023 39.869 40.800 0.154 0.000 0.882 530 D HN 0.353 nan 8.370 nan 0.000 0.531 531 G N -1.283 107.499 108.800 -0.031 0.000 2.299 531 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.237 531 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.237 531 G C 0.656 175.409 174.900 -0.244 0.000 1.027 531 G CA 0.033 45.088 45.100 -0.076 0.000 0.619 531 G HN 0.855 nan 8.290 nan 0.000 0.513 532 G N -1.601 107.044 108.800 -0.257 0.000 2.557 532 G HA2 0.547 4.506 3.960 -0.000 0.000 0.302 532 G HA3 0.547 4.506 3.960 -0.000 0.000 0.302 532 G C -0.383 174.216 174.900 -0.501 0.000 1.311 532 G CA -0.545 44.184 45.100 -0.618 0.000 1.030 532 G HN 0.277 nan 8.290 nan 0.000 0.509 533 W N -1.327 119.753 121.300 -0.366 0.000 2.799 533 W HA 0.629 5.288 4.660 -0.000 0.000 0.349 533 W C 0.030 176.429 176.519 -0.201 0.000 1.100 533 W CA -0.624 56.600 57.345 -0.202 0.000 1.174 533 W CB 2.472 31.856 29.460 -0.126 0.000 1.427 533 W HN 0.848 nan 8.180 nan 0.000 0.547 534 G N 1.085 109.959 108.800 0.124 0.000 2.720 534 G HA2 0.481 4.441 3.960 -0.000 0.000 0.295 534 G HA3 0.481 4.441 3.960 -0.000 0.000 0.295 534 G C -2.165 172.775 174.900 0.067 0.000 1.437 534 G CA -0.592 44.526 45.100 0.030 0.000 0.886 534 G HN 0.332 nan 8.290 nan 0.000 0.509 535 E N 0.641 120.866 120.200 0.042 0.000 2.294 535 E HA 0.340 4.690 4.350 -0.000 0.000 0.272 535 E C -1.564 175.023 176.600 -0.021 0.000 0.896 535 E CA -0.632 55.809 56.400 0.067 0.000 0.802 535 E CB 2.150 31.933 29.700 0.139 0.000 1.267 535 E HN 0.440 nan 8.360 nan 0.000 0.406 536 D N 2.283 122.646 120.400 -0.062 0.000 2.313 536 D HA 0.094 4.734 4.640 -0.000 0.000 0.247 536 D C 0.549 176.699 176.300 -0.250 0.000 1.094 536 D CA -0.362 53.526 54.000 -0.188 0.000 0.925 536 D CB 0.953 41.573 40.800 -0.299 0.000 1.188 536 D HN 0.498 nan 8.370 nan 0.000 0.430 537 C N 2.173 121.225 119.300 -0.413 0.000 2.421 537 C HA -0.035 4.425 4.460 -0.000 0.000 0.296 537 C C 2.230 176.926 174.990 -0.489 0.000 1.470 537 C CA 0.252 58.854 59.018 -0.694 0.000 1.779 537 C CB -1.304 25.331 27.740 -1.841 0.000 1.715 537 C HN 0.612 nan 8.230 nan 0.000 0.564 538 R N 1.259 121.548 120.500 -0.352 0.000 2.189 538 R HA -0.086 4.254 4.340 -0.000 0.000 0.218 538 R C 2.220 178.526 176.300 0.010 0.000 1.074 538 R CA 1.488 57.484 56.100 -0.173 0.000 0.991 538 R CB -0.299 29.710 30.300 -0.484 0.000 0.883 538 R HN 0.700 nan 8.270 nan 0.000 0.457 539 S N -0.260 115.427 115.700 -0.022 0.000 2.528 539 S HA -0.161 4.309 4.470 -0.000 0.000 0.244 539 S C 1.180 175.817 174.600 0.061 0.000 0.982 539 S CA 0.895 59.149 58.200 0.089 0.000 0.953 539 S CB -0.292 62.950 63.200 0.070 0.000 0.754 539 S HN 0.336 nan 8.310 nan 0.000 0.529 540 Y N 1.225 121.645 120.300 0.199 0.000 2.476 540 Y HA 0.293 4.843 4.550 -0.000 0.000 0.283 540 Y C 2.562 178.592 175.900 0.217 0.000 1.109 540 Y CA 0.323 58.570 58.100 0.245 0.000 1.246 540 Y CB 0.033 38.649 38.460 0.260 0.000 1.068 540 Y HN 0.235 nan 8.280 nan 0.000 0.552 541 E N 0.026 120.419 120.200 0.322 0.000 2.075 541 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 541 E C -0.098 176.633 176.600 0.217 0.000 0.969 541 E CA 0.973 57.525 56.400 0.252 0.000 0.815 541 E CB -0.053 29.787 29.700 0.234 0.000 0.776 541 E HN 0.368 nan 8.360 nan 0.000 0.457 542 D N 0.467 121.009 120.400 0.235 0.000 2.542 542 D HA 0.103 4.743 4.640 -0.000 0.000 0.252 542 D C -1.946 174.491 176.300 0.228 0.000 1.222 542 D CA -1.972 52.159 54.000 0.219 0.000 0.895 542 D CB 1.970 42.909 40.800 