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 1h37_1_B 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 ALGRYKQAIE 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 0.000 177.492 177.584 -0.153 0.000 1.274 10 A CA 0.000 51.915 52.037 -0.204 0.000 0.836 10 A CB 0.000 18.925 19.000 -0.126 0.000 0.831 11 Y N 0.520 120.893 120.300 0.121 0.000 2.421 11 Y HA 0.377 4.927 4.550 0.001 0.000 0.292 11 Y C 2.376 178.350 175.900 0.123 0.000 1.136 11 Y CA 1.046 59.230 58.100 0.142 0.000 1.255 11 Y CB -1.381 37.201 38.460 0.202 0.000 0.991 11 Y HN 0.437 nan 8.280 nan 0.000 0.552 12 A N 1.714 124.530 122.820 -0.007 0.000 1.903 12 A HA -0.298 4.023 4.320 0.001 0.000 0.219 12 A C 2.372 180.023 177.584 0.112 0.000 1.191 12 A CA 2.367 54.480 52.037 0.127 0.000 0.638 12 A CB -0.797 18.175 19.000 -0.047 0.000 0.823 12 A HN 0.558 nan 8.150 nan 0.000 0.451 13 R N -1.320 119.210 120.500 0.050 0.000 2.115 13 R HA -0.060 4.280 4.340 0.001 0.000 0.230 13 R C 2.278 178.616 176.300 0.064 0.000 1.111 13 R CA 1.605 57.730 56.100 0.041 0.000 0.976 13 R CB -0.555 29.750 30.300 0.008 0.000 0.870 13 R HN 0.600 nan 8.270 nan 0.000 0.445 14 T N 1.628 116.250 114.554 0.113 0.000 2.674 14 T HA -0.131 4.219 4.350 0.001 0.000 0.265 14 T C 1.821 176.626 174.700 0.176 0.000 1.039 14 T CA 0.922 63.103 62.100 0.136 0.000 1.150 14 T CB -0.196 68.821 68.868 0.248 0.000 0.864 14 T HN 0.150 nan 8.240 nan 0.000 0.427 15 L N 0.841 122.206 121.223 0.237 0.000 2.046 15 L HA -0.154 4.186 4.340 0.001 0.000 0.208 15 L C 2.435 179.396 176.870 0.152 0.000 1.077 15 L CA 1.551 56.524 54.840 0.222 0.000 0.747 15 L CB -0.374 41.830 42.059 0.242 0.000 0.896 15 L HN 0.241 nan 8.230 nan 0.000 0.432 16 D N -0.459 120.014 120.400 0.121 0.000 2.117 16 D HA -0.189 4.452 4.640 0.001 0.000 0.197 16 D C 2.263 178.604 176.300 0.068 0.000 0.987 16 D CA 1.174 55.224 54.000 0.085 0.000 0.829 16 D CB 0.040 40.879 40.800 0.065 0.000 0.961 16 D HN 0.361 nan 8.370 nan 0.000 0.460 17 R N 0.494 121.024 120.500 0.049 0.000 2.090 17 R HA 0.024 4.365 4.340 0.001 0.000 0.228 17 R C 2.320 178.650 176.300 0.050 0.000 1.110 17 R CA 0.894 57.006 56.100 0.019 0.000 0.973 17 R CB -0.110 30.161 30.300 -0.049 0.000 0.869 17 R HN 0.045 nan 8.270 nan 0.000 0.440 18 A N 0.776 123.643 122.820 0.080 0.000 1.902 18 A HA -0.107 4.214 4.320 0.001 0.000 0.217 18 A C 2.307 180.003 177.584 0.186 0.000 1.181 18 A CA 1.268 53.410 52.037 0.176 0.000 0.623 18 A CB -0.507 18.692 19.000 0.331 0.000 0.818 18 A HN 0.082 nan 8.150 nan 0.000 0.443 19 V N 1.266 121.255 119.914 0.125 0.000 2.220 19 V HA -0.340 3.781 4.120 0.001 0.000 0.246 19 V C 2.602 178.739 176.094 0.072 0.000 1.049 19 V CA 2.470 64.815 62.300 0.076 0.000 1.003 19 V CB -1.202 30.654 31.823 0.055 0.000 0.634 19 V HN 0.920 nan 8.190 nan 0.000 0.444 20 E N -0.327 119.917 120.200 0.074 0.000 2.219 20 E HA -0.333 4.018 4.350 0.001 0.000 0.198 20 E C 2.145 178.782 176.600 0.062 0.000 0.998 20 E CA 2.165 58.600 56.400 0.058 0.000 0.818 20 E CB -0.638 29.094 29.700 0.053 0.000 0.741 20 E HN 0.720 nan 8.360 nan 0.000 0.477 21 Y N 1.585 121.875 120.300 -0.016 0.000 2.109 21 Y HA -0.110 4.440 4.550 0.001 0.000 0.285 21 Y C 2.102 177.992 175.900 -0.018 0.000 1.131 21 Y CA 1.491 59.565 58.100 -0.044 0.000 1.121 21 Y CB -0.371 38.041 38.460 -0.081 0.000 0.987 21 Y HN -0.027 nan 8.280 nan 0.000 0.495 22 L N -0.247 120.955 121.223 -0.035 0.000 1.978 22 L HA -0.332 4.008 4.340 0.001 0.000 0.218 22 L C 2.548 179.479 176.870 0.102 0.000 1.075 22 L CA 1.910 56.719 54.840 -0.051 0.000 0.767 22 L CB -0.877 41.151 42.059 -0.051 0.000 0.890 22 L HN 0.324 nan 8.230 nan 0.000 0.434 23 L N -0.380 120.899 121.223 0.094 0.000 2.197 23 L HA -0.261 4.080 4.340 0.001 0.000 0.215 23 L C 2.751 179.593 176.870 -0.047 0.000 1.095 23 L CA 1.588 56.486 54.840 0.097 0.000 0.764 23 L CB -0.561 41.516 42.059 0.030 0.000 0.897 23 L HN 0.460 nan 8.230 nan 0.000 0.436 24 S N -2.156 113.464 115.700 -0.132 0.000 2.461 24 S HA -0.122 4.349 4.470 0.001 0.000 0.228 24 S C 1.890 176.338 174.600 -0.254 0.000 1.005 24 S CA 0.694 58.776 58.200 -0.197 0.000 0.942 24 S CB -0.593 62.479 63.200 -0.213 0.000 0.776 24 S HN 0.448 nan 8.310 nan 0.000 0.514 25 C N 1.398 120.542 119.300 -0.260 0.000 2.495 25 C HA 0.252 4.712 4.460 0.001 0.000 0.275 25 C C 1.464 176.265 174.990 -0.315 0.000 1.392 25 C CA -0.450 58.437 59.018 -0.218 0.000 1.766 25 C CB -1.509 26.157 27.740 -0.122 0.000 1.933 25 C HN 0.755 nan 8.230 nan 0.000 0.519 26 Q N 1.782 121.261 119.800 -0.535 0.000 2.304 26 Q HA 0.023 4.363 4.340 0.001 0.000 0.301 26 Q C -0.098 175.422 176.000 -0.799 0.000 1.063 26 Q CA 0.719 55.786 55.803 -1.226 0.000 0.947 26 Q CB 0.586 28.553 28.738 -1.284 0.000 1.201 26 Q HN 0.310 nan 8.270 nan 0.000 0.389 27 K N 2.673 122.519 120.400 -0.923 0.000 2.118 27 K HA 0.069 4.389 4.320 0.001 0.000 0.240 27 K C 0.206 176.423 176.600 -0.638 0.000 1.035 27 K CA 0.051 55.890 56.287 -0.747 0.000 0.899 27 K CB 0.460 32.318 32.500 -1.070 0.000 1.085 27 K HN 0.634 nan 8.250 nan 0.000 0.498 28 D N 0.682 120.816 120.400 -0.443 0.000 2.078 28 D HA -0.135 4.506 4.640 0.001 0.000 0.193 28 D C 1.187 177.309 176.300 -0.295 0.000 0.990 28 D CA 1.411 55.229 54.000 -0.304 0.000 0.827 28 D CB -0.029 40.657 40.800 -0.191 0.000 0.975 28 D HN 0.506 nan 8.370 nan 0.000 0.451 29 E N -0.455 119.580 120.200 -0.275 0.000 2.284 29 E HA -0.013 4.337 4.350 0.001 0.000 0.200 29 E C 1.482 177.953 176.600 -0.215 0.000 1.008 29 E CA 1.311 57.641 56.400 -0.118 0.000 0.829 29 E CB -0.311 29.463 29.700 0.124 0.000 0.744 29 E HN 0.414 nan 8.360 nan 0.000 0.491 30 G N -1.254 107.241 108.800 -0.507 0.000 2.168 30 G HA2 -0.227 3.733 3.960 0.001 0.000 0.197 30 G HA3 -0.227 3.733 3.960 0.001 0.000 0.197 30 G C -0.193 174.265 174.900 -0.736 0.000 0.997 30 G CA -0.084 44.703 45.100 -0.521 0.000 0.658 30 G HN 0.318 nan 8.290 nan 0.000 0.513 31 Y N -1.515 118.205 120.300 -0.966 0.000 2.621 31 Y HA 0.876 5.426 4.550 0.001 0.000 0.334 31 Y C -0.047 175.437 175.900 -0.694 0.000 1.074 31 Y CA -2.906 54.606 58.100 -0.980 0.000 1.149 31 Y CB 1.092 38.498 38.460 -1.758 0.000 1.302 31 Y HN 0.069 nan 8.280 nan 0.000 0.501 32 W N 1.369 122.608 121.300 -0.102 0.000 2.570 32 W HA 0.341 5.002 4.660 0.001 0.000 0.337 32 W C -1.679 174.991 176.519 0.251 0.000 1.067 32 W CA -0.834 56.501 57.345 -0.016 0.000 1.229 32 W CB 2.032 31.454 29.460 -0.063 0.000 1.355 32 W HN 0.773 nan 8.180 nan 0.000 0.555 33 W N 2.728 124.149 121.300 0.202 0.000 2.725 33 W HA 0.448 5.109 4.660 0.001 0.000 0.305 33 W C -0.827 175.729 176.519 0.062 0.000 1.045 33 W CA -1.370 56.047 57.345 0.121 0.000 1.202 33 W CB 0.408 29.990 29.460 0.203 0.000 1.083 33 W HN 0.365 nan 8.180 nan 0.000 0.343 34 G N 4.614 113.520 108.800 0.177 0.000 2.377 34 G HA2 0.618 4.579 3.960 0.001 0.000 0.299 34 G HA3 0.618 4.579 3.960 0.001 0.000 0.299 34 G C -2.768 172.023 174.900 -0.181 0.000 1.150 34 G CA -1.338 43.753 45.100 -0.015 0.000 0.847 34 G HN 0.122 nan 8.290 nan 0.000 0.501 35 P HA 0.172 nan 4.420 nan 0.000 0.271 35 P C -0.474 176.699 177.300 -0.211 0.000 1.218 35 P CA -0.479 62.435 63.100 -0.311 0.000 0.780 35 P CB 1.029 32.552 31.700 -0.296 0.000 0.901 36 L N 4.111 125.212 121.223 -0.203 0.000 2.275 36 L HA 0.375 4.715 4.340 0.001 0.000 0.288 36 L C -1.109 175.632 176.870 -0.214 0.000 1.046 36 L CA -0.355 54.330 54.840 -0.259 0.000 0.805 36 L CB 0.394 42.334 42.059 -0.199 0.000 1.193 36 L HN 0.117 nan 8.230 nan 0.000 0.426 37 L N 4.350 125.401 121.223 -0.287 0.000 2.309 37 L HA 0.651 4.992 4.340 0.001 0.000 0.282 37 L C 0.642 177.334 176.870 -0.297 0.000 1.036 37 L CA 0.363 55.079 54.840 -0.206 0.000 0.806 37 L CB 1.335 43.309 42.059 -0.142 0.000 1.220 37 L HN 0.925 nan 8.230 nan 0.000 0.429 38 S N 1.958 117.633 115.700 -0.042 0.000 3.733 38 S HA 0.613 5.084 4.470 0.001 0.000 0.178 38 S C -0.302 174.419 174.600 0.201 0.000 1.032 38 S CA -0.017 58.150 58.200 -0.056 0.000 1.191 38 S CB 0.974 64.140 63.200 -0.056 0.000 1.657 38 S HN 0.650 nan 8.310 nan 0.000 0.863 39 N N -0.499 118.325 118.700 0.206 0.000 2.961 39 N HA 0.329 5.070 4.740 0.001 0.000 0.245 39 N C 0.320 175.952 175.510 0.204 0.000 1.404 39 N CA -0.368 52.822 53.050 0.233 0.000 0.880 39 N CB 1.241 39.863 38.487 0.226 0.000 1.461 39 N HN 0.823 nan 8.380 nan 0.000 0.510 40 V N -2.654 117.341 119.914 0.135 0.000 3.099 40 V HA -0.196 3.925 4.120 0.001 0.000 0.269 40 V C 1.686 177.758 176.094 -0.037 0.000 1.150 40 V CA 2.077 64.415 62.300 0.064 0.000 1.165 40 V CB -2.102 29.577 31.823 -0.240 0.000 0.756 40 V HN 0.914 nan 8.190 nan 0.000 0.527 41 T N -2.966 111.568 114.554 -0.032 0.000 2.915 41 T HA -0.129 4.222 4.350 0.001 0.000 0.269 41 T C 1.823 176.411 174.700 -0.187 0.000 1.071 41 T CA 1.580 63.603 62.100 -0.127 0.000 1.132 41 T CB -0.366 68.450 68.868 -0.087 0.000 0.878 41 T HN 0.375 nan 8.240 nan 0.000 0.479 42 M N 1.617 121.163 119.600 -0.090 0.000 2.066 42 M HA -0.016 4.465 4.480 0.001 0.000 0.259 42 M C 2.321 178.532 176.300 -0.150 0.000 1.074 42 M CA 1.830 57.024 55.300 -0.177 0.000 1.114 42 M CB -1.272 31.327 32.600 -0.003 0.000 1.306 42 M HN 0.269 nan 8.290 nan 0.000 0.411 43 E N 0.795 120.995 120.200 0.001 0.000 2.110 43 E HA -0.076 4.275 4.350 0.001 0.000 0.193 43 E C 2.105 178.756 176.600 0.086 0.000 0.988 43 E CA 1.612 58.078 56.400 0.110 0.000 0.804 43 E CB -0.554 29.248 29.700 0.170 0.000 0.745 43 E HN 0.541 nan 8.360 nan 0.000 0.458 44 A N 0.853 123.644 122.820 -0.047 0.000 1.902 44 A HA -0.223 4.098 4.320 0.001 0.000 0.217 44 A C 2.011 179.429 177.584 -0.275 0.000 1.181 44 A CA 1.625 53.578 52.037 -0.141 0.000 0.623 44 A CB -0.455 18.412 19.000 -0.221 0.000 0.818 44 A HN 0.198 nan 8.150 nan 0.000 0.443 45 E N -1.804 118.127 120.200 -0.447 0.000 2.150 45 E HA -0.179 4.171 4.350 0.001 0.000 0.193 45 E C 1.750 178.103 176.600 -0.412 0.000 0.985 45 E CA 1.217 57.101 56.400 -0.861 0.000 0.814 45 E CB -0.271 28.774 29.700 -1.092 0.000 0.752 45 E HN 0.787 nan 8.360 nan 0.000 0.466 46 Y N 0.708 120.919 120.300 -0.148 0.000 2.181 46 Y HA -0.253 4.297 4.550 0.001 0.000 0.288 46 Y C 1.998 177.870 175.900 -0.046 0.000 1.146 46 Y CA 1.217 59.360 58.100 0.072 0.000 1.164 46 Y CB -0.219 38.297 38.460 0.094 0.000 0.982 46 Y HN -0.164 nan 8.280 nan 0.000 0.515 47 V N 0.589 120.559 119.914 0.094 0.000 2.332 47 V HA -0.339 3.781 4.120 0.001 0.000 0.248 47 V C 2.451 178.423 176.094 -0.205 0.000 1.055 47 V CA 2.103 64.398 62.300 -0.009 0.000 1.038 47 V CB -0.796 31.036 31.823 0.016 0.000 0.651 47 V HN 0.461 nan 8.190 nan 0.000 0.450 48 L N -0.919 120.159 121.223 -0.242 0.000 2.109 48 L HA -0.135 4.206 4.340 0.001 0.000 0.207 48 L C 2.423 179.301 176.870 0.014 0.000 1.086 48 L CA 1.047 55.786 54.840 -0.169 0.000 0.760 48 L CB -0.493 41.471 42.059 -0.160 0.000 0.910 48 L HN 0.348 nan 8.230 nan 0.000 0.437 49 L N -0.465 120.746 121.223 -0.019 0.000 2.046 49 L HA -0.235 4.106 4.340 0.001 0.000 0.208 49 L C 2.514 179.284 176.870 -0.167 0.000 1.077 49 L CA 1.812 56.657 54.840 0.008 0.000 0.747 49 L CB -0.652 41.312 42.059 -0.158 0.000 0.896 49 L HN 0.229 nan 8.230 nan 0.000 0.432 50 C N -0.691 118.452 119.300 -0.262 0.000 2.425 50 C HA -0.172 4.289 4.460 0.001 0.000 0.277 50 C C 2.710 177.626 174.990 -0.125 0.000 1.280 50 C CA 1.006 59.904 59.018 -0.201 0.000 1.744 50 C CB -1.393 26.241 27.740 -0.177 0.000 1.989 50 C HN 0.820 nan 8.230 nan 0.000 0.491 51 H N 0.985 119.934 119.070 -0.201 0.000 2.326 51 H HA -0.068 4.488 4.556 0.001 0.000 0.301 51 H C 1.977 177.213 175.328 -0.152 0.000 1.081 51 H CA 1.822 57.778 56.048 -0.154 0.000 1.334 51 H CB -0.259 29.300 29.762 -0.338 0.000 1.385 51 H HN 0.243 nan 8.280 nan 0.000 0.504 52 I N 0.715 121.059 120.570 -0.377 0.000 2.127 52 I HA -0.247 3.924 4.170 0.001 0.000 0.241 52 I C 2.161 177.887 176.117 -0.653 0.000 1.075 52 I CA 1.256 62.153 61.300 -0.671 0.000 1.334 52 I CB -1.152 36.543 38.000 -0.507 0.000 1.040 52 I HN 0.357 nan 8.210 nan 0.000 0.405 53 L N 0.440 121.414 121.223 -0.416 0.000 2.610 53 L HA -0.066 4.274 4.340 0.001 0.000 0.232 53 L C 0.323 177.000 176.870 -0.321 0.000 1.149 53 L CA 0.236 54.865 54.840 -0.352 0.000 0.872 53 L CB -0.817 41.032 42.059 -0.350 0.000 0.992 53 L HN 0.304 nan 8.230 nan 0.000 0.447 54 D N 1.713 121.937 120.400 -0.293 0.000 2.686 54 D HA -0.230 4.410 4.640 0.001 0.000 0.235 54 D C 0.224 176.432 176.300 -0.153 0.000 1.160 54 D CA 0.719 54.606 54.000 -0.187 0.000 0.645 54 D CB -0.319 40.388 40.800 -0.156 0.000 1.039 54 D HN 0.362 nan 8.370 nan 0.000 0.423 55 R N -0.027 120.377 120.500 -0.162 0.000 2.738 55 R HA 0.313 4.654 4.340 0.001 0.000 0.280 55 R C -0.784 175.525 176.300 0.015 0.000 1.456 55 R CA -0.656 55.372 56.100 -0.121 0.000 1.612 55 R CB 1.228 31.320 30.300 -0.348 0.000 1.286 55 R HN -0.030 nan 8.270 nan 0.000 0.660 56 V N 1.255 121.199 119.914 0.050 0.000 2.406 56 V HA 0.111 4.232 4.120 0.001 0.000 0.272 56 V C 0.009 176.155 176.094 0.087 0.000 1.043 56 V CA -0.477 61.883 62.300 0.101 0.000 0.915 56 V CB 1.540 33.462 31.823 0.165 0.000 0.988 56 V HN 0.334 nan 8.190 nan 0.000 0.466 57 D N 4.552 125.002 120.400 0.084 0.000 2.454 57 D HA 0.286 4.927 4.640 0.001 0.000 0.225 57 D C 1.298 177.618 176.300 0.034 0.000 1.081 57 D CA -0.541 53.490 54.000 0.052 0.000 0.864 57 D CB 0.806 41.628 40.800 0.036 0.000 1.040 57 D HN 0.221 nan 8.370 nan 0.000 0.517 58 R N 2.514 123.034 120.500 0.034 0.000 2.134 58 R HA -0.198 4.143 4.340 0.001 0.000 0.248 58 R C 1.309 177.617 176.300 0.014 0.000 1.143 58 R CA 1.342 57.457 56.100 0.026 0.000 0.957 58 R CB -0.512 29.800 30.300 0.019 0.000 0.867 58 R HN 0.667 nan 8.270 nan 0.000 0.441 59 D N 0.050 120.451 120.400 0.001 0.000 2.123 59 D HA -0.194 4.447 4.640 0.001 0.000 0.196 59 D C 1.934 178.211 176.300 -0.039 0.000 0.992 59 D CA 1.176 55.169 54.000 -0.012 0.000 0.833 59 D CB 0.119 40.909 40.800 -0.016 0.000 0.954 59 D HN 0.006 nan 8.370 nan 0.000 0.455 60 R N 0.092 120.543 120.500 -0.081 0.000 2.075 60 R HA -0.059 4.282 4.340 0.001 0.000 0.232 60 R C 2.406 