0.231 0.000 1.207 542 D HN -0.265 nan 8.370 nan 0.000 0.558 543 P HA -0.281 nan 4.420 nan 0.000 0.218 543 P C 1.211 178.559 177.300 0.080 0.000 1.147 543 P CA 1.288 64.458 63.100 0.117 0.000 0.827 543 P CB 0.113 31.856 31.700 0.071 0.000 0.778 544 A N -1.579 121.268 122.820 0.045 0.000 2.131 544 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 544 A C 1.794 179.286 177.584 -0.153 0.000 1.158 544 A CA 1.156 53.148 52.037 -0.074 0.000 0.665 544 A CB -1.474 17.437 19.000 -0.149 0.000 0.795 544 A HN 0.186 nan 8.150 nan 0.000 0.460 545 Y N -0.720 119.614 120.300 0.056 0.000 2.478 545 Y HA 0.435 4.985 4.550 -0.000 0.000 0.261 545 Y C 1.606 177.547 175.900 0.068 0.000 1.127 545 Y CA -0.339 57.794 58.100 0.055 0.000 1.288 545 Y CB -0.154 38.336 38.460 0.050 0.000 1.084 545 Y HN 0.275 nan 8.280 nan 0.000 0.530 546 A N 0.399 123.338 122.820 0.199 0.000 2.561 546 A HA 0.345 4.665 4.320 -0.000 0.000 0.251 546 A C 1.693 179.352 177.584 0.125 0.000 1.062 546 A CA 1.140 53.277 52.037 0.166 0.000 0.761 546 A CB -1.008 17.921 19.000 -0.119 0.000 0.986 546 A HN 0.933 nan 8.150 nan 0.000 0.510 547 G N 2.122 111.015 108.800 0.155 0.000 2.234 547 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.260 547 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.260 547 G C 0.336 175.306 174.900 0.117 0.000 0.987 547 G CA 0.847 45.909 45.100 -0.063 0.000 0.625 547 G HN 0.848 nan 8.290 nan 0.000 0.532 548 K N 0.498 121.001 120.400 0.172 0.000 2.110 548 K HA 0.632 4.951 4.320 -0.000 0.000 0.263 548 K C 0.407 177.122 176.600 0.192 0.000 0.975 548 K CA 0.212 56.605 56.287 0.177 0.000 0.895 548 K CB 1.722 34.322 32.500 0.167 0.000 1.060 548 K HN 1.186 nan 8.250 nan 0.000 0.448 549 G N 0.300 109.163 108.800 0.105 0.000 2.321 549 G HA2 0.287 4.247 3.960 -0.000 0.000 0.339 549 G HA3 0.287 4.247 3.960 -0.000 0.000 0.339 549 G C -1.266 173.582 174.900 -0.088 0.000 1.518 549 G CA -0.642 44.455 45.100 -0.004 0.000 0.994 549 G HN 0.673 nan 8.290 nan 0.000 0.668 550 A N 0.491 123.182 122.820 -0.215 0.000 2.547 550 A HA 0.566 4.885 4.320 -0.000 0.000 0.233 550 A C 1.118 178.633 177.584 -0.116 0.000 1.067 550 A CA 1.120 53.057 52.037 -0.166 0.000 0.763 550 A CB 0.024 18.870 19.000 -0.256 0.000 1.007 550 A HN 1.778 nan 8.150 nan 0.000 0.506 551 S N 0.477 116.177 115.700 -0.000 0.000 2.548 551 S HA 0.505 4.975 4.470 -0.000 0.000 0.277 551 S C 0.578 175.209 174.600 0.051 0.000 1.315 551 S CA 0.189 58.368 58.200 -0.033 0.000 1.050 551 S CB 0.612 63.749 63.200 -0.106 0.000 0.918 551 S HN 1.049 nan 8.310 nan 0.000 0.497 552 T N 0.769 115.294 114.554 -0.049 0.000 2.908 552 T HA 0.495 4.845 4.350 -0.000 0.000 0.290 552 T C -2.568 172.057 174.700 -0.125 0.000 1.034 552 T CA -2.272 59.839 62.100 0.018 0.000 1.010 552 T CB 1.643 70.515 68.868 0.006 0.000 1.068 552 T HN 0.101 nan 8.240 nan 0.000 0.481 553 P HA -0.114 nan 4.420 nan 0.000 0.217 553 P C 1.851 178.892 177.300 -0.433 0.000 1.150 553 P CA 1.294 64.246 63.100 -0.247 0.000 0.832 553 P CB 0.034 31.556 31.700 -0.297 0.000 0.787 554 S N -0.538 114.892 115.700 -0.451 0.000 2.345 554 S HA -0.182 4.287 4.470 -0.000 0.000 0.219 554 S C 2.049 175.838 174.600 -1.350 0.000 1.031 554 S CA 0.851 58.564 58.200 -0.811 0.000 0.984 554 S CB -1.451 61.328 63.200 -0.702 0.000 0.874 554 S HN 0.157 nan 8.310 nan 0.000 0.451 555 Q N 0.655 119.866 119.800 -0.982 0.000 2.170 555 Q HA -0.049 4.291 4.340 -0.000 0.000 0.203 555 Q C 2.236 178.058 176.000 -0.297 0.000 0.976 555 Q CA 1.661 57.117 55.803 -0.579 0.000 0.858 555 Q CB -0.573 28.060 28.738 -0.174 0.000 0.907 555 Q HN 0.602 nan 8.270 nan 0.000 0.433 556 T N 0.767 115.141 114.554 -0.300 0.000 2.701 556 T HA -0.131 4.219 4.350 -0.000 0.000 0.263 556 T C 1.922 176.493 174.700 -0.216 0.000 1.040 556 T CA 1.233 63.253 62.100 -0.133 0.000 1.147 556 T CB -0.284 68.422 68.868 -0.272 0.000 0.865 556 T HN 0.410 nan 8.240 nan 0.000 0.426 557 A N 0.715 123.339 122.820 -0.327 0.000 1.978 557 A HA -0.117 4.202 4.320 -0.000 0.000 0.220 557 A C 2.074 179.573 177.584 -0.141 0.000 1.170 557 A CA 1.271 53.155 52.037 -0.255 0.000 0.636 557 A CB -0.821 18.012 19.000 -0.278 0.000 0.810 557 A HN 0.582 nan 8.150 nan 0.000 0.448 558 W N -0.573 120.553 121.300 -0.290 0.000 2.407 558 W HA 0.076 4.736 4.660 -0.000 0.000 0.305 558 W C 2.813 179.129 176.519 -0.339 0.000 1.196 558 W CA 0.562 57.721 57.345 -0.310 0.000 1.311 558 W CB -1.321 27.972 29.460 -0.279 0.000 1.135 558 W HN 0.404 nan 8.180 nan 0.000 0.514 559 A N -0.100 122.560 122.820 -0.266 0.000 1.972 559 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 559 A C 2.027 179.228 177.584 -0.638 0.000 1.169 559 A CA 1.297 52.919 52.037 -0.691 0.000 0.635 559 A CB -0.824 17.131 19.000 -1.742 0.000 0.810 559 A HN 0.142 nan 8.150 nan 0.000 0.446 560 L N -0.575 120.365 121.223 -0.472 0.000 2.083 560 L HA -0.089 4.251 4.340 -0.000 0.000 0.209 560 L C 2.571 179.363 176.870 -0.130 0.000 1.083 560 L CA 1.787 56.472 54.840 -0.257 0.000 0.752 560 L CB -0.756 41.209 42.059 -0.155 0.000 0.899 560 L HN 0.438 nan 8.230 nan 0.000 0.433 561 M N -1.967 117.577 119.600 -0.093 0.000 2.200 561 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 561 M C 2.254 178.524 176.300 -0.051 0.000 1.066 561 M CA 1.382 56.661 55.300 -0.035 0.000 1.127 561 M CB -0.514 32.088 32.600 0.004 0.000 1.379 561 M HN 0.265 nan 8.290 nan 0.000 0.420 562 A N 0.836 123.604 122.820 -0.088 0.000 1.933 562 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 562 A C 2.119 179.678 177.584 -0.041 0.000 1.175 562 A CA 1.356 53.352 52.037 -0.068 0.000 0.628 562 A CB -0.760 18.199 19.000 -0.069 0.000 0.814 562 A HN 0.437 nan 8.150 nan 0.000 0.444 563 L N -0.740 120.448 121.223 -0.057 0.000 2.049 563 L HA -0.072 4.268 4.340 -0.000 0.000 0.203 563 L C 2.455 179.342 176.870 0.028 0.000 1.074 563 L CA 1.036 55.874 54.840 -0.003 0.000 0.749 563 L CB -0.550 41.512 42.059 0.005 0.000 0.907 563 L HN 0.326 nan 8.230 nan 0.000 0.439 564 I N 0.313 120.903 120.570 0.034 0.000 2.248 564 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 564 I C 2.793 178.934 176.117 0.039 0.000 1.107 564 I CA 1.257 62.599 61.300 0.070 0.000 1.373 564 I CB -0.538 37.515 38.000 0.088 0.000 1.055 564 I HN 0.245 nan 8.210 nan 0.000 0.418 565 A N 0.955 123.783 122.820 0.013 0.000 1.855 565 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 565 A C 2.302 179.884 177.584 -0.002 0.000 1.191 565 A CA 1.683 53.718 52.037 -0.003 0.000 0.613 565 A CB -1.318 17.666 19.000 -0.027 0.000 0.829 565 A HN 0.448 nan 8.150 nan 0.000 0.442 566 G N -2.036 106.764 108.800 -0.000 0.000 2.990 566 G HA2 0.352 4.312 3.960 -0.000 0.000 0.206 566 G HA3 0.352 4.312 3.960 -0.000 0.000 0.206 566 G C 1.184 176.095 174.900 0.018 0.000 1.169 566 G CA 0.750 45.851 45.100 0.002 0.000 0.819 566 G HN 1.666 nan 8.290 nan 0.000 0.517 567 G N 0.474 109.290 108.800 0.027 0.000 2.336 567 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.233 567 