178.647 176.300 -0.098 0.000 1.126 60 R CA 1.090 57.077 56.100 -0.189 0.000 0.963 60 R CB -0.584 29.547 30.300 -0.282 0.000 0.858 60 R HN 0.151 nan 8.270 nan 0.000 0.435 61 M N 0.812 120.408 119.600 -0.007 0.000 2.144 61 M HA -0.166 4.315 4.480 0.001 0.000 0.260 61 M C 1.799 178.141 176.300 0.071 0.000 1.067 61 M CA 1.589 56.925 55.300 0.061 0.000 1.095 61 M CB -0.910 31.742 32.600 0.086 0.000 1.365 61 M HN 0.150 nan 8.290 nan 0.000 0.406 62 E N 0.799 121.029 120.200 0.050 0.000 2.017 62 E HA -0.152 4.199 4.350 0.001 0.000 0.193 62 E C 2.009 178.669 176.600 0.101 0.000 0.997 62 E CA 1.297 57.738 56.400 0.068 0.000 0.804 62 E CB -0.302 29.427 29.700 0.047 0.000 0.757 62 E HN 0.518 nan 8.360 nan 0.000 0.448 63 K N 0.325 120.772 120.400 0.079 0.000 2.152 63 K HA -0.073 4.248 4.320 0.001 0.000 0.206 63 K C 2.247 178.983 176.600 0.226 0.000 1.048 63 K CA 0.887 57.253 56.287 0.132 0.000 0.933 63 K CB -0.124 32.433 32.500 0.095 0.000 0.721 63 K HN 0.146 nan 8.250 nan 0.000 0.447 64 I N 0.349 121.037 120.570 0.197 0.000 2.439 64 I HA -0.205 3.965 4.170 0.001 0.000 0.251 64 I C 2.599 178.898 176.117 0.304 0.000 1.139 64 I CA 0.794 62.265 61.300 0.285 0.000 1.438 64 I CB -0.119 38.009 38.000 0.214 0.000 1.085 64 I HN 0.164 nan 8.210 nan 0.000 0.427 65 R N 1.085 121.720 120.500 0.225 0.000 2.073 65 R HA -0.088 4.253 4.340 0.001 0.000 0.229 65 R C 2.459 178.906 176.300 0.245 0.000 1.120 65 R CA 0.988 57.212 56.100 0.206 0.000 0.967 65 R CB 0.015 30.402 30.300 0.144 0.000 0.862 65 R HN 0.242 nan 8.270 nan 0.000 0.436 66 R N -0.671 119.987 120.500 0.263 0.000 2.083 66 R HA -0.215 4.126 4.340 0.001 0.000 0.237 66 R C 2.252 178.807 176.300 0.424 0.000 1.137 66 R CA 1.898 58.180 56.100 0.303 0.000 0.951 66 R CB -0.718 29.774 30.300 0.321 0.000 0.851 66 R HN 0.317 nan 8.270 nan 0.000 0.434 67 Y N 1.866 122.393 120.300 0.377 0.000 2.128 67 Y HA -0.218 4.333 4.550 0.001 0.000 0.284 67 Y C 2.074 178.200 175.900 0.377 0.000 1.154 67 Y CA 1.489 59.849 58.100 0.434 0.000 1.149 67 Y CB -0.439 38.206 38.460 0.307 0.000 0.976 67 Y HN -0.056 nan 8.280 nan 0.000 0.505 68 L N -0.772 120.624 121.223 0.288 0.000 1.989 68 L HA -0.286 4.055 4.340 0.001 0.000 0.211 68 L C 2.446 179.543 176.870 0.378 0.000 1.071 68 L CA 1.050 56.023 54.840 0.221 0.000 0.749 68 L CB -0.787 41.403 42.059 0.218 0.000 0.890 68 L HN 0.302 nan 8.230 nan 0.000 0.431 69 L N -0.546 120.851 121.223 0.290 0.000 1.994 69 L HA -0.276 4.064 4.340 0.001 0.000 0.208 69 L C 2.587 179.492 176.870 0.058 0.000 1.071 69 L CA 2.024 56.975 54.840 0.186 0.000 0.745 69 L CB -1.622 40.514 42.059 0.129 0.000 0.892 69 L HN 0.374 nan 8.230 nan 0.000 0.431 70 H N 0.083 119.127 119.070 -0.044 0.000 2.431 70 H HA -0.171 4.385 4.556 0.001 0.000 0.297 70 H C 1.937 177.157 175.328 -0.181 0.000 1.115 70 H CA 1.852 57.787 56.048 -0.188 0.000 1.277 70 H CB 0.341 29.897 29.762 -0.344 0.000 1.372 70 H HN 0.271 nan 8.280 nan 0.000 0.516 71 E N 0.356 120.470 120.200 -0.143 0.000 2.299 71 E HA -0.065 4.286 4.350 0.001 0.000 0.193 71 E C 0.594 177.051 176.600 -0.239 0.000 0.998 71 E CA 0.122 56.430 56.400 -0.154 0.000 0.851 71 E CB -0.109 29.556 29.700 -0.058 0.000 0.795 71 E HN 0.657 nan 8.360 nan 0.000 0.492 72 Q N 1.393 120.939 119.800 -0.423 0.000 2.361 72 Q HA 0.052 4.392 4.340 0.001 0.000 0.276 72 Q C -0.417 175.185 176.000 -0.664 0.000 1.022 72 Q CA 0.136 55.258 55.803 -1.134 0.000 0.898 72 Q CB 0.594 28.654 28.738 -1.130 0.000 1.246 72 Q HN -0.138 nan 8.270 nan 0.000 0.410 73 R N 1.695 121.812 120.500 -0.638 0.000 2.608 73 R HA 0.143 4.484 4.340 0.001 0.000 0.255 73 R C 1.205 177.298 176.300 -0.345 0.000 1.086 73 R CA -0.537 55.315 56.100 -0.413 0.000 1.125 73 R CB 0.319 30.410 30.300 -0.349 0.000 1.193 73 R HN 0.684 nan 8.270 nan 0.000 0.553 74 E N 1.100 121.148 120.200 -0.254 0.000 2.086 74 E HA -0.265 4.085 4.350 0.001 0.000 0.200 74 E C 1.022 177.507 176.600 -0.191 0.000 1.012 74 E CA 2.340 58.623 56.400 -0.195 0.000 0.812 74 E CB -0.129 29.481 29.700 -0.151 0.000 0.743 74 E HN 0.663 nan 8.360 nan 0.000 0.453 75 D N -1.285 118.989 120.400 -0.211 0.000 2.350 75 D HA -0.022 4.619 4.640 0.001 0.000 0.216 75 D C 1.258 177.426 176.300 -0.220 0.000 0.968 75 D CA 1.011 54.895 54.000 -0.193 0.000 0.894 75 D CB -0.131 40.543 40.800 -0.211 0.000 0.909 75 D HN 0.280 nan 8.370 nan 0.000 0.520 76 G N -0.503 108.111 108.800 -0.309 0.000 2.141 76 G HA2 -0.223 3.737 3.960 0.001 0.000 0.231 76 G HA3 -0.223 3.737 3.960 0.001 0.000 0.231 76 G C 0.412 175.025 174.900 -0.478 0.000 0.984 76 G CA 0.487 45.374 45.100 -0.355 0.000 0.660 76 G HN 0.821 nan 8.290 nan 0.000 0.525 77 T N -3.179 111.058 114.554 -0.528 0.000 2.870 77 T HA 0.780 5.131 4.350 0.001 0.000 0.277 77 T C -0.337 174.070 174.700 -0.488 0.000 1.000 77 T CA -0.891 60.953 62.100 -0.427 0.000 0.982 77 T CB 2.297 70.829 68.868 -0.560 0.000 1.249 77 T HN 0.517 nan 8.240 nan 0.000 0.589 78 W N -0.358 120.854 121.300 -0.147 0.000 3.032 78 W HA 0.675 5.335 4.660 0.001 0.000 0.335 78 W C -0.287 176.166 176.519 -0.111 0.000 1.154 78 W CA -1.164 56.113 57.345 -0.113 0.000 1.204 78 W CB 2.405 31.838 29.460 -0.045 0.000 1.416 78 W HN 1.088 nan 8.180 nan 0.000 0.521 79 A N 1.629 124.502 122.820 0.089 0.000 2.347 79 A HA 0.688 5.009 4.320 0.001 0.000 0.301 79 A C 0.428 178.047 177.584 0.059 0.000 1.163 79 A CA -0.549 51.476 52.037 -0.020 0.000 0.860 79 A CB 1.203 20.049 19.000 -0.256 0.000 1.367 79 A HN 0.679 nan 8.150 nan 0.000 0.461 80 L N -1.025 120.258 121.223 0.100 0.000 2.095 80 L HA 0.080 4.420 4.340 0.001 0.000 0.204 80 L C 0.401 177.468 176.870 0.328 0.000 1.080 80 L CA 0.996 56.032 54.840 0.326 0.000 0.759 80 L CB -0.569 41.849 42.059 0.600 0.000 0.914 80 L HN 0.790 nan 8.230 nan 0.000 0.439 81 Y N -1.995 118.290 120.300 -0.024 0.000 2.598 81 Y HA 0.645 5.196 4.550 0.001 0.000 0.340 81 Y C -2.744 172.924 175.900 -0.387 0.000 1.038 81 Y CA -4.297 53.584 58.100 -0.365 0.000 1.100 81 Y CB -0.810 37.474 38.460 -0.294 0.000 1.281 81 Y HN -0.232 nan 8.280 nan 0.000 0.488 82 P HA 0.200 nan 4.420 nan 0.000 0.271 82 P C 0.513 177.719 177.300 -0.156 0.000 1.226 82 P CA 1.105 64.018 63.100 -0.311 0.000 0.765 82 P CB 0.980 32.488 31.700 -0.319 0.000 0.835 83 G N 2.091 110.769 108.800 -0.203 0.000 2.137 83 G HA2 -0.113 3.847 3.960 0.001 0.000 0.237 83 G HA3 -0.113 3.847 3.960 0.001 0.000 0.237 83 G C 0.370 175.102 174.900 -0.280 0.000 1.002 83 G CA -0.256 44.764 45.100 -0.133 0.000 0.702 83 G HN 0.898 nan 8.290 nan 0.000 0.515 84 G N -0.243 108.188 108.800 -0.615 0.000 2.461 84 G HA2 0.823 4.784 3.960 0.001 0.000 0.329 84 G HA3 0.823 4.784 3.960 0.001 0.000 0.329 84 G C -1.677 172.942 174.900 -0.468 0.000 1.170 84 G CA -0.888 43.631 45.100 -0.968 0.000 0.935 84 G HN 0.236 nan 8.290 nan 0.000 0.492 85 P HA 0.174 nan 4.420 nan 0.000 0.270 85 P C -2.524 174.694 177.300 -0.137 0.000 1.223 85 P CA -0.874 62.147 63.100 -0.131 0.000 0.785 85 P CB 0.401 32.100 31.700 -0.001 0.000 0.923 86 P HA 0.043 nan 4.420 nan 0.000 0.268 86 P C -0.457 176.871 177.300 0.047 0.000 1.205 86 P CA 0.461 63.398 63.100 -0.272 0.000 0.771 86 P CB 0.656 31.815 31.700 -0.900 0.000 0.858 87 D N 2.579 123.065 120.400 0.144 0.000 2.256 87 D HA 0.085 4.725 4.640 0.001 0.000 0.240 87 D C 0.919 177.463 176.300 0.407 0.000 1.062 87 D CA -0.609 53.560 54.000 0.282 0.000 0.832 87 D CB 1.641 42.585 40.800 0.240 0.000 1.135 87 D HN 0.055 nan 8.370 nan 0.000 0.484 88 L N 4.775 126.226 121.223 0.381 0.000 1.976 88 L HA -0.121 4.219 4.340 0.001 0.000 0.209 88 L C 1.557 178.531 176.870 0.173 0.000 1.071 88 L CA 1.862 56.861 54.840 0.264 0.000 0.746 88 L CB -0.463 41.631 42.059 0.058 0.000 0.890 88 L HN 0.451 nan 8.230 nan 0.000 0.432 89 D N -0.870 119.608 120.400 0.129 0.000 2.103 89 D HA -0.220 4.420 4.640 0.001 0.000 0.190 89 D C 1.938 178.276 176.300 0.063 0.000 0.997 89 D CA 2.309 56.351 54.000 0.069 0.000 0.833 89 D CB -0.631 40.208 40.800 0.065 0.000 0.961 89 D HN 0.401 nan 8.370 nan 0.000 0.447 90 T N 0.617 115.237 114.554 0.110 0.000 2.737 90 T HA -0.122 4.228 4.350 0.001 0.000 0.269 90 T C 2.045 176.754 174.700 0.015 0.000 1.040 90 T CA 1.729 63.867 62.100 0.063 0.000 1.142 90 T CB -0.425 68.530 68.868 0.145 0.000 0.861 90 T HN 0.178 nan 8.240 nan 0.000 0.456 91 T N 1.639 116.307 114.554 0.189 0.000 2.896 91 T HA 0.185 4.535 4.350 0.001 0.000 0.263 91 T C 2.003 176.814 174.700 0.185 0.000 1.050 91 T CA 0.474 62.770 62.100 0.326 0.000 1.140 91 T CB -0.251 68.946 68.868 0.548 0.000 0.877 91 T HN 0.316 nan 8.240 nan 0.000 0.457 92 I N 1.121 121.762 120.570 0.119 0.000 2.179 92 I HA -0.177 3.994 4.170 0.001 0.000 0.242 92 I C 2.635 178.781 176.117 0.049 0.000 1.088 92 I CA 1.489 62.832 61.300 0.072 0.000 1.357 92 I CB -0.340 37.658 38.000 -0.003 0.000 1.051 92 I HN 0.302 nan 8.210 nan 0.000 0.409 93 E N 0.764 120.937 120.200 -0.045 0.000 2.077 93 E HA -0.221 4.129 4.350 0.001 0.000 0.193 93 E C 2.306 178.799 176.600 -0.179 0.000 0.989 93 E CA 1.308 57.636 56.400 -0.120 0.000 0.800 93 E CB -0.166 29.424 29.700 -0.183 0.000 0.746 93 E HN 0.519 nan 8.360 nan 0.000 0.452 94 A N 0.594 123.220 122.820 -0.323 0.000 1.898 94 A HA -0.212 4.109 4.320 0.001 0.000 0.216 94 A C 2.004 179.446 177.584 -0.235 0.000 1.181 94 A CA 1.306 53.010 52.037 -0.556 0.000 0.620 94 A CB -0.767 17.257 19.000 -1.628 0.000 0.819 94 A HN 0.409 nan 8.150 nan 0.000 0.442 95 Y N 0.959 121.177 120.300 -0.135 0.000 2.097 95 Y HA -0.243 4.307 4.550 0.001 0.000 0.282 95 Y C 2.339 178.258 175.900 0.031 0.000 1.152 95 Y CA 2.295 60.427 58.100 0.053 0.000 1.136 95 Y CB -0.396 38.127 38.460 0.104 0.000 0.975 95 Y HN 0.077 nan 8.280 nan 0.000 0.498 96 V N 0.524 120.485 119.914 0.079 0.000 2.343 96 V HA -0.310 3.810 4.120 0.001 0.000 0.247 96 V C 2.692 178.762 176.094 -0.040 0.000 1.051 96 V CA 1.676 63.983 62.300 0.012 0.000 1.036 96 V CB -1.780 30.080 31.823 0.062 0.000 0.654 96 V HN 0.573 nan 8.190 nan 0.000 0.451 97 A N 0.145 122.929 122.820 -0.060 0.000 1.865 97 A HA -0.192 4.129 4.320 0.001 0.000 0.217 97 A C 2.262 179.860 177.584 0.024 0.000 1.191 97 A CA 2.078 54.094 52.037 -0.034 0.000 0.623 97 A CB -0.634 18.319 19.000 -0.078 0.000 0.826 97 A HN 0.486 nan 8.150 nan 0.000 0.444 98 L N -0.848 120.358 121.223 -0.027 0.000 2.017 98 L HA -0.221 4.119 4.340 0.001 0.000 0.208 98 L C 2.665 179.508 176.870 -0.046 0.000 1.073 98 L CA 2.040 56.877 54.840 -0.006 0.000 0.745 98 L CB -0.443 41.620 42.059 0.007 0.000 0.894 98 L HN 0.468 nan 8.230 nan 0.000 0.432 99 K N -0.633 119.673 120.400 -0.156 0.000 2.113 99 K HA -0.282 4.038 4.320 0.001 0.000 0.208 99 K C 2.218 178.793 176.600 -0.041 0.000 1.047 99 K CA 1.767 57.962 56.287 -0.153 0.000 0.928 99 K CB -0.271 32.072 32.500 -0.261 0.000 0.716 99 K HN 0.222 nan 8.250 nan 0.000 0.446 100 Y N 0.879 121.122 120.300 -0.095 0.000 2.263 100 Y HA -0.086 4.465 4.550 0.001 0.000 0.292 100 Y C 1.612 177.489 175.900 -0.037 0.000 1.130 100 Y CA 1.472 59.531 58.100 -0.069 0.000 1.179 100 Y CB 0.071 38.483 38.460 -0.080 0.000 0.998 100 Y HN 0.006 nan 8.280 nan 0.000 0.532 101 I N -0.812 119.803 120.570 0.074 0.000 2.493 101 I HA -0.120 4.051 4.170 0.001 0.000 0.254 101 I C 2.007 178.092 176.117 -0.053 0.000 1.160 101 I CA 1.588 62.904 61.300 0.027 0.000 1.445 101 I CB -0.388 37.669 38.000 0.095 0.000 1.086 101 I HN 0.506 nan 8.210 nan 0.000 0.433 102 G N -0.862 107.902 108.800 -0.059 0.000 3.465 102 G HA2 -0.057 3.903 3.960 0.001 0.000 0.219 102 G HA3 -0.057 3.903 3.960 0.001 0.000 0.219 102 G C 0.397 175.276 174.900 -0.036 0.000 0.984 102 G CA -0.640 44.426 45.100 -0.055 0.000 0.864 102 G HN -0.046 nan 8.290 nan 0.000 0.485 103 M N 2.878 122.463 119.600 -0.026 0.000 2.251 103 M HA 0.313 4.793 4.480 0.001 0.000 0.343 103 M C 0.957 177.235 176.300 -0.037 0.000 1.245 103 M CA 0.465 55.752 55.300 -0.022 0.000 1.061 103 M CB 0.480 33.067 32.600 -0.021 0.000 1.723 103 M HN 0.535 nan 8.290 nan 0.000 0.449 104 S N 2.953 118.646 115.700 -0.012 0.000 2.585 104 S HA 0.421 4.891 4.470 0.001 0.000 0.277 104 S C 0.904 175.517 174.600 0.021 0.000 1.241 104 S CA -1.024 57.176 58.200 0.001 0.000 1.041 104 S CB 1.258 64.466 63.200 0.013 0.000 0.987 104 S HN 0.783 nan 8.310 nan 0.000 0.512 105 R N 0.812 121.341 120.500 0.048 0.000 2.355 105 R HA -0.084 4.256 4.340 0.001 0.000 0.219 105 R C 0.098 176.469 176.300 0.117 0.000 1.107 105 R CA 1.379 57.553 56.100 0.122 0.000 1.021 105 R CB -0.576 29.828 30.300 0.173 0.000 0.852 105 R HN 0.590 nan 8.270 nan 0.000 0.475 106 D N 1.560 122.004 120.400 0.075 0.000 2.144 106 D HA -0.059 4.581 4.640 0.001 0.000 0.207 106 D C 0.062 176.397 176.300 0.058 0.000 0.970 106 D CA 0.486 54.524 54.000 0.063 0.000 0.853 106 D CB -0.238 40.589 40.800 0.045 0.000 1.007 106 D HN 0.360 nan 8.370 nan 0.000 0.469 107 E N 1.608 121.837 120.200 0.049 0.000 2.760 107 E HA -0.150 4.201 4.350 0.001 0.000 0.268 107 E C 0.914 177.543 176.600 0.048 0.000 0.935 107 E CA 0.122 56.547 56.400 0.042 0.000 0.960 107 E CB 0.785 30.507 29.700 0.037 0.000 0.931 107 E HN 0.162 nan 8.360 nan 0.000 0.483 108 E N 4.075 124.294 120.200 0.031 0.000 2.095 108 E HA -0.249 4.102 4.350 0.001 0.000 0.212 108 E C -0.924 175.690 176.600 0.024 0.000 1.044 108 E CA 2.468 58.880 56.400 0.021 0.000 0.857 108 E CB -0.687 29.014 29.700 0.001 0.000 0.764 108 E HN 0.415 nan 8.360 nan 0.000 0.462 109 P HA -0.191 nan 4.420 nan 0.000 0.215 109 P C 1.321 178.680 177.300 0.098 0.000 1.157 109 P CA 1.830 64.941 63.100 0.018 0.000 0.874 109 P CB -0.046 31.669 31.700 0.025 0.000 0.790 110 M N -1.304 118.385 119.600 0.147 0.000 2.159 110 M HA -0.138 4.343 4.480 0.001 0.000 0.263 110 M C 2.030 178.499 176.300 0.282 0.000 1.063 110 M CA 1.637 57.104 55.300 0.278 0.000 1.110 110 M CB -1.651 31.068 32.600 0.199 0.000 1.374 110 M HN 0.037 nan 8.290 nan 0.000 0.411 111 Q N 0.850 120.744 119.800 0.156 0.000 2.020 111 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 111 Q C 2.078 178.128 176.000 0.085 0.000 0.982 111 Q CA 1.475 57.344 55.803 0.109 0.000 0.838 111 Q CB -0.374 28.404 28.738 0.068 0.000 0.899 111 Q HN 0.562 nan 8.270 nan 0.000 0.423 112 K N 0.322 120.758 120.400 0.060 0.000 2.057 112 K HA -0.099 4.222 4.320 0.001 0.000 0.207 112 K C 2.140 178.781 176.600 0.069 0.000 1.049 112 K CA 1.204 57.510 56.287 0.032 0.000 0.931 112 K CB -0.216 32.267 32.500 -0.029 0.000 0.714 112 K HN 0.132 nan 8.250 nan 0.000 0.440 113 A N 1.943 124.829 122.820 0.110 0.000 1.858 113 A HA -0.173 4.148 4.320 0.001 0.000 0.216 113 A C 2.186 179.840 177.584 0.116 0.000 1.190 113 A CA 1.225 53.376 52.037 0.190 0.000 0.617 113 A CB -0.840 18.385 19.000 0.376 0.000 0.827 113 A HN 0.242 nan 8.150 nan 0.000 0.443 114 L N -0.762 120.465 121.223 0.008 0.000 2.021 114 L HA -0.291 4.050 4.340 0.001 0.000 0.215 114 L C 2.955 179.791 176.870 -0.056 0.000 1.074 114 L CA 1.658 56.404 54.840 -0.156 0.000 0.760 114 L CB -0.345 41.661 42.059 -0.089 0.000 0.889 114 L HN 0.409 nan 8.230 nan 0.000 0.433 115 R N -0.717 119.797 120.500 0.022 0.000 2.103 115 R HA -0.259 4.081 4.340 0.001 0.000 0.234 115 R C 2.172 178.505 176.300 0.056 0.000 1.132 115 R CA 2.148 58.270 56.100 0.036 0.000 0.925 115 R CB -1.384 28.951 30.300 0.060 0.000 0.842 115 R HN 0.328 nan 8.270 nan 0.000 0.430 116 F N 1.841 121.774 119.950 -0.028 0.000 2.120 116 F HA -0.199 4.329 4.527 0.001 0.000 0.300 116 F C 2.235 178.022 175.800 -0.022 0.000 1.095 116 F CA 1.330 59.320 58.000 -0.017 0.000 1.249 116 F CB -0.348 38.649 39.000 -0.005 0.000 0.995 116 F HN -0.058 nan 8.300 nan 0.000 0.480 117 I N 0.023 120.505 120.570 -0.147 0.000 2.226 117 I HA -0.321 3.849 4.170 0.001 0.000 0.245 117 I C 2.409 178.368 176.117 -0.263 0.000 1.100 117 I CA 1.497 62.636 61.300 -0.269 0.000 1.374 117 I CB -0.671 37.220 38.000 -0.182 0.000 1.057 117 I HN 0.267 nan 8.210 nan 0.000 0.413 118 Q N 0.479 120.174 119.800 -0.176 0.000 2.079 118 Q HA -0.167 4.173 4.340 0.001 0.000 0.200 118 Q C 2.248 178.171 176.000 -0.128 0.000 0.974 118 Q CA 1.930 57.657 55.803 -0.126 0.000 0.840 118 Q CB -0.319 28.375 28.738 -0.075 0.000 0.898 118 Q HN 0.577 nan 8.270 nan 0.000 0.430 119 S N 0.284 115.902 115.700 -0.137 0.000 2.584 119 S HA -0.085 4.386 4.470 0.001 0.000 0.240 119 S C 1.414 175.911 174.600 -0.171 0.000 0.975 119 S CA 0.654 58.785 58.200 -0.114 0.000 0.949 119 S CB 0.098 63.262 63.200 -0.061 0.000 0.761 119 S HN 0.225 nan 8.310 nan 0.000 0.536 120 Q N -0.112 119.535 119.800 -0.255 0.000 2.217 120 Q HA 0.319 4.660 4.340 0.001 0.000 0.217 120 Q C 1.297 177.209 176.000 -0.147 0.000 0.844 120 Q CA 0.636 56.288 55.803 -0.252 0.000 0.957 120 Q CB 0.833 29.305 28.738 -0.443 0.000 1.127 120 Q HN 0.742 nan 8.270 nan 0.000 0.503 121 G N -0.006 108.727 108.800 -0.113 0.000 2.179 121 G HA2 -0.120 3.841 3.960 0.001 0.000 0.220 121 G HA3 -0.120 3.841 3.960 0.001 0.000 0.220 121 G C 0.629 175.489 174.900 -0.066 0.000 0.990 121 G CA 0.133 45.195 45.100 -0.063 0.000 0.646 121 G HN 0.734 nan 8.290 nan 0.000 0.517 122 G N -0.362 108.368 108.800 -0.116 0.000 2.598 122 G HA2 -0.141 3.819 3.960 0.001 0.000 0.244 122 G HA3 -0.141 3.819 3.960 0.001 0.000 0.244 122 G C 1.055 175.862 174.900 -0.156 0.000 1.302 122 G CA 0.361 45.378 45.100 -0.138 0.000 0.903 122 G HN 1.347 nan 8.290 nan 0.000 0.575 123 I N 0.733 121.166 120.570 -0.228 0.000 2.530 123 I HA -0.093 4.077 4.170 0.001 0.000 0.257 123 I C 2.208 178.225 176.117 -0.166 0.000 1.179 123 I CA 2.094 63.237 61.300 -0.261 0.000 1.440 123 I CB -0.150 37.569 38.000 -0.470 0.000 1.087 123 I HN 0.532 nan 8.210 nan 0.000 0.440 124 E N 0.343 120.514 120.200 -0.049 0.000 2.516 124 E HA -0.046 4.305 4.350 0.001 0.000 0.199 124 E C 1.663 178.263 176.600 -0.000 0.000 1.069 124 E CA 0.429 56.854 56.400 0.042 0.000 0.876 124 E CB 0.161 29.933 29.700 0.120 0.000 0.843 124 E HN 0.439 nan 8.360 nan 0.000 0.530 125 S N 0.186 115.860 115.700 -0.042 0.000 2.539 125 S HA 0.041 4.512 4.470 0.001 0.000 0.221 125 S C 0.732 175.309 174.600 -0.039 0.000 0.987 125 S CA -0.289 57.892 58.200 -0.032 0.000 0.929 125 S CB 0.462 63.636 63.200 -0.043 0.000 0.832 125 S HN 0.178 nan 8.310 nan 0.000 0.492 126 S N 2.574 118.230 115.700 -0.074 0.000 2.617 126 S HA 0.466 4.937 4.470 0.001 0.000 0.269 126 S C 0.293 174.848 174.600 -0.076 0.000 1.292 126 S CA -1.085 57.072 58.200 -0.070 0.000 1.010 126 S CB 0.636 63.772 63.200 -0.107 0.000 0.944 126 S HN 0.543 nan 8.310 nan 0.000 0.536 127 R N 0.586 121.055 120.500 -0.052 0.000 2.861 127 R HA 0.195 4.535 4.340 0.001 0.000 0.268 127 R C 0.809 177.012 176.300 -0.162 0.000 1.027 127 R CA -0.553 55.498 56.100 -0.082 0.000 1.163 127 R CB -0.311 29.955 30.300 -0.056 0.000 1.060 127 R HN 0.381 nan 8.270 nan 0.000 0.483 128 V N 0.462 120.212 119.914 -0.274 0.000 2.282 128 V HA -0.286 3.834 4.120 0.001 0.000 0.249 128 V C 2.167 178.111 176.094 -0.249 0.000 1.057 128 V CA 1.897 63.993 62.300 -0.340 0.000 1.032 128 V CB -0.936 30.517 31.823 -0.618 0.000 0.645 128 V HN 0.667 nan 8.190 nan 0.000 0.447 129 F N 1.132 120.945 119.950 -0.229 0.000 2.065 129 F HA -0.230 4.298 4.527 0.001 0.000 0.298 129 F C 2.681 178.501 175.800 0.033 0.000 1.112 129 F CA 2.059 60.000 58.000 -0.098 0.000 1.212 129 F CB -1.765 37.188 39.000 -0.078 0.000 0.975 129 F HN 0.116 nan 8.300 nan 0.000 0.476 130 T N -0.220 114.432 114.554 0.164 0.000 2.684 130 T HA -0.218 4.132 4.350 0.001 0.000 0.267 130 T C 2.109 176.789 174.700 -0.034 0.000 1.036 130 T CA 1.607 63.754 62.100 0.078 0.000 1.148 130 T CB -0.311 68.539 68.868 -0.030 0.000 0.863 130 T HN 0.196 nan 8.240 nan 0.000 0.436 131 R N 0.237 120.613 120.500 -0.207 0.000 2.148 131 R HA 0.115 4.455 4.340 0.001 0.000 0.227 131 R C 2.517 178.637 176.300 -0.300 0.000 1.103 131 R CA 0.991 56.793 56.100 -0.497 0.000 0.983 131 R CB -0.295 29.545 30.300 -0.766 0.000 0.874 131 R HN 0.431 nan 8.270 nan 0.000 0.451 132 M N -0.645 118.862 119.600 -0.154 0.000 2.156 132 M HA -0.146 4.334 4.480 0.001 0.000 0.264 132 M C 1.394 177.565 176.300 -0.216 0.000 1.067 132 M CA 1.679 56.844 55.300 -0.226 0.000 1.131 132 M CB -0.106 32.435 32.600 -0.098 0.000 1.368 132 M HN 0.145 nan 8.290 nan 0.000 0.416 133 W N 0.933 122.204 121.300 -0.047 0.000 2.335 133 W HA -0.184 4.476 4.660 0.001 0.000 0.311 133 W C 2.089 178.585 176.519 -0.038 0.000 1.213 133 W CA 1.258 58.607 57.345 0.007 0.000 1.274 133 W CB -0.378 29.093 29.460 0.018 0.000 1.148 133 W HN 0.198 nan 8.180 nan 0.000 0.498 134 L N -0.397 120.916 121.223 0.151 0.000 2.131 134 L HA -0.196 4.144 4.340 0.001 0.000 0.210 134 L C 2.595 179.481 176.870 0.027 0.000 1.092 134 L CA 1.157 56.050 54.840 0.087 0.000 0.759 134 L CB -1.105 40.970 42.059 0.026 0.000 0.903 134 L HN -0.001 nan 8.230 nan 0.000 0.435 135 A N -0.001 122.727 122.820 -0.153 0.000 1.933 135 A HA -0.171 4.150 4.320 0.001 0.000 0.218 135 A C 2.239 179.570 177.584 -0.421 0.000 1.175 135 A CA 1.342 53.098 52.037 -0.468 0.000 0.628 135 A CB -0.643 17.693 19.000 -1.107 0.000 0.814 135 A HN 0.356 nan 8.150 nan 0.000 0.444 136 L N -0.112 120.984 121.223 -0.211 0.000 2.131 136 L HA -0.140 4.200 4.340 0.001 0.000 0.210 136 L C 2.155 179.204 176.870 0.299 0.000 1.092 136 L CA 1.425 56.359 54.840 0.157 0.000 0.759 136 L CB -0.172 42.002 42.059 0.190 0.000 0.903 136 L HN 0.460 nan 8.230 nan 0.000 0.435 137 V N -4.099 115.961 119.914 0.244 0.000 3.647 137 V HA 0.462 4.583 4.120 0.001 0.000 0.279 137 V C 1.241 177.457 176.094 0.202 0.000 1.314 137 V CA 0.296 62.768 62.300 0.286 0.000 1.125 137 V CB -0.302 31.660 31.823 0.233 0.000 0.907 137 V HN 0.451 nan 8.190 nan 0.000 0.434 138 G N 0.947 109.832 108.800 0.141 0.000 2.137 138 G HA2 -0.205 3.756 3.960 0.001 0.000 0.237 138 G HA3 -0.205 3.756 3.960 0.001 0.000 0.237 138 G C 0.243 175.222 174.900 0.132 0.000 1.002 138 G CA 0.398 45.570 45.100 0.120 0.000 0.702 138 G HN 0.534 nan 8.290 nan 0.000 0.515 139 E N -1.090 119.205 120.200 0.158 0.000 2.437 139 E HA 0.361 4.712 4.350 0.001 0.000 0.195 139 E C -0.339 176.473 176.600 0.352 0.000 1.029 139 E CA -0.216 56.318 56.400 0.224 0.000 0.948 139 E CB 0.346 30.163 29.700 0.194 0.000 1.082 139 E HN 0.692 nan 8.360 nan 0.000 0.456 140 Y N 0.522 120.872 120.300 0.084 0.000 2.465 140 Y HA 0.180 4.731 4.550 0.001 0.000 0.323 140 Y C -2.659 173.233 175.900 -0.013 0.000 1.191 140 Y CA -1.943 56.211 58.100 0.090 0.000 1.082 140 Y CB 1.714 40.194 38.460 0.033 0.000 1.334 140 Y HN -0.141 nan 8.280 nan 0.000 0.449 141 P HA 0.002 nan 4.420 nan 0.000 0.271 141 P C 0.195 177.451 177.300 -0.074 0.000 1.220 141 P CA 0.329 63.301 63.100 -0.213 0.000 0.768 141 P CB 0.790 32.324 31.700 -0.278 0.000 0.848 142 W N 2.113 123.434 121.300 0.035 0.000 2.374 142 W HA -0.142 4.518 4.660 0.001 0.000 0.288 142 W C 2.030 178.636 176.519 0.145 0.000 1.218 142 W CA 0.854 58.268 57.345 0.115 0.000 1.245 142 W CB -0.410 29.100 29.460 0.083 0.000 1.126 142 W HN 0.430 nan 8.180 nan 0.000 0.545 143 E N 0.186 120.557 120.200 0.286 0.000 2.219 143 E HA -0.197 4.154 4.350 0.001 0.000 0.198 143 E C 1.487 178.016 176.600 -0.118 0.000 0.998 143 E CA 1.257 57.727 56.400 0.117 0.000 0.818 143 E CB -0.269 29.444 29.700 0.021 0.000 0.741 143 E HN 0.215 nan 8.360 nan 0.000 0.477 144 K N 0.273 120.666 120.400 -0.012 0.000 2.417 144 K HA 0.145 4.465 4.320 0.001 0.000 0.196 144 K C -0.394 176.336 176.600 0.217 0.000 1.023 144 K CA 0.031 56.328 56.287 0.015 0.000 1.122 144 K CB 0.939 33.407 32.500 -0.054 0.000 0.850 144 K HN -0.032 nan 8.250 nan 0.000 0.521 145 V N 3.168 123.279 119.914 0.329 0.000 2.394 145 V HA 0.187 4.307 4.120 0.001 0.000 0.282 145 V C -2.390 173.972 176.094 0.448 0.000 1.031 145 V CA -2.470 60.051 62.300 0.369 0.000 0.881 145 V CB 1.182 33.242 31.823 0.394 0.000 0.982 145 V HN -0.010 nan 8.190 nan 0.000 0.451 146 P HA 0.020 nan 4.420 nan 0.000 0.260 146 P C -0.313 177.185 177.300 0.329 0.000 1.172 146 P CA 0.112 63.428 63.100 0.361 0.000 0.760 146 P CB 0.261 32.128 31.700 0.279 0.000 0.773 147 M N 5.143 124.857 119.600 0.189 0.000 2.235 147 M HA 0.286 4.767 4.480 0.001 0.000 0.351 147 M C -1.099 175.158 176.300 -0.072 0.000 1.178 147 M CA 0.134 55.388 55.300 -0.076 0.000 1.143 147 M CB 0.614 32.969 32.600 -0.408 0.000 1.530 147 M HN 0.013 nan 8.290 nan 0.000 0.461 148 V N 8.009 127.827 119.914 -0.160 0.000 2.462 148 V HA 0.495 4.615 4.120 0.001 0.000 0.288 148 V C -2.314 173.642 176.094 -0.230 0.000 1.020 148 V CA -1.105 61.050 62.300 -0.241 0.000 0.857 148 V CB 1.505 33.053 31.823 -0.459 0.000 1.013 148 V HN 0.823 nan 8.190 nan 0.000 0.431 149 P HA 0.348 nan 4.420 nan 0.000 0.281 149 P C -2.518 174.674 177.300 -0.181 0.000 1.249 149 P CA -1.903 61.107 63.100 -0.151 0.000 0.810 149 P CB 1.834 33.505 31.700 -0.049 0.000 1.008 150 P HA -0.138 nan 4.420 nan 0.000 0.218 150 P C 1.155 178.292 177.300 -0.271 0.000 1.148 150 P CA 1.473 64.437 63.100 -0.227 0.000 0.822 150 P CB -0.045 31.540 31.700 -0.191 0.000 0.784 151 E N -0.603 119.511 120.200 -0.144 0.000 2.333 151 E HA -0.168 4.182 4.350 0.001 0.000 0.200 151 E C 1.775 178.315 176.600 -0.101 0.000 1.010 151 E CA 0.473 56.835 56.400 -0.062 0.000 0.841 151 E CB -1.142 28.698 29.700 0.233 0.000 0.757 151 E HN 0.302 nan 8.360 nan 0.000 0.508 152 I N -0.048 120.433 120.570 -0.147 0.000 2.657 152 I HA -0.259 3.912 4.170 0.001 0.000 0.261 152 I C 1.185 177.185 176.117 -0.196 0.000 1.212 152 I CA 0.856 62.074 61.300 -0.137 0.000 1.453 152 I CB 0.099 37.977 38.000 -0.203 0.000 1.092 152 I HN 0.144 nan 8.210 nan 0.000 0.452 153 M N -0.171 119.224 119.600 -0.342 0.000 2.460 153 M HA -0.126 4.355 4.480 0.001 0.000 0.263 153 M C 1.681 177.812 176.300 -0.280 0.000 1.071 153 M CA 1.392 56.463 55.300 -0.382 0.000 1.096 153 M CB -1.082 31.220 32.600 -0.495 0.000 1.408 153 M HN 0.234 nan 8.290 nan 0.000 0.463 154 F N 0.148 120.076 119.950 -0.036 0.000 2.416 154 F HA 0.131 4.659 4.527 0.001 0.000 0.296 154 F C 1.095 176.887 175.800 -0.013 0.000 1.099 154 F CA -0.394 57.591 58.000 -0.025 0.000 1.427 154 F CB -0.874 38.107 39.000 -0.031 0.000 1.079 154 F HN -0.066 nan 8.300 nan 0.000 0.536 155 L N 0.710 122.025 121.223 0.154 0.000 2.578 155 L HA 0.083 4.424 4.340 0.001 0.000 0.279 155 L C 1.208 178.139 176.870 0.102 0.000 1.227 155 L CA -0.068 54.836 54.840 0.107 0.000 0.900 155 L CB -0.528 41.578 42.059 0.078 0.000 1.144 155 L HN 0.132 nan 8.230 nan 0.000 0.496 156 G N 2.387 111.238 108.800 0.084 0.000 2.572 156 G HA2 0.124 4.085 3.960 0.001 0.000 0.261 156 G HA3 0.124 4.085 3.960 0.001 0.000 0.261 156 G C 0.718 175.664 174.900 0.076 0.000 1.197 156 G CA -0.563 44.580 45.100 0.072 0.000 0.870 156 G HN 0.776 nan 8.290 nan 0.000 0.548 157 K N -0.119 120.310 120.400 0.048 0.000 2.107 157 K HA -0.169 4.152 4.320 0.001 0.000 0.211 157 K C 1.177 177.806 176.600 0.047 0.000 1.049 157 K CA 1.441 57.742 56.287 0.024 0.000 0.927 157 K CB -0.054 32.415 32.500 -0.052 0.000 0.714 157 K HN 0.505 nan 8.250 nan 0.000 0.452 158 R N 1.141 121.662 120.500 0.035 0.000 2.664 158 R HA 0.359 4.699 4.340 0.001 0.000 0.281 158 R C -0.740 175.582 176.300 0.036 0.000 1.383 158 R CA 0.041 56.161 56.100 0.034 0.000 1.563 158 R CB 0.010 30.320 30.300 0.017 0.000 1.131 158 R HN 0.030 nan 8.270 nan 0.000 0.599 159 M N 2.376 122.006 119.600 0.050 0.000 2.465 159 M HA 0.375 4.855 4.480 0.001 0.000 0.284 159 M C -2.696 173.636 176.300 0.053 0.000 1.212 159 M CA -1.961 53.367 55.300 0.046 0.000 0.910 159 M CB 3.756 36.387 32.600 0.051 0.000 1.725 159 M HN 0.107 nan 8.290 nan 0.000 0.477 160 P HA 0.052 nan 4.420 nan 0.000 0.262 160 P C 0.143 177.483 177.300 0.066 0.000 1.182 160 P CA 0.443 63.571 63.100 0.047 0.000 0.761 160 P CB 0.458 32.186 31.700 0.047 0.000 0.795 161 L N -1.415 119.842 121.223 0.058 0.000 4.429 161 L HA -0.309 4.032 4.340 0.001 0.000 0.422 161 L C 0.836 177.831 176.870 0.209 0.000 1.149 161 L CA 0.656 55.571 54.840 0.125 0.000 0.972 161 L CB -2.290 39.850 42.059 0.135 0.000 2.059 161 L HN 0.575 nan 8.230 nan 0.000 0.870 162 N N 1.254 120.044 118.700 0.151 0.000 2.453 162 N HA 0.251 4.992 4.740 0.001 0.000 0.253 162 N C 1.371 176.978 175.510 0.162 0.000 1.252 162 N CA 0.151 