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.233 567 G C 1.143 176.076 174.900 0.054 0.000 1.053 567 G CA 0.170 45.292 45.100 0.036 0.000 0.625 567 G HN 0.545 nan 8.290 nan 0.000 0.511 568 R N 1.314 121.850 120.500 0.061 0.000 2.514 568 R HA 0.401 4.741 4.340 -0.000 0.000 0.216 568 R C 2.427 178.796 176.300 0.115 0.000 1.295 568 R CA 0.589 56.739 56.100 0.082 0.000 1.246 568 R CB -0.310 30.039 30.300 0.082 0.000 1.057 568 R HN 0.542 nan 8.270 nan 0.000 0.490 569 A N 1.268 124.163 122.820 0.125 0.000 1.933 569 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 569 A C 1.309 179.054 177.584 0.268 0.000 1.175 569 A CA 0.879 53.040 52.037 0.207 0.000 0.628 569 A CB -0.001 19.098 19.000 0.164 0.000 0.814 569 A HN 0.360 nan 8.150 nan 0.000 0.444 570 E N 0.442 120.741 120.200 0.165 0.000 2.127 570 E HA 0.381 4.731 4.350 -0.000 0.000 0.262 570 E C -0.395 176.285 176.600 0.133 0.000 1.144 570 E CA -0.230 56.260 56.400 0.151 0.000 1.144 570 E CB -0.032 29.721 29.700 0.087 0.000 1.297 570 E HN 0.386 nan 8.360 nan 0.000 0.469 571 S N 1.435 117.229 115.700 0.157 0.000 2.732 571 S HA 0.232 4.702 4.470 -0.000 0.000 0.293 571 S C 0.576 175.248 174.600 0.119 0.000 1.159 571 S CA -0.601 57.672 58.200 0.122 0.000 0.847 571 S CB 1.578 64.851 63.200 0.121 0.000 1.169 571 S HN 0.382 nan 8.310 nan 0.000 0.501 572 E N 1.388 121.642 120.200 0.091 0.000 2.011 572 E HA 0.215 4.565 4.350 -0.000 0.000 0.191 572 E C 2.075 178.719 176.600 0.073 0.000 0.980 572 E CA 2.007 58.449 56.400 0.070 0.000 0.814 572 E CB -0.905 28.820 29.700 0.042 0.000 0.775 572 E HN 0.673 nan 8.360 nan 0.000 0.454 573 A N 1.107 123.976 122.820 0.082 0.000 1.958 573 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 573 A C 2.408 180.120 177.584 0.215 0.000 1.178 573 A CA 2.713 54.815 52.037 0.107 0.000 0.642 573 A CB -1.217 17.899 19.000 0.194 0.000 0.816 573 A HN 0.406 nan 8.150 nan 0.000 0.453 574 A N -0.635 122.304 122.820 0.199 0.000 1.841 574 A HA -0.146 4.174 4.320 -0.000 0.000 0.214 574 A C 2.278 179.893 177.584 0.052 0.000 1.195 574 A CA 1.745 53.881 52.037 0.165 0.000 0.611 574 A CB -0.521 18.577 19.000 0.163 0.000 0.835 574 A HN 0.538 nan 8.150 nan 0.000 0.443 575 R N -1.035 119.515 120.500 0.083 0.000 2.148 575 R HA -0.055 4.285 4.340 -0.000 0.000 0.227 575 R C 2.326 178.655 176.300 0.048 0.000 1.103 575 R CA 0.779 56.918 56.100 0.065 0.000 0.983 575 R CB -0.165 30.238 30.300 0.172 0.000 0.874 575 R HN 0.349 nan 8.270 nan 0.000 0.451 576 R N -0.392 120.137 120.500 0.049 0.000 2.075 576 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 576 R C 2.174 178.494 176.300 0.033 0.000 1.126 576 R CA 1.524 57.637 56.100 0.022 0.000 0.963 576 R CB -0.663 29.619 30.300 -0.031 0.000 0.858 576 R HN 0.386 nan 8.270 nan 0.000 0.435 577 G N 0.234 109.069 108.800 0.059 0.000 2.418 577 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.217 577 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.217 577 G C 1.500 176.482 174.900 0.136 0.000 1.158 577 G CA 0.701 45.895 45.100 0.156 0.000 0.771 577 G HN 0.170 nan 8.290 nan 0.000 0.545 578 V N 0.469 120.388 119.914 0.008 0.000 2.490 578 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 578 V C 2.744 178.899 176.094 0.103 0.000 1.061 578 V CA 2.051 64.323 62.300 -0.047 0.000 1.064 578 V CB -0.382 31.254 31.823 -0.312 0.000 0.670 578 V HN 0.340 nan 8.190 nan 0.000 0.461 579 Q N -0.119 119.747 119.800 0.110 0.000 2.020 579 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 579 Q C 2.096 178.190 176.000 0.156 0.000 0.982 579 Q CA 2.171 58.048 55.803 0.122 0.000 0.838 579 Q CB -0.775 28.015 28.738 0.086 0.000 0.899 579 Q HN 0.694 nan 8.270 nan 0.000 0.423 580 Y N 0.407 120.739 120.300 0.053 0.000 2.069 580 Y HA -0.298 4.251 4.550 -0.000 0.000 0.278 580 Y C 1.763 177.755 175.900 0.153 0.000 1.175 580 Y CA 2.229 60.371 58.100 0.071 0.000 1.134 580 Y CB -0.518 37.966 38.460 0.039 0.000 0.965 580 Y HN 0.180 nan 8.280 nan 0.000 0.498 581 L N -1.227 120.311 121.223 0.525 0.000 2.017 581 L HA -0.228 4.111 4.340 -0.000 0.000 0.208 581 L C 2.392 179.592 176.870 0.551 0.000 1.073 581 L CA 1.355 56.536 54.840 0.569 0.000 0.745 581 L CB -1.010 41.232 42.059 0.305 0.000 0.894 581 L HN 0.115 nan 8.230 nan 0.000 0.432 582 V N -0.197 119.918 119.914 0.335 0.000 2.407 582 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 582 V C 2.372 178.521 176.094 0.092 0.000 1.055 582 V CA 1.672 64.107 62.300 0.226 0.000 1.049 582 V CB -0.528 31.409 31.823 0.190 0.000 0.662 582 V HN 0.460 nan 8.190 nan 0.000 0.455 583 E N 0.661 120.895 120.200 0.056 0.000 2.005 583 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 583 E C 2.284 178.828 176.600 -0.092 0.000 0.987 583 E CA 1.692 58.070 56.400 -0.037 0.000 0.814 583 E CB -0.604 29.053 29.700 -0.071 0.000 0.772 583 E HN 0.700 nan 8.360 nan 0.000 0.453 584 T N -0.112 114.360 114.554 -0.137 0.000 3.093 584 T HA -0.205 4.145 4.350 -0.000 0.000 0.270 584 T C 1.008 175.627 174.700 -0.136 0.000 1.170 584 T CA 0.575 62.587 62.100 -0.146 0.000 1.072 584 T CB -0.236 68.455 68.868 -0.294 0.000 0.863 584 T HN 0.104 nan 8.240 nan 0.000 0.562 585 Q N 0.788 120.422 119.800 -0.276 0.000 2.700 585 Q HA 0.167 4.507 4.340 -0.000 0.000 0.232 585 Q C -0.003 175.664 176.000 -0.555 0.000 1.110 585 Q CA -0.222 55.048 55.803 -0.889 0.000 1.026 585 Q CB 0.503 28.729 28.738 -0.852 0.000 1.311 585 Q HN 0.466 nan 8.270 nan 0.000 0.583 586 R N 0.636 120.775 120.500 -0.601 0.000 2.873 586 R HA 0.265 4.604 4.340 -0.000 0.000 0.264 586 R C -1.871 174.255 176.300 -0.290 0.000 1.026 586 R CA -2.021 53.869 56.100 -0.349 0.000 1.002 586 R CB 0.954 31.078 30.300 -0.293 0.000 1.174 586 R HN 0.537 nan 8.270 nan 0.000 0.488 587 P HA -0.192 nan 4.420 nan 0.000 0.218 587 P C 0.399 177.616 177.300 -0.138 0.000 1.148 587 P CA 1.316 64.332 63.100 -0.140 0.000 0.822 587 P CB 0.165 31.808 31.700 -0.096 0.000 0.784 588 D N -2.071 118.231 120.400 -0.163 0.000 2.317 588 D HA -0.020 4.620 4.640 -0.000 0.000 0.211 588 D C 1.526 177.711 176.300 -0.191 0.000 0.966 588 D CA 1.358 55.281 54.000 -0.128 0.000 0.876 588 D CB -0.577 40.165 40.800 -0.096 0.000 0.927 588 D HN 0.271 nan 8.370 nan 0.000 0.519 589 G N -0.214 108.378 108.800 -0.348 0.000 2.231 589 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.206 589 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.206 589 G C 0.691 175.206 174.900 -0.642 0.000 0.996 589 G CA 0.174 45.046 45.100 -0.380 0.000 0.645 589 G HN 0.764 nan 8.290 nan 0.000 0.498 590 G N -1.477 106.782 108.800 -0.902 0.000 2.504 590 G HA2 0.486 4.446 3.960 -0.000 0.000 0.257 590 G HA3 0.486 4.446 3.960 -0.000 0.000 0.257 590 G C -0.368 174.329 174.900 -0.337 0.000 1.451 590 G CA -0.146 44.495 45.100 -0.766 0.000 1.059 590 G HN 0.373 nan 8.290 nan 0.000 0.550 591 W N -1.274 120.079 121.300 0.089 0.000 3.296 591 W HA 0.327 4.987 4.660 -0.000 0.000 0.314 591 W C -1.337 175.193 176.519 0.019 0.000 1.238 591 W CA -0.501 56.868 57.345 0.039 0.000 