53.280 53.050 0.132 0.000 0.917 162 N CB 0.459 39.035 38.487 0.148 0.000 1.117 162 N HN 0.365 nan 8.380 nan 0.000 0.442 163 I N -2.796 117.748 120.570 -0.043 0.000 2.800 163 I HA -0.164 4.006 4.170 0.001 0.000 0.266 163 I C 0.117 176.073 176.117 -0.268 0.000 1.249 163 I CA 1.036 62.156 61.300 -0.299 0.000 1.458 163 I CB -0.516 37.062 38.000 -0.703 0.000 1.093 163 I HN 0.478 nan 8.210 nan 0.000 0.466 164 Y N 1.383 121.734 120.300 0.085 0.000 2.461 164 Y HA 0.226 4.777 4.550 0.001 0.000 0.277 164 Y C 1.982 177.950 175.900 0.113 0.000 1.182 164 Y CA 0.069 58.234 58.100 0.108 0.000 1.276 164 Y CB -0.059 38.457 38.460 0.093 0.000 1.087 164 Y HN 0.270 nan 8.280 nan 0.000 0.519 165 E N -0.641 119.692 120.200 0.222 0.000 2.452 165 E HA 0.063 4.413 4.350 0.001 0.000 0.197 165 E C -0.400 176.165 176.600 -0.058 0.000 1.022 165 E CA 0.072 56.509 56.400 0.061 0.000 0.890 165 E CB 0.290 29.972 29.700 -0.030 0.000 0.918 165 E HN 0.195 nan 8.360 nan 0.000 0.496 166 F N 0.811 120.689 119.950 -0.121 0.000 2.380 166 F HA 0.380 4.908 4.527 0.001 0.000 0.321 166 F C 1.371 177.021 175.800 -0.249 0.000 1.103 166 F CA -0.710 57.178 58.000 -0.187 0.000 1.067 166 F CB 0.509 39.376 39.000 -0.221 0.000 1.265 166 F HN -0.224 nan 8.300 nan 0.000 0.517 167 G N 0.041 108.700 108.800 -0.235 0.000 2.527 167 G HA2 0.306 4.267 3.960 0.001 0.000 0.248 167 G HA3 0.306 4.267 3.960 0.001 0.000 0.248 167 G C 0.831 175.376 174.900 -0.592 0.000 1.231 167 G CA 0.067 44.791 45.100 -0.627 0.000 0.838 167 G HN 0.816 nan 8.290 nan 0.000 0.570 168 S N 0.654 116.112 115.700 -0.404 0.000 2.381 168 S HA -0.289 4.182 4.470 0.001 0.000 0.230 168 S C 1.966 176.410 174.600 -0.260 0.000 1.052 168 S CA 2.400 60.453 58.200 -0.244 0.000 1.068 168 S CB -0.882 62.161 63.200 -0.262 0.000 0.918 168 S HN 0.999 nan 8.310 nan 0.000 0.448 169 W N 2.207 123.486 121.300 -0.036 0.000 2.374 169 W HA 0.354 5.015 4.660 0.001 0.000 0.288 169 W C 2.378 178.972 176.519 0.125 0.000 1.218 169 W CA 0.556 57.926 57.345 0.041 0.000 1.245 169 W CB -0.903 28.680 29.460 0.205 0.000 1.126 169 W HN 0.378 nan 8.180 nan 0.000 0.545 170 A N 1.131 123.941 122.820 -0.016 0.000 1.935 170 A HA 0.008 4.328 4.320 0.001 0.000 0.214 170 A C 2.240 179.788 177.584 -0.059 0.000 1.178 170 A CA 1.263 53.381 52.037 0.135 0.000 0.640 170 A CB -0.830 18.256 19.000 0.144 0.000 0.825 170 A HN 0.350 nan 8.150 nan 0.000 0.447 171 R N -0.002 120.389 120.500 -0.181 0.000 2.122 171 R HA -0.214 4.127 4.340 0.001 0.000 0.236 171 R C 2.294 178.371 176.300 -0.371 0.000 1.129 171 R CA 1.965 57.847 56.100 -0.364 0.000 0.925 171 R CB -0.515 29.619 30.300 -0.276 0.000 0.850 171 R HN 0.411 nan 8.270 nan 0.000 0.431 172 A N -0.208 122.556 122.820 -0.094 0.000 1.940 172 A HA -0.159 4.162 4.320 0.001 0.000 0.219 172 A C 2.200 179.790 177.584 0.009 0.000 1.176 172 A CA 2.161 54.246 52.037 0.081 0.000 0.631 172 A CB -0.891 18.303 19.000 0.323 0.000 0.814 172 A HN 0.572 nan 8.150 nan 0.000 0.446 173 T N -0.331 114.259 114.554 0.061 0.000 2.746 173 T HA -0.109 4.241 4.350 0.001 0.000 0.267 173 T C 1.871 176.530 174.700 -0.068 0.000 1.039 173 T CA 1.526 63.711 62.100 0.143 0.000 1.142 173 T CB -0.454 68.604 68.868 0.316 0.000 0.866 173 T HN 0.188 nan 8.240 nan 0.000 0.444 174 V N 1.393 121.154 119.914 -0.255 0.000 2.261 174 V HA -0.156 3.965 4.120 0.001 0.000 0.246 174 V C 2.716 178.536 176.094 -0.456 0.000 1.047 174 V CA 1.353 63.359 62.300 -0.490 0.000 1.015 174 V CB -0.858 30.503 31.823 -0.770 0.000 0.642 174 V HN 0.315 nan 8.190 nan 0.000 0.446 175 V N 0.515 120.146 119.914 -0.471 0.000 2.287 175 V HA -0.288 3.833 4.120 0.001 0.000 0.248 175 V C 2.723 178.666 176.094 -0.252 0.000 1.053 175 V CA 2.193 64.237 62.300 -0.427 0.000 1.027 175 V CB -1.295 30.201 31.823 -0.546 0.000 0.646 175 V HN 0.560 nan 8.190 nan 0.000 0.447 176 A N -0.392 122.324 122.820 -0.173 0.000 1.898 176 A HA -0.112 4.209 4.320 0.001 0.000 0.216 176 A C 2.213 179.720 177.584 -0.128 0.000 1.181 176 A CA 1.679 53.647 52.037 -0.114 0.000 0.620 176 A CB -0.525 18.452 19.000 -0.039 0.000 0.819 176 A HN 0.500 nan 8.150 nan 0.000 0.442 177 L N 0.569 121.682 121.223 -0.184 0.000 2.201 177 L HA -0.148 4.193 4.340 0.001 0.000 0.212 177 L C 2.958 179.687 176.870 -0.235 0.000 1.105 177 L CA 1.297 56.002 54.840 -0.225 0.000 0.775 177 L CB -0.391 41.489 42.059 -0.299 0.000 0.913 177 L HN 0.633 nan 8.230 nan 0.000 0.440 178 S N 0.168 115.702 115.700 -0.276 0.000 2.399 178 S HA -0.172 4.298 4.470 0.001 0.000 0.231 178 S C 1.859 176.322 174.600 -0.227 0.000 1.022 178 S CA 1.008 59.044 58.200 -0.272 0.000 0.983 178 S CB -0.551 62.471 63.200 -0.297 0.000 0.803 178 S HN 0.413 nan 8.310 nan 0.000 0.480 179 I N 1.293 121.749 120.570 -0.191 0.000 2.286 179 I HA -0.084 4.087 4.170 0.001 0.000 0.245 179 I C 2.409 178.428 176.117 -0.163 0.000 1.104 179 I CA 0.849 62.053 61.300 -0.160 0.000 1.397 179 I CB -0.472 37.458 38.000 -0.116 0.000 1.072 179 I HN 0.224 nan 8.210 nan 0.000 0.417 180 V N 0.431 120.259 119.914 -0.144 0.000 2.307 180 V HA -0.279 3.841 4.120 0.001 0.000 0.245 180 V C 2.387 178.313 176.094 -0.279 0.000 1.045 180 V CA 1.854 64.078 62.300 -0.127 0.000 1.024 180 V CB -0.542 31.263 31.823 -0.031 0.000 0.651 180 V HN 0.377 nan 8.190 nan 0.000 0.449 181 M N -0.060 119.366 119.600 -0.290 0.000 2.460 181 M HA -0.110 4.371 4.480 0.001 0.000 0.263 181 M C 2.355 178.387 176.300 -0.447 0.000 1.071 181 M CA 1.292 56.333 55.300 -0.432 0.000 1.096 181 M CB -0.265 32.191 32.600 -0.241 0.000 1.408 181 M HN 0.421 nan 8.290 nan 0.000 0.463 182 S N 0.162 115.653 115.700 -0.348 0.000 2.387 182 S HA -0.055 4.415 4.470 0.001 0.000 0.226 182 S C 1.879 176.261 174.600 -0.363 0.000 1.026 182 S CA 0.986 58.985 58.200 -0.335 0.000 0.972 182 S CB 0.052 63.096 63.200 -0.260 0.000 0.814 182 S HN 0.381 nan 8.310 nan 0.000 0.477 183 R N 0.657 120.949 120.500 -0.347 0.000 2.290 183 R HA 0.272 4.612 4.340 0.001 0.000 0.197 183 R C 0.034 176.069 176.300 -0.441 0.000 0.913 183 R CA 0.052 55.959 56.100 -0.322 0.000 1.040 183 R CB -0.817 29.352 30.300 -0.218 0.000 0.992 183 R HN 0.565 nan 8.270 nan 0.000 0.500 184 Q N 1.816 121.192 119.800 -0.707 0.000 2.423 184 Q HA -0.144 4.197 4.340 0.001 0.000 0.368 184 Q C -2.111 173.503 176.000 -0.643 0.000 1.371 184 Q CA 0.131 55.164 55.803 -1.283 0.000 1.106 184 Q CB -1.114 26.794 28.738 -1.384 0.000 1.263 184 Q HN 0.276 nan 8.270 nan 0.000 0.325 185 P HA 0.363 nan 4.420 nan 0.000 0.279 185 P C -0.498 176.779 177.300 -0.039 0.000 1.252 185 P CA -0.410 62.569 63.100 -0.201 0.000 0.811 185 P CB 1.478 33.049 31.700 -0.216 0.000 1.035 186 V N 2.622 122.336 119.914 -0.334 0.000 2.524 186 V HA 0.293 4.414 4.120 0.001 0.000 0.297 186 V C -0.712 175.149 176.094 -0.389 0.000 1.035 186 V CA -0.269 61.938 62.300 -0.156 0.000 0.867 186 V CB 1.111 32.964 31.823 0.050 0.000 1.004 186 V HN 0.332 nan 8.190 nan 0.000 0.426 187 F N 5.629 125.686 119.950 0.177 0.000 2.310 187 F HA 0.479 5.006 4.527 0.001 0.000 0.365 187 F C -2.204 173.771 175.800 0.292 0.000 1.080 187 F CA -2.764 55.332 58.000 0.160 0.000 1.187 187 F CB 1.037 40.085 39.000 0.079 0.000 1.465 187 F HN 0.294 nan 8.300 nan 0.000 0.496 188 P HA -0.011 nan 4.420 nan 0.000 0.264 188 P C -0.250 177.263 177.300 0.354 0.000 1.183 188 P CA 0.349 63.618 63.100 0.282 0.000 0.763 188 P CB 0.628 32.439 31.700 0.184 0.000 0.807 189 L N 5.523 126.875 121.223 0.215 0.000 2.399 189 L HA 0.441 4.781 4.340 0.001 0.000 0.266 189 L C -1.617 175.336 176.870 0.139 0.000 1.114 189 L CA -2.175 52.734 54.840 0.115 0.000 0.804 189 L CB 0.387 42.484 42.059 0.063 0.000 1.146 189 L HN 0.275 nan 8.230 nan 0.000 0.451 190 P HA 0.086 nan 4.420 nan 0.000 0.272 190 P C -0.211 177.124 177.300 0.059 0.000 1.223 190 P CA -0.331 62.818 63.100 0.082 0.000 0.784 190 P CB 0.928 32.653 31.700 0.043 0.000 0.923 191 E N 1.075 121.307 120.200 0.053 0.000 2.114 191 E HA -0.238 4.112 4.350 0.001 0.000 0.199 191 E C 2.081 178.704 176.600 0.038 0.000 1.008 191 E CA 1.463 57.893 56.400 0.049 0.000 0.810 191 E CB -0.478 29.247 29.700 0.042 0.000 0.739 191 E HN 0.443 nan 8.360 nan 0.000 0.456 192 R N -0.016 120.494 120.500 0.017 0.000 2.170 192 R HA -0.131 4.210 4.340 0.001 0.000 0.242 192 R C 1.379 177.679 176.300 -0.000 0.000 1.145 192 R CA 1.443 57.542 56.100 -0.001 0.000 0.984 192 R CB -0.078 30.203 30.300 -0.033 0.000 0.869 192 R HN 0.249 nan 8.270 nan 0.000 0.455 193 A N 0.435 123.264 122.820 0.015 0.000 2.431 193 A HA 0.196 4.516 4.320 0.001 0.000 0.239 193 A C -0.116 177.515 177.584 0.078 0.000 1.230 193 A CA -0.464 51.595 52.037 0.037 0.000 0.928 193 A CB 0.211 19.249 19.000 0.063 0.000 1.006 193 A HN 0.037 nan 8.150 nan 0.000 0.520 194 R N 0.265 120.817 120.500 0.086 0.000 2.638 194 R HA 0.120 4.460 4.340 0.001 0.000 0.268 194 R C 0.250 176.631 176.300 0.135 0.000 1.006 194 R CA 0.504 56.672 56.100 0.112 0.000 1.088 194 R CB -0.015 30.347 30.300 0.104 0.000 0.950 194 R HN 0.388 nan 8.270 nan 0.000 0.419 195 V N 0.320 120.334 119.914 0.166 0.000 2.737 195 V HA 0.182 4.302 4.120 0.001 0.000 0.320 195 V C -1.523 174.693 176.094 0.205 0.000 1.174 195 V CA -1.189 61.234 62.300 0.204 0.000 1.355 195 V CB 0.887 32.849 31.823 0.232 0.000 1.558 195 V HN 0.519 nan 8.190 nan 0.000 0.618 196 P HA -0.230 nan 4.420 nan 0.000 0.218 196 P C 1.526 178.985 177.300 0.266 0.000 1.148 196 P CA 1.997 65.275 63.100 0.297 0.000 0.822 196 P CB 0.272 32.089 31.700 0.195 0.000 0.784 197 E N 0.791 121.090 120.200 0.166 0.000 2.339 197 E HA -0.180 4.171 4.350 0.001 0.000 0.201 197 E C 1.918 178.533 176.600 0.024 0.000 1.015 197 E CA 0.893 57.354 56.400 0.101 0.000 0.841 197 E CB -1.289 28.467 29.700 0.093 0.000 0.754 197 E HN 0.351 nan 8.360 nan 0.000 0.508 198 L N -0.445 120.763 121.223 -0.025 0.000 2.465 198 L HA -0.072 4.269 4.340 0.001 0.000 0.224 198 L C 1.570 178.289 176.870 -0.252 0.000 1.145 198 L CA 0.757 55.477 54.840 -0.199 0.000 0.834 198 L CB -0.316 41.577 42.059 -0.277 0.000 0.944 198 L HN 0.055 nan 8.230 nan 0.000 0.451 199 Y N -0.730 119.583 120.300 0.022 0.000 2.503 199 Y HA 0.064 4.614 4.550 0.001 0.000 0.277 199 Y C 1.150 177.057 175.900 0.011 0.000 1.102 199 Y CA -0.433 57.684 58.100 0.028 0.000 1.261 199 Y CB 0.153 38.640 38.460 0.044 0.000 1.096 199 Y HN 0.051 nan 8.280 nan 0.000 0.546 200 E N 1.662 121.953 120.200 0.152 0.000 1.855 200 E HA 0.062 4.413 4.350 0.001 0.000 0.259 200 E C -0.607 176.018 176.600 0.041 0.000 1.229 200 E CA 0.420 56.871 56.400 0.085 0.000 1.042 200 E CB -0.272 29.468 29.700 0.067 0.000 1.079 200 E HN 0.082 nan 8.360 nan 0.000 0.434 201 T N 0.995 115.575 114.554 0.043 0.000 2.932 201 T HA 0.066 4.416 4.350 0.001 0.000 0.318 201 T C 0.103 174.816 174.700 0.022 0.000 1.265 201 T CA -0.912 61.198 62.100 0.016 0.000 1.036 201 T CB 1.283 70.146 68.868 -0.008 0.000 1.209 201 T HN 0.367 nan 8.240 nan 0.000 0.484 202 D N 0.536 120.943 120.400 0.012 0.000 2.324 202 D HA 0.033 4.674 4.640 0.001 0.000 0.212 202 D C 0.934 177.240 176.300 0.010 0.000 0.984 202 D CA 0.317 54.326 54.000 0.014 0.000 0.885 202 D CB -0.232 40.575 40.800 0.012 0.000 0.996 202 D HN 0.305 nan 8.370 nan 0.000 0.505 203 V N 4.120 124.034 119.914 -0.000 0.000 2.752 203 V HA 0.011 4.132 4.120 0.001 0.000 0.306 203 V C -1.801 174.294 176.094 0.002 0.000 1.099 203 V CA -0.566 61.731 62.300 -0.005 0.000 1.240 203 V CB -0.076 31.733 31.823 -0.024 0.000 0.887 203 V HN 0.188 nan 8.190 nan 0.000 0.499 204 P HA 0.192 nan 4.420 nan 0.000 0.271 204 P C -2.503 174.804 177.300 0.011 0.000 1.220 204 P CA -1.443 61.665 63.100 0.013 0.000 0.768 204 P CB 0.307 32.017 31.700 0.015 0.000 0.848 205 P HA 0.048 nan 4.420 nan 0.000 0.266 205 P C -0.126 177.185 177.300 0.019 0.000 1.215 205 P CA 0.176 63.288 63.100 0.019 0.000 0.763 205 P CB 0.395 32.120 31.700 0.042 0.000 0.806 206 R N 3.565 124.071 120.500 0.010 0.000 2.369 206 R HA 0.420 4.761 4.340 0.001 0.000 0.310 206 R C 0.002 176.315 176.300 0.021 0.000 1.141 206 R CA -0.814 55.297 56.100 0.018 0.000 1.116 206 R CB 0.809 31.118 30.300 0.014 0.000 1.135 206 R HN 0.360 nan 8.270 nan 0.000 0.529 207 R N 2.715 123.232 120.500 0.029 0.000 2.390 207 R HA 0.157 4.497 4.340 0.001 0.000 0.291 207 R C -0.362 175.958 176.300 0.033 0.000 1.070 207 R CA -0.524 55.593 56.100 0.029 0.000 1.014 207 R CB 0.977 31.299 30.300 0.038 0.000 1.007 207 R HN 0.542 nan 8.270 nan 0.000 0.466 208 R N 2.100 122.617 120.500 0.029 0.000 2.438 208 R HA 0.220 4.560 4.340 0.001 0.000 0.287 208 R C -0.325 175.990 176.300 0.025 0.000 1.077 208 R CA 0.006 56.126 56.100 0.034 0.000 1.034 208 R CB 1.034 31.359 30.300 0.041 0.000 0.993 208 R HN 0.808 nan 8.270 nan 0.000 0.459 209 G N 1.356 110.174 108.800 0.030 0.000 2.552 209 G HA2 0.520 4.481 3.960 0.001 0.000 0.318 209 G HA3 0.520 4.481 3.960 0.001 0.000 0.318 209 G C -0.949 173.956 174.900 0.008 0.000 1.240 209 G CA -0.618 44.500 45.100 0.029 0.000 1.002 209 G HN 0.826 nan 8.290 nan 0.000 0.493 210 A N 0.215 123.039 122.820 0.006 0.000 2.565 210 A HA 0.256 4.576 4.320 0.001 0.000 0.237 210 A C 1.749 179.308 177.584 -0.042 0.000 1.053 210 A CA 0.035 52.052 52.037 -0.033 0.000 0.755 210 A CB 0.254 19.232 19.000 -0.036 0.000 0.980 210 A HN 0.605 nan 8.150 nan 0.000 0.506 211 K N 2.317 122.665 120.400 -0.086 0.000 2.148 211 K HA -0.235 4.086 4.320 0.001 0.000 0.213 211 K C 1.422 177.973 176.600 -0.081 0.000 1.050 211 K CA 2.167 58.398 56.287 -0.094 0.000 0.932 211 K CB -0.472 31.943 32.500 -0.141 0.000 0.717 211 K HN 0.875 nan 8.250 nan 0.000 0.462 212 G N -0.458 108.272 108.800 -0.117 0.000 3.774 212 G HA2 0.428 4.389 3.960 0.001 0.000 0.287 212 G HA3 0.428 4.389 3.960 0.001 0.000 0.287 212 G C -0.043 174.960 174.900 0.172 0.000 1.030 212 G CA 0.269 45.342 45.100 -0.045 0.000 0.824 212 G HN 0.489 nan 8.290 nan 0.000 0.518 213 G N -1.286 107.603 108.800 0.149 0.000 2.788 213 G HA2 0.446 4.406 3.960 0.001 0.000 0.686 213 G HA3 0.446 4.406 3.960 0.001 0.000 0.686 213 G C 0.043 175.088 174.900 0.242 0.000 1.147 213 G CA -0.361 44.848 45.100 0.181 0.000 