1.193 591 W CB 2.196 31.683 29.460 0.045 0.000 1.383 591 W HN 0.396 nan 8.180 nan 0.000 0.545 592 D N 1.129 121.683 120.400 0.258 0.000 2.326 592 D HA 0.358 4.997 4.640 -0.000 0.000 0.251 592 D C -0.826 175.568 176.300 0.157 0.000 1.023 592 D CA -0.158 53.933 54.000 0.151 0.000 0.966 592 D CB 2.160 43.016 40.800 0.092 0.000 1.156 592 D HN 0.322 nan 8.370 nan 0.000 0.494 593 E N 1.103 121.362 120.200 0.099 0.000 2.683 593 E HA 0.107 4.457 4.350 -0.000 0.000 0.389 593 E C -2.319 174.310 176.600 0.048 0.000 1.040 593 E CA -0.957 55.511 56.400 0.113 0.000 0.739 593 E CB 1.280 31.046 29.700 0.110 0.000 1.597 593 E HN 0.098 nan 8.360 nan 0.000 0.381 594 P HA 0.023 nan 4.420 nan 0.000 0.258 594 P C -0.692 176.294 177.300 -0.522 0.000 1.319 594 P CA 0.312 63.230 63.100 -0.304 0.000 0.785 594 P CB -0.259 31.183 31.700 -0.429 0.000 1.252 595 Y N -1.165 119.198 120.300 0.105 0.000 2.598 595 Y HA 0.428 4.978 4.550 -0.000 0.000 0.340 595 Y C 0.518 176.592 175.900 0.290 0.000 1.038 595 Y CA -1.255 56.915 58.100 0.116 0.000 1.100 595 Y CB 0.694 39.205 38.460 0.085 0.000 1.281 595 Y HN -0.217 nan 8.280 nan 0.000 0.488 596 Y N 0.491 120.950 120.300 0.266 0.000 2.308 596 Y HA 0.278 4.828 4.550 -0.000 0.000 0.329 596 Y C 1.016 177.020 175.900 0.172 0.000 1.111 596 Y CA -1.233 56.976 58.100 0.182 0.000 1.179 596 Y CB 1.391 39.947 38.460 0.160 0.000 1.201 596 Y HN 0.675 nan 8.280 nan 0.000 0.483 597 T N -1.656 113.097 114.554 0.331 0.000 3.043 597 T HA 0.374 4.724 4.350 -0.000 0.000 0.272 597 T C 0.566 175.474 174.700 0.347 0.000 0.990 597 T CA -0.034 62.259 62.100 0.322 0.000 0.897 597 T CB 0.090 69.125 68.868 0.278 0.000 1.111 597 T HN 0.654 nan 8.240 nan 0.000 0.529 598 G N 0.601 109.568 108.800 0.279 0.000 2.389 598 G HA2 0.562 4.522 3.960 -0.000 0.000 0.328 598 G HA3 0.562 4.522 3.960 -0.000 0.000 0.328 598 G C -1.039 173.971 174.900 0.182 0.000 1.133 598 G CA -0.548 44.700 45.100 0.246 0.000 0.891 598 G HN 0.198 nan 8.290 nan 0.000 0.485 599 T N 0.671 115.270 114.554 0.075 0.000 2.812 599 T HA 0.515 4.864 4.350 -0.000 0.000 0.282 599 T C 1.163 175.711 174.700 -0.253 0.000 0.990 599 T CA 0.184 62.215 62.100 -0.114 0.000 0.960 599 T CB 1.832 70.548 68.868 -0.253 0.000 0.948 599 T HN 0.616 nan 8.240 nan 0.000 0.438 600 G N 1.791 110.336 108.800 -0.425 0.000 2.471 600 G HA2 0.289 4.249 3.960 -0.000 0.000 0.211 600 G HA3 0.289 4.249 3.960 -0.000 0.000 0.211 600 G C -0.337 173.928 174.900 -1.057 0.000 1.194 600 G CA 0.357 45.138 45.100 -0.531 0.000 0.816 600 G HN 0.545 nan 8.290 nan 0.000 0.545 601 F N 0.420 120.073 119.950 -0.496 0.000 2.573 601 F HA 0.470 4.997 4.527 -0.000 0.000 0.316 601 F C -2.547 172.836 175.800 -0.695 0.000 1.148 601 F CA -2.926 54.728 58.000 -0.576 0.000 0.940 601 F CB 2.078 40.784 39.000 -0.490 0.000 1.214 601 F HN -0.165 nan 8.300 nan 0.000 0.448 602 P HA 0.154 nan 4.420 nan 0.000 0.264 602 P C 0.845 177.975 177.300 -0.284 0.000 1.183 602 P CA 1.624 64.362 63.100 -0.604 0.000 0.763 602 P CB 0.646 32.243 31.700 -0.172 0.000 0.807 603 G N 2.908 111.641 108.800 -0.112 0.000 2.302 603 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.263 603 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.263 603 G C 0.807 175.751 174.900 0.074 0.000 0.995 603 G CA 0.653 45.837 45.100 0.141 0.000 0.622 603 G HN 0.547 nan 8.290 nan 0.000 0.538 604 D N -1.681 118.612 120.400 -0.178 0.000 2.469 604 D HA 0.297 4.937 4.640 -0.000 0.000 0.240 604 D C -0.193 176.119 176.300 0.019 