0.755 213 G HN 1.069 nan 8.290 nan 0.000 0.634 214 G N 0.378 109.282 108.800 0.174 0.000 2.370 214 G HA2 0.785 4.746 3.960 0.001 0.000 0.317 214 G HA3 0.785 4.746 3.960 0.001 0.000 0.317 214 G C 0.551 175.585 174.900 0.224 0.000 1.162 214 G CA 0.549 45.775 45.100 0.210 0.000 0.922 214 G HN 1.548 nan 8.290 nan 0.000 0.454 215 G N 2.122 111.109 108.800 0.312 0.000 2.415 215 G HA2 0.342 4.302 3.960 0.001 0.000 0.269 215 G HA3 0.342 4.302 3.960 0.001 0.000 0.269 215 G C 1.065 175.948 174.900 -0.027 0.000 1.209 215 G CA -0.580 44.569 45.100 0.080 0.000 0.835 215 G HN 0.819 nan 8.290 nan 0.000 0.534 216 W N 3.125 124.429 121.300 0.006 0.000 2.389 216 W HA -0.151 4.510 4.660 0.001 0.000 0.267 216 W C 0.864 177.344 176.519 -0.064 0.000 1.219 216 W CA 0.249 57.591 57.345 -0.006 0.000 1.189 216 W CB -0.717 28.732 29.460 -0.019 0.000 1.129 216 W HN 0.357 nan 8.180 nan 0.000 0.581 217 I N 0.939 120.793 120.570 -1.193 0.000 2.133 217 I HA -0.220 3.951 4.170 0.001 0.000 0.238 217 I C 2.457 178.213 176.117 -0.603 0.000 1.074 217 I CA 1.572 62.142 61.300 -1.216 0.000 1.342 217 I CB -1.585 35.517 38.000 -1.497 0.000 1.053 217 I HN -0.257 nan 8.210 nan 0.000 0.404 218 F N 0.858 120.680 119.950 -0.213 0.000 2.102 218 F HA -0.213 4.315 4.527 0.001 0.000 0.298 218 F C 2.404 178.206 175.800 0.003 0.000 1.105 218 F CA 1.693 59.652 58.000 -0.069 0.000 1.239 218 F CB -1.295 37.690 39.000 -0.026 0.000 0.991 218 F HN 0.117 nan 8.300 nan 0.000 0.474 219 D N 0.050 120.569 120.400 0.199 0.000 2.116 219 D HA -0.223 4.418 4.640 0.001 0.000 0.193 219 D C 2.242 178.631 176.300 0.148 0.000 0.998 219 D CA 1.662 55.768 54.000 0.178 0.000 0.836 219 D CB -0.252 40.658 40.800 0.184 0.000 0.951 219 D HN 0.169 nan 8.370 nan 0.000 0.449 220 A N -0.056 122.833 122.820 0.115 0.000 1.858 220 A HA -0.126 4.195 4.320 0.001 0.000 0.216 220 A C 2.133 179.772 177.584 0.091 0.000 1.190 220 A CA 1.434 53.540 52.037 0.115 0.000 0.617 220 A CB -1.072 18.001 19.000 0.122 0.000 0.827 220 A HN 0.377 nan 8.150 nan 0.000 0.443 221 L N 0.482 121.735 121.223 0.050 0.000 2.081 221 L HA -0.230 4.111 4.340 0.001 0.000 0.212 221 L C 1.839 178.782 176.870 0.122 0.000 1.080 221 L CA 2.836 57.714 54.840 0.065 0.000 0.754 221 L CB -0.939 41.154 42.059 0.057 0.000 0.893 221 L HN 0.537 nan 8.230 nan 0.000 0.433 222 D N -1.052 119.448 120.400 0.165 0.000 2.084 222 D HA -0.195 4.445 4.640 0.001 0.000 0.194 222 D C 2.267 178.737 176.300 0.283 0.000 0.990 222 D CA 1.508 55.643 54.000 0.226 0.000 0.826 222 D CB 0.012 40.961 40.800 0.248 0.000 0.971 222 D HN 0.327 nan 8.370 nan 0.000 0.453 223 R N 0.345 120.974 120.500 0.215 0.000 2.105 223 R HA -0.098 4.242 4.340 0.001 0.000 0.239 223 R C 2.355 178.765 176.300 0.185 0.000 1.135 223 R CA 1.180 57.393 56.100 0.188 0.000 0.967 223 R CB -0.440 29.936 30.300 0.127 0.000 0.861 223 R HN 0.161 nan 8.270 nan 0.000 0.442 224 A N 1.792 124.701 122.820 0.148 0.000 1.845 224 A HA -0.128 4.192 4.320 0.001 0.000 0.215 224 A C 2.268 179.948 177.584 0.161 0.000 1.195 224 A CA 1.183 53.295 52.037 0.125 0.000 0.616 224 A CB -0.671 18.376 19.000 0.079 0.000 0.832 224 A HN 0.178 nan 8.150 nan 0.000 0.443 225 L N -1.540 119.772 121.223 0.150 0.000 2.127 225 L HA -0.249 4.092 4.340 0.001 0.000 0.211 225 L C 2.515 179.443 176.870 0.098 0.000 1.089 225 L CA 1.734 56.657 54.840 0.138 0.000 0.757 225 L CB -0.644 41.447 42.059 0.053 0.000 0.899 225 L HN 0.516 nan 8.230 nan 0.000 0.434 226 H N -1.119 118.021 119.070 0.116 0.000 2.462 226 H HA -0.053 4.503 4.556 0.001 0.000 0.292 226 H C 2.156 177.539 175.328 0.092 0.000 1.049 226 H CA 1.102 57.204 56.048 0.090 0.000 1.334 226 H CB 0.012 29.827 29.762 0.088 0.000 1.404 226 H HN 0.304 nan 8.280 nan 0.000 0.544 227 G N -0.686 108.250 108.800 0.227 0.000 2.411 227 G HA2 -0.275 3.686 3.960 0.001 0.000 0.213 227 G HA3 -0.275 3.686 3.960 0.001 0.000 0.213 227 G C 1.431 176.454 174.900 0.203 0.000 1.166 227 G CA 0.364 45.571 45.100 0.178 0.000 0.802 227 G HN 0.393 nan 8.290 nan 0.000 0.533 228 Y N 1.417 121.767 120.300 0.084 0.000 2.207 228 Y HA -0.174 4.376 4.550 0.001 0.000 0.287 228 Y C 2.791 178.805 175.900 0.190 0.000 1.156 228 Y CA 1.858 60.021 58.100 0.104 0.000 1.182 228 Y CB -0.457 38.060 38.460 0.094 0.000 0.979 228 Y HN 0.290 nan 8.280 nan 0.000 0.521 229 Q N 0.919 120.743 119.800 0.040 0.000 2.135 229 Q HA -0.176 4.165 4.340 0.001 0.000 0.204 229 Q C 1.826 177.854 176.000 0.047 0.000 0.981 229 Q CA 2.075 57.813 55.803 -0.108 0.000 0.856 229 Q CB -0.209 28.451 28.738 -0.130 0.000 0.902 229 Q HN 0.497 nan 8.270 nan 0.000 0.425 230 K N -0.417 120.027 120.400 0.074 0.000 2.432 230 K HA 0.039 4.359 4.320 0.001 0.000 0.196 230 K C 0.342 176.962 176.600 0.033 0.000 1.038 230 K CA -0.057 56.264 56.287 0.057 0.000 0.986 230 K CB -0.016 32.519 32.500 0.058 0.000 0.782 230 K HN 0.232 nan 8.250 nan 0.000 0.485 231 L N 0.488 121.714 121.223 0.004 0.000 2.473 231 L HA -0.065 4.275 4.340 0.001 0.000 0.265 231 L C 1.812 178.531 176.870 -0.251 0.000 1.243 231 L CA 0.071 54.818 54.840 -0.155 0.000 0.822 231 L CB 0.528 42.433 42.059 -0.257 0.000 1.101 231 L HN 0.053 nan 8.230 nan 0.000 0.507 232 S N 0.195 115.758 115.700 -0.228 0.000 2.501 232 S HA 0.073 4.543 4.470 0.001 0.000 0.220 232 S C -0.022 174.435 174.600 -0.237 0.000 0.997 232 S CA 0.063 58.161 58.200 -0.170 0.000 0.919 232 S CB 0.062 63.202 63.200 -0.100 0.000 0.778 232 S HN 0.424 nan 8.310 nan 0.000 0.523 233 V N 0.793 120.461 119.914 -0.411 0.000 2.655 233 V HA 0.608 4.729 4.120 0.001 0.000 0.301 233 V C -1.898 173.920 176.094 -0.460 0.000 1.082 233 V CA -0.966 61.138 62.300 -0.327 0.000 0.899 233 V CB 0.912 32.637 31.823 -0.162 0.000 1.014 233 V HN 0.302 nan 8.190 nan 0.000 0.429 234 H N 5.678 124.689 119.070 -0.098 0.000 2.725 234 H HA 0.607 5.164 4.556 0.001 0.000 0.283 234 H C -2.557 172.772 175.328 0.001 0.000 1.110 234 H CA -1.875 54.142 56.048 -0.052 0.000 1.289 234 H CB 1.277 30.871 29.762 -0.280 0.000 1.400 234 H HN 0.622 nan 8.280 nan 0.000 0.493 235 P HA -0.096 nan 4.420 nan 0.000 0.266 235 P C -0.172 177.087 177.300 -0.069 0.000 1.195 235 P CA 0.044 63.018 63.100 -0.210 0.000 0.768 235 P CB 0.576 32.027 31.700 -0.414 0.000 0.838 236 F N -0.590 119.427 119.950 0.112 0.000 3.006 236 F HA -0.225 4.303 4.527 0.001 0.000 0.289 236 F C 1.805 177.755 175.800 0.250 0.000 0.772 236 F CA 1.189 59.281 58.000 0.153 0.000 1.162 236 F CB -2.198 36.844 39.000 0.070 0.000 1.382 236 F HN 0.409 nan 8.300 nan 0.000 0.406 237 R N 1.122 121.797 120.500 0.291 0.000 2.100 237 R HA -0.005 4.336 4.340 0.001 0.000 0.220 237 R C 2.366 178.735 176.300 0.115 0.000 1.091 237 R CA 1.229 57.444 56.100 0.193 0.000 0.986 237 R CB -0.149 30.198 30.300 0.079 0.000 0.888 237 R HN 0.450 nan 8.270 nan 0.000 0.444 238 R N 0.402 120.968 120.500 0.109 0.000 2.091 238 R HA -0.138 4.202 4.340 0.001 0.000 0.238 238 R C 1.937 178.294 176.300 0.095 0.000 1.136 238 R CA 1.795 57.937 56.100 0.070 0.000 0.959 238 R CB -0.422 29.919 30.300 0.068 0.000 0.856 238 R HN 0.279 nan 8.270 nan 0.000 0.437 239 A N 1.023 123.955 122.820 0.187 0.000 1.858 239 A HA -0.076 4.244 4.320 0.001 0.000 0.216 239 A C 2.505 180.150 177.584 0.102 0.000 1.190 239 A CA 1.721 53.882 52.037 0.208 0.000 0.617 239 A CB -1.074 18.146 19.000 0.366 0.000 0.827 239 A HN 0.585 nan 8.150 nan 0.000 0.443 240 A N -0.001 122.868 122.820 0.082 0.000 1.903 240 A HA -0.275 4.046 4.320 0.001 0.000 0.219 240 A C 1.917 179.371 177.584 -0.217 0.000 1.191 240 A CA 2.001 53.851 52.037 -0.311 0.000 0.638 240 A CB -0.733 18.136 19.000 -0.218 0.000 0.823 240 A HN 0.687 nan 8.150 nan 0.000 0.451 241 E N -0.360 119.778 120.200 -0.105 0.000 2.017 241 E HA -0.177 4.173 4.350 0.001 0.000 0.193 241 E C 1.973 178.533 176.600 -0.067 0.000 0.997 241 E CA 1.385 57.727 56.400 -0.097 0.000 0.804 241 E CB -0.407 29.249 29.700 -0.072 0.000 0.757 241 E HN 0.704 nan 8.360 nan 0.000 0.448 242 I N 1.059 121.613 120.570 -0.027 0.000 2.248 242 I HA -0.283 3.888 4.170 0.001 0.000 0.248 242 I C 2.489 178.607 176.117 0.001 0.000 1.107 242 I CA 0.869 62.169 61.300 0.000 0.000 1.373 242 I CB -0.343 37.673 38.000 0.028 0.000 1.055 242 I HN 0.060 nan 8.210 nan 0.000 0.418 243 R N 0.892 121.370 120.500 -0.036 0.000 2.096 243 R HA -0.110 4.230 4.340 0.001 0.000 0.235 243 R C 2.339 178.640 176.300 0.000 0.000 1.127 243 R CA 1.620 57.700 56.100 -0.035 0.000 0.968 243 R CB -0.841 29.363 30.300 -0.161 0.000 0.861 243 R HN 0.415 nan 8.270 nan 0.000 0.440 244 A N 1.093 123.877 122.820 -0.060 0.000 1.872 244 A HA -0.115 4.206 4.320 0.001 0.000 0.214 244 A C 2.192 179.818 177.584 0.070 0.000 1.187 244 A CA 0.979 52.996 52.037 -0.035 0.000 0.614 244 A CB -0.571 18.349 19.000 -0.134 0.000 0.826 244 A HN 0.227 nan 8.150 nan 0.000 0.442 245 L N 0.355 121.595 121.223 0.027 0.000 2.012 245 L HA -0.206 4.135 4.340 0.001 0.000 0.210 245 L C 1.587 178.513 176.870 0.094 0.000 1.073 245 L CA 2.772 57.637 54.840 0.042 0.000 0.748 245 L CB -0.816 41.248 42.059 0.009 0.000 0.891 245 L HN 0.338 nan 8.230 nan 0.000 0.431 246 D N -1.325 119.130 120.400 0.091 0.000 2.144 246 D HA -0.248 4.393 4.640 0.001 0.000 0.199 246 D C 1.779 178.154 176.300 0.125 0.000 0.984 246 D CA 1.462 55.518 54.000 0.094 0.000 0.834 246 D CB -0.482 40.364 40.800 0.076 0.000 0.955 246 D HN 0.614 nan 8.370 nan 0.000 0.465 247 W N 1.140 122.443 121.300 0.004 0.000 2.374 247 W HA -0.077 4.584 4.660 0.001 0.000 0.288 247 W C 1.885 178.450 176.519 0.076 0.000 1.218 247 W CA 1.006 58.360 57.345 0.014 0.000 1.245 247 W CB -0.147 29.297 29.460 -0.026 0.000 1.126 247 W HN -0.060 nan 8.180 nan 0.000 0.545 248 L N -0.403 121.021 121.223 0.334 0.000 2.023 248 L HA -0.197 4.144 4.340 0.001 0.000 0.205 248 L C 2.476 179.590 176.870 0.407 0.000 1.073 248 L CA 1.068 56.124 54.840 0.361 0.000 0.745 248 L CB -1.146 41.028 42.059 0.191 0.000 0.900 248 L HN -0.044 nan 8.230 nan 0.000 0.435 249 L N -0.280 121.098 121.223 0.257 0.000 2.129 249 L HA -0.247 4.094 4.340 0.001 0.000 0.212 249 L C 2.502 179.434 176.870 0.103 0.000 1.087 249 L CA 1.350 56.314 54.840 0.207 0.000 0.757 249 L CB -0.493 41.639 42.059 0.121 0.000 0.896 249 L HN 0.335 nan 8.230 nan 0.000 0.434 250 E N -0.146 120.054 120.200 -0.001 0.000 2.072 250 E HA -0.173 4.177 4.350 0.001 0.000 0.191 250 E C 2.135 178.644 176.600 -0.152 0.000 0.985 250 E CA 0.912 57.243 56.400 -0.116 0.000 0.801 250 E CB 0.061 29.613 29.700 -0.247 0.000 0.750 250 E HN 0.403 nan 8.360 nan 0.000 0.452 251 R N 0.784 121.169 120.500 -0.193 0.000 2.317 251 R HA 0.056 4.397 4.340 0.001 0.000 0.208 251 R C 0.514 176.868 176.300 0.090 0.000 0.914 251 R CA -0.173 55.874 56.100 -0.089 0.000 1.060 251 R CB 0.136 30.225 30.300 -0.352 0.000 1.015 251 R HN 0.123 nan 8.270 nan 0.000 0.498 252 Q N 1.462 121.180 119.800 -0.137 0.000 2.308 252 Q HA -0.008 4.333 4.340 0.001 0.000 0.313 252 Q C -0.456 175.230 176.000 -0.523 0.000 1.075 252 Q CA -0.159 55.163 55.803 -0.802 0.000 0.995 252 Q CB 0.650 28.918 28.738 -0.784 0.000 1.107 252 Q HN 0.234 nan 8.270 nan 0.000 0.380 253 A N 3.640 126.095 122.820 -0.607 0.000 2.366 253 A HA 0.319 4.640 4.320 0.001 0.000 0.250 253 A C 1.186 178.544 177.584 -0.377 0.000 1.099 253 A CA 0.188 51.988 52.037 -0.396 0.000 0.794 253 A CB 0.048 18.859 19.000 -0.314 0.000 1.056 253 A HN 1.046 nan 8.150 nan 0.000 0.499 254 G N -0.135 108.496 108.800 -0.282 0.000 2.408 254 G HA2 -0.178 3.782 3.960 0.001 0.000 0.217 254 G HA3 -0.178 3.782 3.960 0.001 0.000 0.217 254 G C 0.657 175.449 174.900 -0.181 0.000 1.150 254 G CA 1.255 46.224 45.100 -0.218 0.000 0.776 254 G HN 0.884 nan 8.290 nan 0.000 0.542 255 D N -0.659 119.641 120.400 -0.167 0.000 2.352 255 D HA 0.250 4.891 4.640 0.001 0.000 0.232 255 D C 1.700 177.911 176.300 -0.148 0.000 1.055 255 D CA 0.674 54.618 54.000 -0.093 0.000 0.891 255 D CB -0.515 40.300 40.800 0.025 0.000 0.897 255 D HN 0.471 nan 8.370 nan 0.000 0.529 256 G N -0.425 108.196 108.800 -0.298 0.000 2.175 256 G HA2 -0.303 3.657 3.960 0.001 0.000 0.244 256 G HA3 -0.303 3.657 3.960 0.001 0.000 0.244 256 G C 0.579 175.036 174.900 -0.739 0.000 0.982 256 G CA 0.545 45.433 45.100 -0.352 0.000 0.641 256 G HN 0.814 nan 8.290 nan 0.000 0.527 257 S N -1.057 113.975 115.700 -1.113 0.000 2.566 257 S HA 0.759 5.230 4.470 0.001 0.000 0.277 257 S C -0.170 173.851 174.600 -0.964 0.000 1.150 257 S CA -0.438 56.671 58.200 -1.818 0.000 1.032 257 S CB 1.294 63.409 63.200 -1.809 0.000 1.157 257 S HN 0.680 nan 8.310 nan 0.000 0.507 258 W N -0.206 120.810 121.300 -0.474 0.000 2.802 258 W HA 0.470 5.131 4.660 0.001 0.000 0.331 258 W C 0.708 177.247 176.519 0.033 0.000 1.021 258 W CA -0.055 57.248 57.345 -0.071 0.000 1.259 258 W CB 1.163 30.661 29.460 0.064 0.000 1.323 258 W HN 1.304 nan 8.180 nan 0.000 0.432 259 G N 1.526 110.469 108.800 0.239 0.000 2.245 259 G HA2 -0.246 3.714 3.960 0.001 0.000 0.264 259 G HA3 -0.246 3.714 3.960 0.001 0.000 0.264 259 G C 1.016 176.022 174.900 0.175 0.000 0.985 259 G CA 0.810 46.004 45.100 0.155 0.000 0.625 259 G HN 1.713 nan 8.290 nan 0.000 0.536 260 G N -0.491 108.403 108.800 0.157 0.000 2.176 260 G HA2 -0.031 3.929 3.960 0.001 0.000 0.252 260 G HA3 -0.031 3.929 3.960 0.001 0.000 0.252 260 G C 0.348 175.475 174.900 0.377 0.000 1.024 260 G CA 1.046 46.299 45.100 0.255 0.000 0.755 260 G HN 2.248 nan 8.290 nan 0.000 0.507 261 I N -4.816 115.961 120.570 0.345 0.000 2.730 261 I HA 0.597 4.767 4.170 0.001 0.000 0.298 261 I C 1.073 177.434 176.117 0.408 0.000 1.089 261 I CA -1.223 60.290 61.300 0.356 0.000 1.041 261 I CB 1.676 39.830 38.000 0.257 0.000 1.235 261 I HN -0.049 nan 8.210 nan 0.000 0.423 262 Q N 3.209 123.194 119.800 0.309 0.000 2.045 262 Q HA -0.100 4.241 4.340 0.001 0.000 0.206 262 Q C -0.986 174.976 176.000 -0.063 0.000 0.991 262 Q CA 2.665 58.535 55.803 0.112 0.000 0.851 262 Q CB -1.289 27.354 28.738 -0.158 0.000 0.911 262 Q HN 0.683 nan 8.270 nan 0.000 0.418 263 P HA -0.173 nan 4.420 nan 0.000 0.205 263 P C -1.557 175.729 177.300 -0.022 0.000 1.164 263 P CA 2.709 65.706 63.100 -0.172 0.000 0.938 263 P CB -1.340 30.385 31.700 0.042 0.000 0.777 264 P HA -0.238 nan 4.420 nan 0.000 0.216 264 P C 1.549 179.036 177.300 0.312 0.000 1.153 264 P CA 1.641 64.929 63.100 0.312 0.000 0.858 264 P CB -0.613 31.266 31.700 0.298 0.000 0.789 265 W N 0.848 122.287 121.300 0.232 0.000 2.317 265 W HA -0.219 4.442 4.660 0.001 0.000 0.318 265 W C 2.148 178.808 176.519 0.235 0.000 1.227 265 W CA 1.175 58.732 57.345 0.353 0.000 1.269 265 W CB -1.707 27.992 29.460 0.399 0.000 1.155 265 W HN -0.146 nan 8.180 nan 0.000 0.484 266 F N -0.621 119.340 119.950 0.019 0.000 2.102 266 F HA -0.217 4.311 4.527 0.001 0.000 0.298 266 F C 2.309 178.042 175.800 -0.112 0.000 1.105 266 F CA 1.855 59.753 58.000 -0.171 0.000 1.239 266 F CB -1.650 37.157 39.000 -0.322 0.000 0.991 266 F HN -0.155 nan 8.300 nan 0.000 0.474 267 Y N -0.299 120.142 120.300 0.234 0.000 2.242 267 Y HA -0.052 4.499 4.550 0.001 0.000 0.291 267 Y C 2.476 178.357 175.900 -0.031 0.000 1.137 267 Y CA 0.467 58.597 58.100 0.050 0.000 1.181 267 Y CB -1.550 36.916 38.460 0.010 0.000 0.989 267 Y HN 0.023 nan 8.280 nan 0.000 0.527 268 A N 0.121 122.946 122.820 0.009 0.000 1.933 268 A HA -0.130 4.190 4.320 0.001 0.000 0.218 268 A C 2.290 179.788 177.584 -0.142 0.000 1.175 268 A CA 1.416 53.261 52.037 -0.320 0.000 0.628 268 A CB -1.060 17.278 19.000 -1.104 0.000 0.814 268 A HN 0.469 nan 8.150 nan 0.000 0.444 269 L N -0.557 120.695 121.223 0.049 0.000 2.056 269 L HA -0.158 4.182 4.340 0.001 0.000 0.207 269 L C 2.438 179.431 176.870 0.205 0.000 1.078 269 L CA 1.164 56.121 54.840 0.195 0.000 0.749 269 L CB -0.445 41.698 42.059 0.140 0.000 0.901 269 L HN 0.396 nan 8.230 nan 0.000 0.433 270 I N -0.342 120.301 120.570 0.122 0.000 2.315 270 I HA -0.259 3.912 4.170 0.001 0.000 0.248 270 I C 2.804 178.973 176.117 0.088 0.000 1.117 270 I CA 1.030 62.386 61.300 0.095 0.000 1.404 270 I CB -0.525 37.538 38.000 0.106 0.000 1.071 270 I HN 0.191 nan 8.210 nan 0.000 0.419 271 A N 1.323 124.180 122.820 0.061 0.000 1.883 271 A HA -0.170 4.151 4.320 0.001 0.000 0.217 271 A C 2.295 179.890 177.584 0.019 0.000 1.186 271 A CA 1.493 53.540 52.037 0.017 0.000 0.624 271 A CB -0.916 18.064 19.000 -0.033 0.000 0.822 271 A HN 0.387 nan 8.150 nan 0.000 0.444 272 L N -0.890 120.365 121.223 0.053 0.000 2.131 272 L HA -0.174 4.166 4.340 0.001 0.000 0.210 272 L C 2.543 179.394 176.870 -0.032 0.000 1.092 272 L CA 1.670 56.543 54.840 0.055 0.000 0.759 272 L CB -0.339 41.853 42.059 0.220 0.000 0.903 272 L HN 0.363 nan 8.230 nan 0.000 0.435 273 K N 0.766 121.161 120.400 -0.009 0.000 2.103 273 K HA -0.121 4.199 4.320 0.001 0.000 0.204 273 K C 1.884 178.469 176.600 -0.026 0.000 1.052 273 K CA 1.343 57.566 56.287 -0.107 0.000 0.945 273 K CB -0.127 32.328 32.500 -0.075 0.000 0.722 273 K HN 0.040 nan 8.250 nan 0.000 0.443 274 I N 1.053 121.648 120.570 0.041 0.000 2.286 274 I HA -0.184 3.986 4.170 0.001 0.000 0.248 274 I C 1.382 177.498 176.117 -0.002 0.000 1.115 274 I CA 1.162 62.497 61.300 0.058 0.000 1.392 274 I CB -0.760 37.264 38.000 0.040 0.000 1.065 274 I HN 0.143 nan 8.210 nan 0.000 0.418 275 L N 1.104 122.313 121.223 -0.024 0.000 2.779 275 L HA 0.073 4.414 4.340 0.001 0.000 0.239 275 L C 0.029 176.871 176.870 -0.047 0.000 1.245 275 L CA -0.090 54.729 54.840 -0.035 0.000 1.064 275 L CB -0.792 41.247 42.059 -0.033 0.000 1.350 275 L HN 0.215 nan 8.230 nan 0.000 0.455 276 D N 0.889 121.251 120.400 -0.062 0.000 2.702 276 D HA -0.244 4.397 4.640 0.001 0.000 0.233 276 D C 0.633 176.876 176.300 -0.095 0.000 1.164 276 D CA 1.226 55.177 54.000 -0.082 0.000 0.638 276 D CB -0.388 40.383 40.800 -0.049 0.000 1.041 276 D HN 0.465 nan 8.370 nan 0.000 0.422 277 M N -0.447 119.073 119.600 -0.133 0.000 2.869 277 M HA 0.027 4.507 4.480 0.001 0.000 0.338 277 M C 1.601 177.763 176.300 -0.231 0.000 1.227 277 M CA -0.076 55.171 55.300 -0.088 0.000 0.946 277 M CB 0.460 33.042 32.600 -0.031 0.000 1.299 277 M HN -0.035 nan 8.290 nan 0.000 0.518 278 T N -2.784 111.493 114.554 -0.460 0.000 2.995 278 T HA -0.064 4.286 4.350 0.001 0.000 0.269 278 T C 1.352 175.904 174.700 -0.247 0.000 1.091 278 T CA 0.872 62.439 62.100 -0.889 0.000 1.128 278 T CB -0.071 68.333 68.868 -0.773 0.000 0.891 278 T HN 0.471 nan 8.240 nan 0.000 0.492 279 Q N 0.406 120.165 119.800 -0.068 0.000 2.222 279 Q HA 0.145 4.486 4.340 0.001 0.000 0.206 279 Q C -0.069 176.001 176.000 0.117 0.000 0.877 279 Q CA -0.209 55.620 55.803 0.044 0.000 0.958 279 Q CB 0.208 28.951 28.738 0.008 0.000 1.075 279 Q HN 0.601 nan 8.270 nan 0.000 0.483 280 H N 0.373 119.497 119.070 0.089 0.000 2.472 280 H HA 0.135 4.691 4.556 0.001 0.000 0.335 280 H C -1.992 173.448 175.328 0.188 0.000 1.136 280 H CA -2.067 54.056 56.048 0.125 0.000 1.264 280 H CB 1.854 31.691 29.762 0.124 0.000 1.486 280 H HN -0.158 nan 8.280 nan 0.000 0.517 281 P HA -0.194 nan 4.420 nan 0.000 0.215 281 P C 1.160 178.670 177.300 0.349 0.000 1.163 281 P CA 2.615 65.806 63.100 0.152 0.000 0.894 281 P CB -0.039 31.652 31.700 -0.015 0.000 0.791 282 A N -1.354 121.821 122.820 0.592 0.000 1.917 282 A HA -0.245 4.075 4.320 0.001 0.000 0.219 282 A C 2.163 180.005 177.584 0.431 0.000 1.182 282 A CA 1.836 54.120 52.037 0.412 0.000 0.633 282 A CB -1.860 17.357 19.000 0.362 0.000 0.819 282 A HN 0.223 nan 8.150 nan 0.000 0.448 283 F N 0.604 120.760 119.950 0.343 0.000 2.163 283 F HA -0.100 4.428 4.527 0.001 0.000 0.297 283 F C 1.944 177.932 175.800 0.314 0.000 1.094 283 F CA 1.251 59.438 58.000 0.312 0.000 1.290 283 F CB -0.042 39.083 39.000 0.207 0.000 1.017 283 F HN 0.129 nan 8.300 nan 0.000 0.483 284 I N 0.805 121.607 120.570 0.388 0.000 2.113 284 I HA -0.280 3.891 4.170 0.001 0.000 0.238 284 I C 2.379 178.618 176.117 0.203 0.000 1.070 284 I CA 1.570 63.036 61.300 0.277 0.000 1.332 284 I CB -1.510 36.649 38.000 0.265 0.000 1.044 284 I HN 0.144 nan 8.210 nan 0.000 0.402 285 K N 1.503 122.010 120.400 0.178 0.000 2.063 285 K HA -0.135 4.186 4.320 0.001 0.000 0.208 285 K C 2.089 178.775 176.600 0.143 0.000 1.048 285 K CA 1.750 58.111 56.287 0.122 0.000 0.928 285 K CB -0.901 31.634 32.500 0.060 0.000 0.713 285 K HN 0.333 nan 8.250 nan 0.000 0.442 286 G N 0.254 109.164 108.800 0.182 0.000 2.422 286 G HA2 -0.269 3.692 3.960 0.001 0.000 0.218 286 G HA3 -0.269 3.692 3.960 0.001 0.000 0.218 286 G C 1.395 176.570 174.900 0.459 0.000 1.146 286 G CA 0.773 46.091 45.100 0.364 0.000 0.769 286 G HN 0.543 nan 8.290 nan 0.000 0.547 287 W N 2.175 123.446 121.300 -0.048 0.000 2.408 287 W HA -0.073 4.587 4.660 0.001 0.000 0.311 287 W C 2.427 178.968 176.519 0.037 0.000 1.190 287 W CA 1.483 58.744 57.345 -0.141 0.000 1.321 287 W CB -0.010 29.231 29.460 -0.365 0.000 1.143 287 W HN 0.519 nan 8.180 nan 0.000 0.501 288 E N -0.148 120.047 120.200 -0.008 0.000 2.347 288 E HA -0.034 4.317 4.350 0.001 0.000 0.196 288 E C 2.169 178.785 176.600 0.026 0.000 1.008 288 E CA 1.138 57.481 56.400 -0.095 0.000 0.852 288 E CB -0.998 28.747 29.700 0.075 0.000 0.783 288 E HN 0.234 nan 8.360 nan 0.000 0.505 289 G N 1.844 110.757 108.800 0.188 0.000 2.471 289 G HA2 -0.183 3.777 3.960 0.001 0.000 0.219 289 G HA3 -0.183 3.777 3.960 0.001 0.000 0.219 289 G C 1.570 176.793 174.900 0.537 0.000 1.125 289 G CA 0.405 45.714 45.100 0.348 0.000 0.775 289 G HN 0.157 nan 8.290 nan 0.000 0.548 290 L N 0.263 121.681 121.223 0.325 0.000 2.043 290 L HA -0.144 4.197 4.340 0.001 0.000 0.212 290 L C 2.905 179.886 176.870 0.185 0.000 1.075 290 L CA 1.245 56.125 54.840 0.067 0.000 0.752 290 L CB -0.304 41.589 42.059 -0.276 0.000 0.891 290 L HN 0.160 nan 8.230 nan 0.000 0.432 291 E N -0.102 120.158 120.200 0.100 0.000 2.187 291 E HA -0.277 4.073 4.350 0.001 0.000 0.199 291 E C 2.101 178.797 176.600 0.160 0.000 1.004 291 E CA 1.238 57.712 56.400 0.125 0.000 0.813 291 E CB -0.441 29.296 29.700 0.063 0.000 0.736 291 E HN 0.341 nan 8.360 nan 0.000 0.468 292 L N -0.018 121.350 121.223 0.241 0.000 2.187 292 L HA -0.187 4.154 4.340 0.001 0.000 0.213 292 L C 1.794 178.738 176.870 0.123 0.000 1.100 292 L CA 1.563 56.536 54.840 0.221 0.000 0.765 292 L CB -0.374 41.838 42.059 0.256 0.000 0.904 292 L HN 0.047 nan 8.230 nan 0.000 0.437 293 Y N -0.502 119.756 120.300 -0.071 0.000 2.517 293 Y HA 0.332 4.883 4.550 0.001 0.000 0.281 293 Y C 1.799 177.295 175.900 -0.672 0.000 1.125 293 Y CA -0.123 57.749 58.100 -0.382 0.000 1.283 293 Y CB -0.924 37.081 38.460 -0.757 0.000 1.042 293 Y HN 0.152 nan 8.280 nan 0.000 0.547 294 G N 0.249 108.826 108.800 -0.372 0.000 2.606 294 G HA2 0.426 4.386 3.960 0.001 0.000 0.252 294 G HA3 0.426 4.386 3.960 0.001 0.000 0.252 294 G C -1.089 173.484 174.900 -0.545 0.000 1.206 294 G CA -0.117 44.651 45.100 -0.554 0.000 0.861 294 G HN -0.074 nan 8.290 nan 0.000 0.561 295 V N 1.009 120.395 119.914 -0.881 0.000 2.711 295 V HA 0.252 4.372 4.120 0.001 0.000 0.304 295 V C -0.762 175.055 176.094 -0.462 0.000 1.097 295 V CA -1.033 60.935 62.300 -0.552 0.000 0.906 295 V CB 1.960 33.476 31.823 -0.512 0.000 1.015 295 V HN 0.717 nan 8.190 nan 0.000 0.427 296 E N 4.330 124.409 120.200 -0.202 0.000 2.180 296 E HA 0.376 4.726 4.350 0.001 0.000 0.283 296 E C -0.723 175.762 176.600 -0.193 0.000 1.061 296 E CA -0.121 56.221 56.400 -0.096 0.000 0.861 296 E CB 1.563 31.245 29.700 -0.030 0.000 1.056 296 E HN 0.489 nan 8.360 nan 0.000 0.407 297 L N 3.100 124.165 121.223 -0.263 0.000 2.292 297 L HA 0.062 4.402 4.340 0.001 0.000 0.284 297 L C 1.454 178.093 176.870 -0.385 0.000 1.065 297 L CA -0.494 54.096 54.840 -0.417 0.000 0.806 297 L CB 0.788 42.397 42.059 -0.749 0.000 1.175 297 L HN 0.462 nan 8.230 nan 0.000 0.431 298 D N 0.963 121.206 120.400 -0.261 0.000 2.228 298 D HA -0.317 4.324 4.640 0.001 0.000 0.203 298 D C 1.270 177.520 176.300 -0.084 0.000 0.988 298 D CA 1.506 55.429 54.000 -0.129 0.000 0.864 298 D CB -0.342 40.429 40.800 -0.048 0.000 0.928 298 D HN 0.628 nan 8.370 nan 0.000 0.469 299 Y N -1.749 118.519 120.300 -0.053 0.000 2.465 299 Y HA 0.511 5.061 4.550 0.001 0.000 0.311 299 Y C 1.665 177.547 175.900 -0.029 0.000 1.204 299 Y CA -0.786 57.275 58.100 -0.064 0.000 1.272 299 Y CB -0.296 38.073 38.460 -0.153 0.000 1.083 299 Y HN 0.083 nan 8.280 nan 0.000 0.508 300 G N -0.801 107.949 108.800 -0.082 0.000 2.195 300 G HA2 -0.233 3.727 3.960 0.001 0.000 0.246 300 G HA3 -0.233 3.727 3.960 0.001 0.000 0.246 300 G C 0.764 175.656 174.900 -0.012 0.000 0.984 300 G CA -0.158 44.942 45.100 -0.000 0.000 0.633 300 G HN 0.980 nan 8.290 nan 0.000 0.525 301 G N -1.224 107.445 108.800 -0.218 0.000 2.563 301 G HA2 0.489 4.450 3.960 0.001 0.000 0.283 301 G HA3 0.489 4.450 3.960 0.001 0.000 0.283 301 G C -0.652 174.247 174.900 -0.002 0.000 1.309 301 G CA -0.091 44.992 45.100 -0.027 0.000 1.022 301 G HN 1.088 nan 8.290 nan 0.000 0.501 302 W N 0.514 121.719 121.300 -0.159 0.000 3.439 302 W HA 0.593 5.254 4.660 0.001 0.000 0.323 302 W C -0.549 175.704 176.519 -0.442 0.000 1.174 302 W CA -1.010 56.184 57.345 -0.252 0.000 1.224 302 W CB 1.426 30.778 29.460 -0.179 0.000 1.348 302 W HN 0.719 nan 8.180 nan 0.000 0.498 303 M N 4.877 123.796 119.600 -1.136 0.000 2.644 303 M HA 0.717 5.198 4.480 0.001 0.000 0.304 303 M C -2.112 173.342 176.300 -1.411 0.000 1.215 303 M CA -0.865 53.693 55.300 -1.236 0.000 0.871 303 M CB 2.843 34.846 32.600 -0.994 0.000 1.740 303 M HN 0.401 nan 8.290 nan 0.000 0.464 304 F N 1.705 121.042 119.950 -1.022 0.000 2.467 304 F HA 0.467 4.995 4.527 0.001 0.000 0.336 304 F C -0.628 175.003 175.800 -0.281 0.000 1.123 304 F CA -0.316 57.274 58.000 -0.683 0.000 0.964 304 F CB 1.859 40.607 39.000 -0.421 0.000 1.136 304 F HN 0.694 nan 8.300 nan 0.000 0.447 305 Q N 4.691 124.322 119.800 -0.282 0.000 2.313 305 Q HA 0.326 4.666 4.340 0.001 0.000 0.266 305 Q C 0.961 177.156 176.000 0.325 0.000 0.989 305 Q CA 0.237 56.042 55.803 0.003 0.000 0.890 305 Q CB 1.507 30.215 28.738 -0.050 0.000 1.200 305 Q HN 0.909 nan 8.270 nan 0.000 0.396 306 A N 2.542 125.545 122.820 0.306 0.000 2.019 306 A HA -0.077 4.244 4.320 0.001 0.000 0.219 306 A C 0.984 178.814 177.584 0.409 0.000 1.164 306 A CA 1.560 53.815 52.037 0.364 0.000 0.644 306 A CB 0.246 19.480 19.000 0.390 0.000 0.805 306 A HN 0.594 nan 8.150 nan 0.000 0.449 307 S N -2.469 113.474 115.700 0.405 0.000 2.636 307 S HA 0.559 5.029 4.470 0.001 0.000 0.266 307 S C -1.459 173.353 174.600 0.354 0.000 1.147 307 S CA -0.202 58.301 58.200 0.505 0.000 0.815 307 S CB 0.519 64.005 63.200 0.477 0.000 1.119 307 S HN 0.840 nan 8.310 nan 0.000 0.470 308 I N 0.660 121.373 120.570 0.238 0.000 2.569 308 I HA 0.696 4.867 4.170 0.001 0.000 0.296 308 I C 0.079 175.884 176.117 -0.519 0.000 1.028 308 I CA -0.734 60.547 61.300 -0.033 0.000 1.082 308 I CB 2.400 40.281 38.000 -0.198 0.000 1.264 308 I HN 0.577 nan 8.210 nan 0.000 0.429 309 S N 2.829 118.218 115.700 -0.518 0.000 2.562 309 S HA 0.366 4.837 4.470 0.001 0.000 0.246 309 S C -1.386 172.931 174.600 -0.473 0.000 1.056 309 S CA -0.916 56.712 58.200 -0.954 0.000 1.042 309 S CB -0.584 62.370 63.200 -0.410 0.000 0.822 309 S HN 0.687 nan 8.310 nan 0.000 0.465 310 P HA -0.174 nan 4.420 nan 0.000 0.215 310 P C 1.567 178.766 177.300 -0.168 0.000 1.163 310 P CA 1.167 63.879 63.100 -0.647 0.000 0.894 310 P CB -0.111 30.561 31.700 -1.713 0.000 0.791 311 V N -0.218 119.637 119.914 -0.098 0.000 2.287 311 V HA -0.216 3.905 4.120 0.001 0.000 0.248 311 V C 2.589 178.805 176.094 0.203 0.000 1.053 311 V CA 2.085 64.501 62.300 0.194 0.000 1.027 311 V CB -1.589 30.339 31.823 0.175 0.000 0.646 311 V HN 0.231 nan 8.190 nan 0.000 0.447 312 W N 1.095 122.382 121.300 -0.022 0.000 2.333 312 W HA -0.228 4.432 4.660 0.001 0.000 0.316 312 W C 2.283 178.846 176.519 0.074 0.000 1.215 312 W CA 2.112 59.513 57.345 0.092 0.000 1.278 312 W CB -0.233 29.394 29.460 0.278 0.000 1.154 312 W HN 0.359 nan 8.180 nan 0.000 0.486 313 D N -0.227 120.256 120.400 0.139 0.000 2.104 313 D HA -0.175 4.465 4.640 0.001 0.000 0.194 313 D C 2.069 178.340 176.300 -0.047 0.000 0.994 313 D CA 2.434 56.462 54.000 0.047 0.000 0.830 313 D CB -0.816 40.115 40.800 0.220 0.000 0.959 313 D HN 0.121 