0.000 1.087 604 D CA 0.205 54.134 54.000 -0.117 0.000 0.876 604 D CB 0.753 41.249 40.800 -0.506 0.000 1.160 604 D HN 0.278 nan 8.370 nan 0.000 0.497 605 F N 1.347 121.007 119.950 -0.484 0.000 2.653 605 F HA 0.328 4.854 4.527 -0.000 0.000 0.327 605 F C -1.755 173.673 175.800 -0.621 0.000 1.195 605 F CA -0.911 56.919 58.000 -0.283 0.000 0.993 605 F CB 0.920 39.839 39.000 -0.135 0.000 1.259 605 F HN -0.313 nan 8.300 nan 0.000 0.478 606 Y N 5.450 125.570 120.300 -0.300 0.000 2.468 606 Y HA 0.767 5.317 4.550 -0.000 0.000 0.342 606 Y C -0.632 175.018 175.900 -0.417 0.000 1.021 606 Y CA -0.994 56.978 58.100 -0.213 0.000 1.079 606 Y CB 1.808 40.319 38.460 0.084 0.000 1.226 606 Y HN 0.392 nan 8.280 nan 0.000 0.460 607 L N 1.245 122.311 121.223 -0.261 0.000 2.341 607 L HA 0.836 5.176 4.340 -0.000 0.000 0.267 607 L C 0.108 176.523 176.870 -0.758 0.000 1.009 607 L CA -1.159 53.338 54.840 -0.573 0.000 0.819 607 L CB 2.290 44.108 42.059 -0.401 0.000 1.323 607 L HN 0.831 nan 8.230 nan 0.000 0.425 608 G N 0.455 108.646 108.800 -1.015 0.000 2.588 608 G HA2 0.484 4.444 3.960 -0.000 0.000 0.312 608 G HA3 0.484 4.444 3.960 -0.000 0.000 0.312 608 G C -1.398 173.286 174.900 -0.360 0.000 1.257 608 G CA -0.186 44.502 45.100 -0.687 0.000 0.994 608 G HN 0.326 nan 8.290 nan 0.000 0.498 609 Y N 2.715 122.793 120.300 -0.371 0.000 2.600 609 Y HA 0.165 4.715 4.550 -0.000 0.000 0.351 609 Y C 2.116 177.893 175.900 -0.204 0.000 1.042 609 Y CA -0.196 57.657 58.100 -0.413 0.000 1.333 609 Y CB 1.022 38.795 38.460 -1.146 0.000 1.172 609 Y HN 0.557 nan 8.280 nan 0.000 0.517 610 T N 2.344 116.900 114.554 0.003 0.000 2.680 610 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 610 T C 1.961 176.729 174.700 0.113 0.000 1.033 610 T CA 1.530 63.662 62.100 0.053 0.000 1.152 610 T CB -0.067 68.824 68.868 0.039 0.000 0.859 610 T HN 0.533 nan 8.240 nan 0.000 0.452 611 M N -0.354 119.367 119.600 0.202 0.000 2.419 611 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 611 M C 1.759 178.220 176.300 0.269 0.000 1.082 611 M CA 0.792 56.247 55.300 0.257 0.000 1.119 611 M CB -0.990 31.745 32.600 0.225 0.000 1.398 611 M HN 0.258 nan 8.290 nan 0.000 0.453 612 Y N 1.682 122.060 120.300 0.130 0.000 2.151 612 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 612 Y C 2.571 178.496 175.900 0.042 0.000 1.166 612 Y CA 1.721 59.938 58.100 0.196 0.000 1.163 612 Y CB -1.149 37.514 38.460 0.337 0.000 0.974 612 Y HN 0.402 nan 8.280 nan 0.000 0.511 613 R N -0.551 119.996 120.500 0.078 0.000 2.152 613 R HA -0.170 4.169 4.340 -0.000 0.000 0.232 613 R C 1.382 177.630 176.300 -0.086 0.000 1.117 613 R CA 1.930 57.968 56.100 -0.103 0.000 0.981 613 R CB -0.681 29.510 30.300 -0.182 0.000 0.870 613 R HN 0.389 nan 8.270 nan 0.000 0.451 614 H N 0.076 119.251 119.070 0.176 0.000 2.406 614 H HA 0.139 4.695 4.556 -0.000 0.000 0.304 614 H C 2.383 177.736 175.328 0.042 0.000 1.042 614 H CA 1.064 57.247 56.048 0.225 0.000 1.360 614 H CB -0.055 29.897 29.762 0.316 0.000 1.448 614 H HN 0.030 nan 8.280 nan 0.000 0.553 615 V N 1.039 120.958 119.914 0.009 0.000 2.323 615 V HA -0.188 3.931 4.120 -0.000 0.000 0.244 615 V C 2.260 178.136 176.094 -0.365 0.000 1.041 615 V CA 1.522 63.657 62.300 -0.276 0.000 1.025 615 V CB -0.785 30.727 31.823 -0.519 0.000 0.656 615 V HN 0.097 nan 8.190 nan 0.000 0.451 616 F N 0.124 119.960 119.950 -0.191 0.000 2.186 616 F HA 0.000 4.527 4.527 -0.000 0.000 0.299 616 F C 0.036 175.654 175.800 -0.303 0.000 1.090 616 F CA 