nan 8.370 nan 0.000 0.452 314 T N 0.317 114.933 114.554 0.103 0.000 2.684 314 T HA -0.112 4.238 4.350 0.001 0.000 0.267 314 T C 1.989 176.657 174.700 -0.053 0.000 1.036 314 T CA 1.552 63.767 62.100 0.191 0.000 1.148 314 T CB -0.723 68.291 68.868 0.244 0.000 0.863 314 T HN 0.270 nan 8.240 nan 0.000 0.436 315 G N 1.477 110.198 108.800 -0.132 0.000 2.491 315 G HA2 -0.175 3.786 3.960 0.001 0.000 0.218 315 G HA3 -0.175 3.786 3.960 0.001 0.000 0.218 315 G C 1.487 176.079 174.900 -0.513 0.000 1.180 315 G CA 0.726 45.647 45.100 -0.299 0.000 0.774 315 G HN 0.455 nan 8.290 nan 0.000 0.562 316 L N 0.630 121.460 121.223 -0.656 0.000 2.072 316 L HA 0.023 4.364 4.340 0.001 0.000 0.205 316 L C 3.446 179.902 176.870 -0.691 0.000 1.079 316 L CA 0.820 55.200 54.840 -0.767 0.000 0.752 316 L CB -0.558 40.952 42.059 -0.916 0.000 0.906 316 L HN 0.300 nan 8.230 nan 0.000 0.436 317 A N 0.192 122.594 122.820 -0.696 0.000 1.884 317 A HA -0.218 4.103 4.320 0.001 0.000 0.219 317 A C 2.372 179.473 177.584 -0.805 0.000 1.197 317 A CA 2.366 53.825 52.037 -0.963 0.000 0.637 317 A CB -1.049 16.958 19.000 -1.656 0.000 0.827 317 A HN 0.189 nan 8.150 nan 0.000 0.450 318 V N 0.003 119.566 119.914 -0.585 0.000 2.261 318 V HA -0.274 3.846 4.120 0.001 0.000 0.246 318 V C 2.586 178.447 176.094 -0.388 0.000 1.047 318 V CA 2.058 64.136 62.300 -0.369 0.000 1.015 318 V CB -0.796 30.905 31.823 -0.204 0.000 0.642 318 V HN 0.584 nan 8.190 nan 0.000 0.446 319 L N -0.113 120.810 121.223 -0.500 0.000 2.079 319 L HA -0.207 4.134 4.340 0.001 0.000 0.210 319 L C 2.655 179.284 176.870 -0.402 0.000 1.081 319 L CA 1.571 56.084 54.840 -0.545 0.000 0.752 319 L CB -0.754 40.799 42.059 -0.845 0.000 0.896 319 L HN 0.394 nan 8.230 nan 0.000 0.433 320 A N 0.065 122.634 122.820 -0.419 0.000 1.854 320 A HA -0.117 4.204 4.320 0.001 0.000 0.214 320 A C 2.205 179.649 177.584 -0.232 0.000 1.192 320 A CA 1.093 52.940 52.037 -0.317 0.000 0.611 320 A CB -0.680 18.097 19.000 -0.372 0.000 0.832 320 A HN 0.323 nan 8.150 nan 0.000 0.442 321 L N -0.889 120.171 121.223 -0.272 0.000 2.187 321 L HA -0.194 4.146 4.340 0.001 0.000 0.213 321 L C 2.880 179.671 176.870 -0.131 0.000 1.100 321 L CA 0.917 55.642 54.840 -0.192 0.000 0.765 321 L CB -0.449 41.475 42.059 -0.225 0.000 0.904 321 L HN 0.308 nan 8.230 nan 0.000 0.437 322 R N 0.065 120.477 120.500 -0.146 0.000 2.052 322 R HA 0.006 4.347 4.340 0.001 0.000 0.226 322 R C 2.330 178.595 176.300 -0.058 0.000 1.145 322 R CA 1.404 57.450 56.100 -0.089 0.000 0.952 322 R CB -0.970 29.268 30.300 -0.103 0.000 0.847 322 R HN 0.278 nan 8.270 nan 0.000 0.431 323 A N 1.180 123.954 122.820 -0.077 0.000 2.076 323 A HA -0.097 4.224 4.320 0.001 0.000 0.220 323 A C 2.204 179.775 177.584 -0.021 0.000 1.160 323 A CA 1.825 53.840 52.037 -0.037 0.000 0.653 323 A CB -0.424 18.550 19.000 -0.043 0.000 0.801 323 A HN 0.378 nan 8.150 nan 0.000 0.455 324 A N -2.430 120.370 122.820 -0.034 0.000 2.016 324 A HA 0.408 4.729 4.320 0.001 0.000 0.217 324 A C 1.866 179.462 177.584 0.019 0.000 1.162 324 A CA 1.752 53.787 52.037 -0.003 0.000 0.662 324 A CB -0.342 18.650 19.000 -0.014 0.000 0.812 324 A HN 1.560 nan 8.150 nan 0.000 0.450 325 G N -1.620 107.187 108.800 0.011 0.000 3.876 325 G HA2 -0.043 3.918 3.960 0.001 0.000 0.203 325 G HA3 -0.043 3.918 3.960 0.001 0.000 0.203 325 G C 0.191 175.118 174.900 0.043 0.000 1.162 325 G CA -0.232 44.888 45.100 0.033 0.000 0.903 325 G HN 0.273 nan 8.290 nan 0.000 0.390 326 L N 2.677 123.924 121.223 0.040 0.000 2.605 326 L HA 0.137 4.477 4.340 0.001 0.000 0.296 326 L C -1.747 175.184 176.870 0.102 0.000 1.255 326 L CA -0.681 54.216 54.840 0.094 0.000 0.879 326 L CB -0.097 41.956 42.059 -0.011 0.000 1.124 326 L HN 0.122 nan 8.230 nan 0.000 0.507 327 P HA -0.020 nan 4.420 nan 0.000 0.266 327 P C 0.071 177.434 177.300 0.106 0.000 1.195 327 P CA 0.024 63.190 63.100 0.109 0.000 0.768 327 P CB 0.769 32.523 31.700 0.091 0.000 0.838 328 A N 2.858 125.720 122.820 0.070 0.000 2.178 328 A HA -0.162 4.159 4.320 0.001 0.000 0.218 328 A C 1.027 178.655 177.584 0.074 0.000 1.157 328 A CA 1.874 53.947 52.037 0.061 0.000 0.689 328 A CB -1.085 17.945 19.000 0.051 0.000 0.787 328 A HN 0.699 nan 8.150 nan 0.000 0.465 329 D N -3.256 117.193 120.400 0.081 0.000 2.535 329 D HA 0.049 4.690 4.640 0.001 0.000 0.229 329 D C 0.420 176.773 176.300 0.088 0.000 1.238 329 D CA -0.565 53.479 54.000 0.073 0.000 0.824 329 D CB -0.544 40.283 40.800 0.045 0.000 1.045 329 D HN 0.332 nan 8.370 nan 0.000 0.500 330 H N 2.349 121.434 119.070 0.024 0.000 3.125 330 H HA -0.074 4.483 4.556 0.001 0.000 0.310 330 H C 1.102 176.444 175.328 0.022 0.000 0.980 330 H CA 1.092 57.154 56.048 0.023 0.000 1.422 330 H CB 0.930 30.708 29.762 0.026 0.000 1.432 330 H HN 0.341 nan 8.280 nan 0.000 0.577 331 D N 4.319 124.741 120.400 0.036 0.000 2.265 331 D HA -0.192 4.449 4.640 0.001 0.000 0.208 331 D C 1.703 178.108 176.300 0.174 0.000 0.977 331 D CA 0.695 54.743 54.000 0.080 0.000 0.871 331 D CB 0.131 40.925 40.800 -0.010 0.000 0.925 331 D HN 0.333 nan 8.370 nan 0.000 0.485 332 R N 0.187 120.934 120.500 0.413 0.000 2.127 332 R HA 0.239 4.579 4.340 0.001 0.000 0.217 332 R C 2.368 178.727 176.300 0.099 0.000 1.074 332 R CA 0.388 56.601 56.100 0.188 0.000 0.991 332 R CB -0.451 29.933 30.300 0.140 0.000 0.895 332 R HN 0.213 nan 8.270 nan 0.000 0.450 333 L N -0.199 121.104 121.223 0.133 0.000 2.478 333 L HA 0.004 4.345 4.340 0.001 0.000 0.223 333 L C 1.567 178.503 176.870 0.110 0.000 1.140 333 L CA 0.243 55.147 54.840 0.106 0.000 0.842 333 L CB 0.013 42.112 42.059 0.068 0.000 0.953 333 L HN 0.003 nan 8.230 nan 0.000 0.452 334 V N -0.800 119.181 119.914 0.111 0.000 2.535 334 V HA -0.130 3.991 4.120 0.001 0.000 0.246 334 V C 2.435 178.583 176.094 0.091 0.000 1.045 334 V CA 1.043 63.400 62.300 0.095 0.000 1.058 334 V CB -0.342 31.530 31.823 0.082 0.000 0.689 334 V HN 0.324 nan 8.190 nan 0.000 0.461 335 K N 0.793 121.232 120.400 0.064 0.000 2.103 335 K HA -0.143 4.177 4.320 0.001 0.000 0.207 335 K C 2.210 178.865 176.600 0.092 0.000 1.048 335 K CA 1.658 57.971 56.287 0.044 0.000 0.930 335 K CB -0.593 31.880 32.500 -0.045 0.000 0.716 335 K HN 0.497 nan 8.250 nan 0.000 0.444 336 A N 0.767 123.641 122.820 0.090 0.000 1.854 336 A HA -0.002 4.318 4.320 0.001 0.000 0.214 336 A C 2.515 180.250 177.584 0.252 0.000 1.192 336 A CA 1.785 53.925 52.037 0.172 0.000 0.611 336 A CB -1.108 18.020 19.000 0.213 0.000 0.832 336 A HN 0.349 nan 8.150 nan 0.000 0.442 337 G N -0.190 108.715 108.800 0.174 0.000 2.469 337 G HA2 -0.253 3.707 3.960 0.001 0.000 0.219 337 G HA3 -0.253 3.707 3.960 0.001 0.000 0.219 337 G C 1.398 176.399 174.900 0.169 0.000 1.150 337 G CA 1.157 46.348 45.100 0.152 0.000 0.763 337 G HN 0.504 nan 8.290 nan 0.000 0.561 338 E N -0.301 120.000 120.200 0.169 0.000 2.047 338 E HA -0.139 4.211 4.350 0.001 0.000 0.191 338 E C 2.060 178.770 176.600 0.185 0.000 0.987 338 E CA 0.843 57.332 56.400 0.149 0.000 0.799 338 E CB -0.417 29.360 29.700 0.128 0.000 0.752 338 E HN 0.677 nan 8.360 nan 0.000 0.449 339 W N 1.829 123.167 121.300 0.064 0.000 2.338 339 W HA -0.158 4.503 4.660 0.001 0.000 0.304 339 W C 2.049 178.625 176.519 0.094 0.000 1.212 339 W CA 1.392 58.783 57.345 0.077 0.000 1.264 339 W CB -0.318 29.206 29.460 0.108 0.000 1.142 339 W HN -0.024 nan 8.180 nan 0.000 0.512 340 L N -0.090 121.317 121.223 0.307 0.000 2.141 340 L HA -0.223 4.117 4.340 0.001 0.000 0.209 340 L C 2.416 179.382 176.870 0.160 0.000 1.094 340 L CA 0.975 55.925 54.840 0.183 0.000 0.763 340 L CB -0.872 41.303 42.059 0.193 0.000 0.908 340 L HN 0.057 nan 8.230 nan 0.000 0.437 341 L N -0.574 120.727 121.223 0.130 0.000 2.083 341 L HA -0.213 4.127 4.340 0.001 0.000 0.209 341 L C 1.957 178.831 176.870 0.007 0.000 1.083 341 L CA 1.023 55.933 54.840 0.117 0.000 0.752 341 L CB -0.538 41.575 42.059 0.090 0.000 0.899 341 L HN 0.304 nan 8.230 nan 0.000 0.433 342 D N -0.385 119.963 120.400 -0.086 0.000 2.348 342 D HA -0.089 4.552 4.640 0.001 0.000 0.216 342 D C 2.197 178.348 176.300 -0.250 0.000 0.970 342 D CA 0.531 54.427 54.000 -0.173 0.000 0.889 342 D CB 0.087 40.755 40.800 -0.220 0.000 0.912 342 D HN 0.204 nan 8.370 nan 0.000 0.524 343 R N 0.602 120.952 120.500 -0.250 0.000 2.127 343 R HA 0.036 4.377 4.340 0.001 0.000 0.217 343 R C 0.993 177.129 176.300 -0.273 0.000 1.074 343 R CA -0.021 55.925 56.100 -0.257 0.000 0.991 343 R CB -0.588 29.585 30.300 -0.211 0.000 0.895 343 R HN 0.324 nan 8.270 nan 0.000 0.450 344 Q N 1.480 121.049 119.800 -0.385 0.000 2.368 344 Q HA -0.092 4.249 4.340 0.001 0.000 0.331 344 Q C -0.464 175.201 176.000 -0.558 0.000 1.086 344 Q CA 0.417 55.674 55.803 -0.909 0.000 1.031 344 Q CB 0.441 28.768 28.738 -0.686 0.000 1.125 344 Q HN 0.012 nan 8.270 nan 0.000 0.389 345 I N 4.284 124.495 120.570 -0.600 0.000 2.395 345 I HA 0.076 4.246 4.170 0.001 0.000 0.289 345 I C 1.070 177.013 176.117 -0.290 0.000 1.023 345 I CA 0.080 61.161 61.300 -0.366 0.000 1.350 345 I CB 0.847 38.656 38.000 -0.319 0.000 1.409 345 I HN 0.842 nan 8.210 nan 0.000 0.507 346 T N 1.765 116.215 114.554 -0.173 0.000 3.200 346 T HA 0.374 4.724 4.350 0.001 0.000 0.284 346 T C 0.009 174.698 174.700 -0.019 0.000 1.009 346 T CA -0.357 61.686 62.100 -0.095 0.000 0.907 346 T CB -0.509 68.308 68.868 -0.086 0.000 1.120 346 T HN 0.435 nan 8.240 nan 0.000 0.534 347 V N -2.342 117.577 119.914 0.008 0.000 2.914 347 V HA 0.820 4.941 4.120 0.001 0.000 0.314 347 V C -3.231 172.933 176.094 0.118 0.000 1.084 347 V CA -3.213 59.117 62.300 0.050 0.000 0.963 347 V CB 1.534 33.376 31.823 0.032 0.000 1.025 347 V HN -0.111 nan 8.190 nan 0.000 0.432 348 P HA 0.399 nan 4.420 nan 0.000 0.268 348 P C 0.227 177.361 177.300 -0.278 0.000 1.204 348 P CA 0.760 63.724 63.100 -0.227 0.000 0.768 348 P CB 0.684 32.218 31.700 -0.277 0.000 0.842 349 G N 1.350 109.754 108.800 -0.660 0.000 2.938 349 G HA2 0.145 4.105 3.960 0.001 0.000 0.258 349 G HA3 0.145 4.105 3.960 0.001 0.000 0.258 349 G C 0.319 174.850 174.900 -0.615 0.000 1.356 349 G CA -0.368 44.484 45.100 -0.414 0.000 1.052 349 G HN 0.264 nan 8.290 nan 0.000 0.550 350 D N -0.300 119.942 120.400 -0.263 0.000 2.264 350 D HA -0.079 4.562 4.640 0.001 0.000 0.208 350 D C 2.252 178.613 176.300 0.103 0.000 0.966 350 D CA 0.910 54.932 54.000 0.036 0.000 0.864 350 D CB -0.067 40.961 40.800 0.379 0.000 0.933 350 D HN 0.632 nan 8.370 nan 0.000 0.499 351 W N 0.851 122.317 121.300 0.277 0.000 2.392 351 W HA 0.058 4.718 4.660 0.001 0.000 0.279 351 W C 1.667 178.306 176.519 0.200 0.000 1.225 351 W CA 0.692 58.210 57.345 0.289 0.000 1.233 351 W CB -1.013 28.691 29.460 0.406 0.000 1.122 351 W HN -0.086 nan 8.180 nan 0.000 0.561 352 A N 1.551 123.984 122.820 -0.646 0.000 2.070 352 A HA -0.044 4.277 4.320 0.001 0.000 0.220 352 A C 2.148 179.628 177.584 -0.174 0.000 1.159 352 A CA 1.881 53.605 52.037 -0.523 0.000 0.656 352 A CB -0.853 17.649 19.000 -0.831 0.000 0.800 352 A HN 0.138 nan 8.150 nan 0.000 0.453 353 V N -0.186 119.636 119.914 -0.152 0.000 2.688 353 V HA -0.173 3.947 4.120 0.001 0.000 0.256 353 V C 1.941 177.995 176.094 -0.066 0.000 1.084 353 V CA 1.973 64.170 62.300 -0.172 0.000 1.103 353 V CB -0.438 31.171 31.823 -0.357 0.000 0.688 353 V HN 0.448 nan 8.190 nan 0.000 0.480 354 K N -0.502 119.922 120.400 0.040 0.000 2.374 354 K HA 0.285 4.605 4.320 0.001 0.000 0.202 354 K C 0.435 177.095 176.600 0.101 0.000 1.040 354 K CA 0.025 56.353 56.287 0.069 0.000 1.085 354 K CB 0.853 33.416 32.500 0.105 0.000 0.873 354 K HN 0.229 nan 8.250 nan 0.000 0.539 355 R N 0.523 121.111 120.500 0.147 0.000 2.684 355 R HA 0.192 4.533 4.340 0.001 0.000 0.252 355 R C -2.439 173.973 176.300 0.187 0.000 1.628 355 R CA -1.212 55.005 56.100 0.195 0.000 1.622 355 R CB 0.995 31.482 30.300 0.311 0.000 1.418 355 R HN -0.141 nan 8.270 nan 0.000 0.697 356 P HA -0.040 nan 4.420 nan 0.000 0.222 356 P C 0.331 177.679 177.300 0.080 0.000 1.147 356 P CA 1.188 64.309 63.100 0.036 0.000 0.790 356 P CB 0.261 31.962 31.700 0.001 0.000 0.780 357 N N -1.273 117.494 118.700 0.111 0.000 2.235 357 N HA 0.091 4.831 4.740 0.001 0.000 0.209 357 N C -0.250 175.364 175.510 0.173 0.000 1.122 357 N CA -0.445 52.674 53.050 0.115 0.000 0.845 357 N CB 0.150 38.686 38.487 0.082 0.000 1.004 357 N HN 0.052 nan 8.380 nan 0.000 0.499 358 L N 2.000 123.386 121.223 0.271 0.000 2.290 358 L HA 0.225 4.565 4.340 0.001 0.000 0.284 358 L C -0.226 176.916 176.870 0.454 0.000 1.078 358 L CA -0.404 54.648 54.840 0.354 0.000 0.815 358 L CB 0.540 42.855 42.059 0.427 0.000 1.162 358 L HN -0.176 nan 8.230 nan 0.000 0.435 359 K N 6.301 126.908 120.400 0.344 0.000 2.339 359 K HA 0.313 4.634 4.320 0.001 0.000 0.286 359 K C -2.271 174.550 176.600 0.368 0.000 1.050 359 K CA -1.691 54.782 56.287 0.309 0.000 0.956 359 K CB 0.455 33.071 32.500 0.193 0.000 0.990 359 K HN 0.436 nan 8.250 nan 0.000 0.475 360 P HA 0.010 nan 4.420 nan 0.000 0.267 360 P C 0.452 177.684 177.300 -0.113 0.000 1.201 360 P CA 0.355 63.537 63.100 0.136 0.000 0.775 360 P CB 0.516 32.322 31.700 0.177 0.000 0.854 361 G N 0.372 108.889 108.800 -0.472 0.000 4.681 361 G HA2 0.216 4.177 3.960 0.001 0.000 0.220 361 G HA3 0.216 4.177 3.960 0.001 0.000 0.220 361 G C 0.301 174.877 174.900 -0.539 0.000 0.713 361 G CA 0.121 45.005 45.100 -0.360 0.000 1.021 361 G HN 0.793 nan 8.290 nan 0.000 0.751 362 G N -0.336 107.823 108.800 -1.069 0.000 2.532 362 G HA2 0.671 4.632 3.960 0.001 0.000 0.291 362 G HA3 0.671 4.632 3.960 0.001 0.000 0.291 362 G C -0.837 173.660 174.900 -0.673 0.000 1.349 362 G CA -0.819 43.752 45.100 -0.882 0.000 1.038 362 G HN 0.107 nan 8.290 nan 0.000 0.518 363 F N -1.242 118.567 119.950 -0.235 0.000 2.603 363 F HA 0.712 5.240 4.527 0.001 0.000 0.317 363 F C 0.633 176.435 175.800 0.004 0.000 1.066 363 F CA -0.688 57.258 58.000 -0.090 0.000 0.941 363 F CB 2.029 41.025 39.000 -0.007 0.000 1.291 363 F HN 0.653 nan 8.300 nan 0.000 0.472 364 A N 0.762 123.720 122.820 0.231 0.000 2.261 364 A HA 0.580 4.901 4.320 0.001 0.000 0.323 364 A C 0.030 177.802 177.584 0.313 0.000 1.107 