1.140 58.998 58.000 -0.237 0.000 1.307 616 F CB -2.127 36.697 39.000 -0.294 0.000 1.019 616 F HN 0.273 nan 8.300 nan 0.000 0.489 617 P HA -0.105 nan 4.420 nan 0.000 0.217 617 P C 1.654 178.781 177.300 -0.287 0.000 1.150 617 P CA 2.007 64.784 63.100 -0.539 0.000 0.832 617 P CB -0.152 30.695 31.700 -1.422 0.000 0.787 618 T N -0.066 114.392 114.554 -0.159 0.000 2.708 618 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 618 T C 1.689 176.359 174.700 -0.050 0.000 1.037 618 T CA 1.067 63.155 62.100 -0.021 0.000 1.146 618 T CB -0.979 67.888 68.868 -0.002 0.000 0.865 618 T HN 0.026 nan 8.240 nan 0.000 0.435 619 L N 0.925 122.096 121.223 -0.086 0.000 2.131 619 L HA 0.090 4.430 4.340 -0.000 0.000 0.210 619 L C 2.464 179.330 176.870 -0.006 0.000 1.092 619 L CA 1.539 56.342 54.840 -0.061 0.000 0.759 619 L CB -0.640 41.374 42.059 -0.076 0.000 0.903 619 L HN 0.214 nan 8.230 nan 0.000 0.435 620 A N -0.507 122.309 122.820 -0.008 0.000 1.854 620 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 620 A C 2.190 179.765 177.584 -0.015 0.000 1.192 620 A CA 1.602 53.632 52.037 -0.012 0.000 0.611 620 A CB -0.822 18.142 19.000 -0.061 0.000 0.832 620 A HN 0.431 nan 8.150 nan 0.000 0.442 621 L N -0.462 120.740 121.223 -0.034 0.000 2.131 621 L HA -0.143 4.196 4.340 -0.000 0.000 0.210 621 L C 2.766 179.623 176.870 -0.022 0.000 1.092 621 L CA 1.055 55.879 54.840 -0.026 0.000 0.759 621 L CB -0.800 41.273 42.059 0.024 0.000 0.903 621 L HN 0.523 nan 8.230 nan 0.000 0.435 622 G N -0.192 108.603 108.800 -0.008 0.000 2.422 622 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 622 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 622 G C 1.740 176.639 174.900 -0.002 0.000 1.146 622 G CA 0.298 45.393 45.100 -0.008 0.000 0.769 622 G HN 0.314 nan 8.290 nan 0.000 0.547 623 R N -1.410 119.101 120.500 0.018 0.000 2.240 623 R HA 0.091 4.431 4.340 -0.000 0.000 0.203 623 R C 2.033 178.370 176.300 0.063 0.000 1.011 623 R CA 0.398 56.519 56.100 0.036 0.000 1.007 623 R CB -0.186 30.141 30.300 0.046 0.000 0.911 623 R HN 0.497 nan 8.270 nan 0.000 0.468 624 Y N 1.556 121.789 120.300 -0.111 0.000 2.269 624 Y HA -0.024 4.526 4.550 -0.000 0.000 0.294 624 Y C 2.016 177.807 175.900 -0.181 0.000 1.120 624 Y CA 1.070 59.085 58.100 -0.142 0.000 1.159 624 Y CB 0.126 38.460 38.460 -0.211 0.000 1.024 624 Y HN -0.243 nan 8.280 nan 0.000 0.532 625 K N -0.186 120.083 120.400 -0.218 0.000 2.515 625 K HA -0.131 4.189 4.320 -0.000 0.000 0.196 625 K C 1.558 178.108 176.600 -0.084 0.000 1.038 625 K CA 0.875 57.032 56.287 -0.217 0.000 0.967 625 K CB 0.144 32.580 32.500 -0.106 0.000 0.780 625 K HN 0.353 nan 8.250 nan 0.000 0.483 626 Q N -0.600 119.155 119.800 -0.074 0.000 2.226 626 Q HA 0.091 4.430 4.340 -0.000 0.000 0.199 626 Q C 1.706 177.676 176.000 -0.049 0.000 0.945 626 Q CA 0.999 56.782 55.803 -0.033 0.000 0.861 626 Q CB 0.073 28.807 28.738 -0.006 0.000 0.953 626 Q HN 0.334 nan 8.270 nan 0.000 0.490 627 A N 0.287 123.060 122.820 -0.079 0.000 2.263 627 A HA 0.106 4.426 4.320 -0.000 0.000 0.205 627 A C 0.559 178.078 177.584 -0.108 0.000 1.226 627 A CA 0.513 52.505 52.037 -0.074 0.000 0.810 627 A CB -0.329 18.639 19.000 -0.053 0.000 0.784 627 A HN 0.165 nan 8.150 nan 0.000 0.486 628 I N 0.000 120.504 120.570 -0.110 0.000 2.984 628 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 628 I CA 0.000 61.253 61.300 -0.078 0.000 1.566 628 I CB 0.000 37.929 38.000 -0.119 0.000 1.214 628 I HN 0.000 nan 8.210 nan 0.000 0.494