364 A CA -0.285 51.906 52.037 0.256 0.000 0.883 364 A CB 0.310 19.420 19.000 0.184 0.000 1.251 364 A HN 0.769 nan 8.150 nan 0.000 0.502 365 F N 0.103 120.137 119.950 0.141 0.000 2.094 365 F HA 0.000 4.528 4.527 0.001 0.000 0.291 365 F C 1.850 177.658 175.800 0.013 0.000 1.109 365 F CA 1.692 59.751 58.000 0.097 0.000 1.221 365 F CB -0.196 38.849 39.000 0.075 0.000 1.014 365 F HN 0.631 nan 8.300 nan 0.000 0.473 366 Q N -0.210 119.612 119.800 0.037 0.000 2.306 366 Q HA 0.033 4.373 4.340 0.001 0.000 0.175 366 Q C 1.173 177.000 176.000 -0.288 0.000 1.107 366 Q CA -0.099 55.549 55.803 -0.259 0.000 1.170 366 Q CB -0.970 27.743 28.738 -0.041 0.000 1.376 366 Q HN 0.242 nan 8.270 nan 0.000 0.618 367 F N 0.320 120.133 119.950 -0.228 0.000 2.094 367 F HA 0.006 4.534 4.527 0.001 0.000 0.291 367 F C 0.844 176.520 175.800 -0.207 0.000 1.109 367 F CA 1.264 59.109 58.000 -0.259 0.000 1.221 367 F CB -0.038 38.763 39.000 -0.331 0.000 1.014 367 F HN 0.495 nan 8.300 nan 0.000 0.473 368 D N -0.515 119.913 120.400 0.047 0.000 2.420 368 D HA 0.193 4.833 4.640 0.001 0.000 0.255 368 D C -1.244 175.010 176.300 -0.077 0.000 1.185 368 D CA -0.111 53.853 54.000 -0.061 0.000 0.904 368 D CB -0.009 40.732 40.800 -0.098 0.000 1.102 368 D HN -0.026 nan 8.370 nan 0.000 0.534 369 N N 3.494 122.152 118.700 -0.070 0.000 2.722 369 N HA 0.044 4.785 4.740 0.001 0.000 0.242 369 N C 0.754 176.214 175.510 -0.083 0.000 1.398 369 N CA -0.398 52.629 53.050 -0.038 0.000 0.755 369 N CB 0.810 39.367 38.487 0.116 0.000 1.268 369 N HN 0.131 nan 8.380 nan 0.000 0.522 370 V N 0.167 119.908 119.914 -0.287 0.000 2.515 370 V HA -0.064 4.057 4.120 0.001 0.000 0.250 370 V C 1.160 177.119 176.094 -0.225 0.000 1.058 370 V CA 1.267 63.372 62.300 -0.325 0.000 1.064 370 V CB -1.062 30.473 31.823 -0.478 0.000 0.675 370 V HN 0.344 nan 8.190 nan 0.000 0.461 371 Y N -0.479 119.721 120.300 -0.166 0.000 2.529 371 Y HA 0.308 4.859 4.550 0.001 0.000 0.290 371 Y C 0.535 176.100 175.900 -0.558 0.000 1.177 371 Y CA -0.689 57.162 58.100 -0.414 0.000 1.305 371 Y CB -0.669 37.378 38.460 -0.688 0.000 1.047 371 Y HN 0.410 nan 8.280 nan 0.000 0.522 372 Y N 0.623 121.112 120.300 0.314 0.000 2.490 372 Y HA 0.354 4.904 4.550 0.001 0.000 0.346 372 Y C -2.542 173.610 175.900 0.421 0.000 1.023 372 Y CA -3.508 54.813 58.100 0.368 0.000 1.142 372 Y CB 0.303 38.876 38.460 0.188 0.000 1.126 372 Y HN -0.099 nan 8.280 nan 0.000 0.647 373 P HA 0.155 nan 4.420 nan 0.000 0.276 373 P C -0.668 176.925 177.300 0.489 0.000 1.252 373 P CA -0.034 63.229 63.100 0.273 0.000 0.802 373 P CB 1.827 33.397 31.700 -0.217 0.000 1.035 374 D N -0.327 120.274 120.400 0.334 0.000 2.575 374 D HA 0.116 4.756 4.640 0.001 0.000 0.236 374 D C 0.921 177.357 176.300 0.226 0.000 1.075 374 D CA -0.855 53.233 54.000 0.147 0.000 0.860 374 D CB 1.824 42.415 40.800 -0.348 0.000 1.475 374 D HN -0.033 nan 8.370 nan 0.000 0.474 375 V N 1.144 121.154 119.914 0.161 0.000 2.469 375 V HA -0.246 3.874 4.120 0.001 0.000 0.251 375 V C 1.935 178.046 176.094 0.028 0.000 1.064 375 V CA 1.900 64.262 62.300 0.104 0.000 1.066 375 V CB -0.580 31.224 31.823 -0.032 0.000 0.667 375 V HN 0.677 nan 8.190 nan 0.000 0.461 376 D N -0.066 120.322 120.400 -0.020 0.000 2.084 376 D HA -0.158 4.483 4.640 0.001 0.000 0.196 376 D C 2.017 178.458 176.300 0.235 0.000 0.985 376 D CA 1.336 55.371 54.000 0.060 0.000 0.826 376 D CB -0.167 40.552 40.800 -0.135 0.000 0.978 376 D HN 0.406 nan 8.370 nan 0.000 0.456 377 D N -0.449 120.083 120.400 0.219 0.000 2.097 377 D HA -0.103 4.538 4.640 0.001 0.000 0.195 377 D C 1.904 178.323 176.300 0.199 0.000 0.989 377 D CA 1.232 55.443 54.000 0.352 0.000 0.827 377 D CB -0.139 40.872 40.800 0.353 0.000 0.966 377 D HN 0.229 nan 8.370 nan 0.000 0.456 378 T N 1.169 115.868 114.554 0.241 0.000 2.720 378 T HA -0.160 4.190 4.350 0.001 0.000 0.268 378 T C 2.044 176.815 174.700 0.119 0.000 1.037 378 T CA 1.556 63.826 62.100 0.284 0.000 1.144 378 T CB -0.217 68.916 68.868 0.442 0.000 0.864 378 T HN 0.187 nan 8.240 nan 0.000 0.444 379 A N 0.895 123.752 122.820 0.063 0.000 1.873 379 A HA 0.007 4.327 4.320 0.001 0.000 0.215 379 A C 2.606 180.227 177.584 0.062 0.000 1.186 379 A CA 1.248 53.270 52.037 -0.026 0.000 0.616 379 A CB -0.885 18.026 19.000 -0.148 0.000 0.823 379 A HN 0.360 nan 8.150 nan 0.000 0.442 380 V N -0.374 119.577 119.914 0.061 0.000 2.427 380 V HA -0.187 3.933 4.120 0.001 0.000 0.248 380 V C 2.536 178.523 176.094 -0.179 0.000 1.051 380 V CA 1.827 64.094 62.300 -0.055 0.000 1.048 380 V CB -0.702 30.998 31.823 -0.205 0.000 0.666 380 V HN 0.351 nan 8.190 nan 0.000 0.456 381 V N -0.348 119.440 119.914 -0.211 0.000 2.307 381 V HA -0.185 3.935 4.120 0.001 0.000 0.245 381 V C 2.438 178.363 176.094 -0.281 0.000 1.045 381 V CA 1.742 63.810 62.300 -0.386 0.000 1.024 381 V CB -0.331 30.967 31.823 -0.875 0.000 0.651 381 V HN 0.395 nan 8.190 nan 0.000 0.449 382 V N -0.684 119.142 119.914 -0.147 0.000 2.407 382 V HA -0.257 3.863 4.120 0.001 0.000 0.248 382 V C 2.094 178.305 176.094 0.195 0.000 1.055 382 V CA 2.268 64.632 62.300 0.107 0.000 1.049 382 V CB -0.712 31.272 31.823 0.268 0.000 0.662 382 V HN 0.847 nan 8.190 nan 0.000 0.455 383 W N 1.476 122.715 121.300 -0.101 0.000 2.381 383 W HA -0.123 4.538 4.660 0.001 0.000 0.301 383 W C 2.418 178.830 176.519 -0.179 0.000 1.205 383 W CA 1.581 58.804 57.345 -0.203 0.000 1.285 383 W CB -0.876 28.441 29.460 -0.239 0.000 1.133 383 W HN 0.205 nan 8.180 nan 0.000 0.521 384 A N 0.960 123.627 122.820 -0.255 0.000 1.883 384 A HA -0.197 4.124 4.320 0.001 0.000 0.217 384 A C 2.325 179.834 177.584 -0.125 0.000 1.186 384 A CA 2.086 53.908 52.037 -0.358 0.000 0.624 384 A CB -1.179 17.601 19.000 -0.367 0.000 0.822 384 A HN 0.378 nan 8.150 nan 0.000 0.444 385 L N -0.443 120.759 121.223 -0.035 0.000 2.042 385 L HA -0.220 4.120 4.340 0.001 0.000 0.210 385 L C 2.357 179.284 176.870 0.095 0.000 1.076 385 L CA 1.631 56.501 54.840 0.050 0.000 0.749 385 L CB -0.590 41.529 42.059 0.100 0.000 0.893 385 L HN 0.500 nan 8.230 nan 0.000 0.432 386 N N -0.317 118.457 118.700 0.124 0.000 2.585 386 N HA -0.150 4.590 4.740 0.001 0.000 0.188 386 N C 1.370 176.928 175.510 0.080 0.000 1.102 386 N CA 1.395 54.522 53.050 0.129 0.000 0.920 386 N CB 0.031 38.480 38.487 -0.062 0.000 0.963 386 N HN 0.389 nan 8.380 nan 0.000 0.447 387 T N -3.107 111.477 114.554 0.049 0.000 3.092 387 T HA 0.311 4.662 4.350 0.001 0.000 0.258 387 T C 0.399 175.116 174.700 0.028 0.000 1.031 387 T CA -0.389 61.730 62.100 0.032 0.000 0.925 387 T CB -0.120 68.739 68.868 -0.016 0.000 1.036 387 T HN -0.057 nan 8.240 nan 0.000 0.544 388 L N 0.476 121.726 121.223 0.046 0.000 2.286 388 L HA 0.678 5.018 4.340 0.001 0.000 0.265 388 L C 0.137 177.048 176.870 0.068 0.000 1.012 388 L CA -1.489 53.382 54.840 0.053 0.000 0.818 388 L CB 1.914 44.005 42.059 0.052 0.000 1.337 388 L HN -0.092 nan 8.230 nan 0.000 0.438 389 R N 2.048 122.587 120.500 0.066 0.000 2.412 389 R HA 0.551 4.891 4.340 0.001 0.000 0.304 389 R C -1.295 175.043 176.300 0.063 0.000 1.066 389 R CA -0.478 55.660 56.100 0.064 0.000 0.923 389 R CB 1.347 31.681 30.300 0.056 0.000 1.156 389 R HN 0.472 nan 8.270 nan 0.000 0.513 390 L N 3.406 124.669 121.223 0.066 0.000 2.352 390 L HA 0.433 4.773 4.340 0.001 0.000 0.269 390 L C -1.338 175.564 176.870 0.053 0.000 1.034 390 L CA -2.149 52.729 54.840 0.064 0.000 0.806 390 L CB 1.076 43.179 42.059 0.073 0.000 1.244 390 L HN 0.168 nan 8.230 nan 0.000 0.447 391 P HA -0.184 nan 4.420 nan 0.000 0.214 391 P C -0.071 177.251 177.300 0.037 0.000 1.163 391 P CA 1.237 64.359 63.100 0.038 0.000 0.889 391 P CB 0.107 31.828 31.700 0.035 0.000 0.790 392 D N -0.306 120.118 120.400 0.041 0.000 2.494 392 D HA -0.007 4.633 4.640 0.001 0.000 0.217 392 D C 0.969 177.297 176.300 0.046 0.000 1.153 392 D CA -0.008 54.015 54.000 0.039 0.000 0.954 392 D CB -0.287 40.535 40.800 0.036 0.000 1.034 392 D HN -0.086 nan 8.370 nan 0.000 0.518 393 E N 2.016 122.243 120.200 0.045 0.000 2.401 393 E HA -0.166 4.185 4.350 0.001 0.000 0.199 393 E C 1.552 178.182 176.600 0.051 0.000 1.023 393 E CA 0.297 56.728 56.400 0.052 0.000 0.859 393 E CB 0.270 29.999 29.700 0.048 0.000 0.780 393 E HN 0.358 nan 8.360 nan 0.000 0.523 394 R N 1.312 121.837 120.500 0.042 0.000 2.057 394 R HA -0.024 4.317 4.340 0.001 0.000 0.229 394 R C 2.151 178.478 176.300 0.044 0.000 1.136 394 R CA 1.717 57.839 56.100 0.037 0.000 0.952 394 R CB -0.576 29.740 30.300 0.027 0.000 0.848 394 R HN -0.020 nan 8.270 nan 0.000 0.430 395 R N -0.102 120.425 120.500 0.045 0.000 2.120 395 R HA -0.028 4.313 4.340 0.001 0.000 0.234 395 R C 2.431 178.776 176.300 0.075 0.000 1.123 395 R CA 1.590 57.721 56.100 0.051 0.000 0.975 395 R CB -0.184 30.142 30.300 0.044 0.000 0.866 395 R HN 0.200 nan 8.270 nan 0.000 0.446 396 R N -0.201 120.349 120.500 0.083 0.000 2.073 396 R HA -0.123 4.217 4.340 0.001 0.000 0.229 396 R C 2.192 178.565 176.300 0.121 0.000 1.120 396 R CA 1.455 57.620 56.100 0.110 0.000 0.967 396 R CB -0.069 30.294 30.300 0.106 0.000 0.862 396 R HN -0.010 nan 8.270 nan 0.000 0.436 397 R N 0.793 121.350 120.500 0.096 0.000 2.081 397 R HA -0.129 4.212 4.340 0.001 0.000 0.235 397 R C 1.594 177.938 176.300 0.073 0.000 1.131 397 R CA 2.228 58.379 56.100 0.085 0.000 0.960 397 R CB -0.618 29.716 30.300 0.058 0.000 0.856 397 R HN 0.250 nan 8.270 nan 0.000 0.436 398 D N -0.767 119.671 120.400 0.064 0.000 2.084 398 D HA -0.047 4.594 4.640 0.001 0.000 0.196 398 D C 1.698 178.046 176.300 0.080 0.000 0.985 398 D CA 1.696 55.728 54.000 0.054 0.000 0.826 398 D CB -0.153 40.671 40.800 0.040 0.000 0.978 398 D HN 0.322 nan 8.370 nan 0.000 0.456 399 A N 0.257 123.139 122.820 0.105 0.000 1.873 399 A HA -0.242 4.079 4.320 0.001 0.000 0.218 399 A C 2.284 179.996 177.584 0.214 0.000 1.193 399 A CA 1.869 53.995 52.037 0.149 0.000 0.629 399 A CB -0.739 18.372 19.000 0.185 0.000 0.826 399 A HN 0.285 nan 8.150 nan 0.000 0.447 400 M N -0.859 118.877 119.600 0.226 0.000 2.108 400 M HA -0.157 4.324 4.480 0.001 0.000 0.261 400 M C 2.255 178.700 176.300 0.242 0.000 1.066 400 M CA 2.097 57.571 55.300 0.289 0.000 1.107 400 M CB -0.851 31.941 32.600 0.320 0.000 1.356 400 M HN 0.494 nan 8.290 nan 0.000 0.406 401 T N 0.428 115.054 114.554 0.119 0.000 2.737 401 T HA -0.114 4.236 4.350 0.001 0.000 0.265 401 T C 1.790 176.567 174.700 0.129 0.000 1.038 401 T CA 1.160 63.282 62.100 0.038 0.000 1.144 401 T CB -0.151 68.698 68.868 -0.031 0.000 0.866 401 T HN 0.369 nan 8.240 nan 0.000 0.434 402 K N 0.591 121.070 120.400 0.132 0.000 2.032 402 K HA -0.058 4.263 4.320 0.001 0.000 0.209 402 K C 2.642 179.377 176.600 0.225 0.000 1.048 402 K CA 1.359 57.730 56.287 0.140 0.000 0.927 402 K CB -0.573 31.971 32.500 0.072 0.000 0.712 402 K HN 0.381 nan 8.250 nan 0.000 0.441 403 G N 1.192 110.153 108.800 0.269 0.000 2.433 403 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 403 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 403 G C 1.331 176.501 174.900 0.451 0.000 1.186 403 G CA 0.487 45.808 45.100 0.368 0.000 0.779 403 G HN 0.198 nan 8.290 nan 0.000 0.543 404 F N 2.019 122.116 119.950 0.245 0.000 2.063 404 F HA -0.158 4.369 4.527 0.001 0.000 0.298 404 F C 2.860 178.806 175.800 0.244 0.000 1.109 404 F CA 1.923 60.063 58.000 0.233 0.000 1.212 404 F CB -0.396 38.614 39.000 0.017 0.000 0.973 404 F HN 0.024 nan 8.300 nan 0.000 0.480 405 R N -1.444 119.398 120.500 0.569 0.000 2.081 405 R HA -0.248 4.093 4.340 0.001 0.000 0.235 405 R C 2.163 178.684 176.300 0.369 0.000 1.131 405 R CA 1.820 58.165 56.100 0.408 0.000 0.960 405 R CB -1.235 29.203 30.300 0.229 0.000 0.856 405 R HN 0.519 nan 8.270 nan 0.000 0.436 406 W N 1.719 123.115 121.300 0.161 0.000 2.338 406 W HA -0.152 4.509 4.660 0.001 0.000 0.304 406 W C 1.748 178.321 176.519 0.089 0.000 1.212 406 W CA 1.370 58.742 57.345 0.046 0.000 1.264 406 W CB -0.321 29.099 29.460 -0.066 0.000 1.142 406 W HN -0.051 nan 8.180 nan 0.000 0.512 407 I N -0.185 120.531 120.570 0.244 0.000 2.127 407 I HA -0.384 3.786 4.170 0.001 0.000 0.241 407 I C 2.194 178.467 176.117 0.260 0.000 1.075 407 I CA 1.792 63.132 61.300 0.066 0.000 1.334 407 I CB -1.163 36.841 38.000 0.007 0.000 1.040 407 I HN -0.182 nan 8.210 nan 0.000 0.405 408 V N 1.037 121.190 119.914 0.400 0.000 2.287 408 V HA -0.259 3.861 4.120 0.001 0.000 0.248 408 V C 2.482 178.714 176.094 0.231 0.000 1.053 408 V CA 2.219 64.792 62.300 0.456 0.000 1.027 408 V CB -1.588 30.503 31.823 0.446 0.000 0.646 408 V HN 0.615 nan 8.190 nan 0.000 0.447 409 G N -1.161 107.699 108.800 0.099 0.000 2.625 409 G HA2 -0.143 3.818 3.960 0.001 0.000 0.214 409 G HA3 -0.143 3.818 3.960 0.001 0.000 0.214 409 G C 1.302 176.122 174.900 -0.133 0.000 1.132 409 G CA 0.374 45.467 45.100 -0.012 0.000 0.782 409 G HN 0.356 nan 8.290 nan 0.000 0.538 410 M N -0.184 119.308 119.600 -0.181 0.000 2.465 410 M HA 0.184 4.664 4.480 0.001 0.000 0.249 410 M C 1.117 177.296 176.300 -0.201 0.000 1.130 410 M CA -0.182 54.972 55.300 -0.243 0.000 1.067 410 M CB -0.413 31.899 32.600 -0.480 0.000 1.394 410 M HN 0.307 nan 8.290 nan 0.000 0.483 411 Q N 1.492 121.104 119.800 -0.313 0.000 2.269 411 Q HA 0.015 4.356 4.340 0.001 0.000 0.300 411 Q C -0.289 175.303 176.000 -0.679 0.000 1.070 411 Q CA 0.320 55.440 55.803 -1.140 0.000 0.957 411 Q CB 0.781 28.877 28.738 -1.069 0.000 1.131 411 Q HN 0.161 nan 8.270 nan 0.000 0.377 412 S N 1.834 117.117 115.700 -0.694 0.000 2.640 412 S HA 0.088 4.559 4.470 0.001 0.000 0.262 412 S C 1.085 175.470 174.600 -0.359 0.000 1.232 412 S CA -0.424 57.538 58.200 -0.398 0.000 0.988 412 S CB 1.178 64.187 63.200 -0.317 0.000 1.034 412 S HN 0.795 nan 8.310 nan 0.000 0.569 413 S N 2.196 117.756 115.700 -0.233 0.000 2.348 413 S HA -0.170 4.301 4.470 0.001 0.000 0.221 413 S C 1.657 176.145 174.600 -0.187 0.000 1.033 413 S CA 1.809 59.902 58.200 -0.178 0.000 1.010 413 S CB -0.752 62.381 63.200 -0.111 0.000 0.891 413 S HN 0.832 nan 8.310 nan 0.000 0.442 414 N N 1.213 119.797 118.700 -0.193 0.000 2.519 414 N HA 0.100 4.841 4.740 0.001 0.000 0.186 414 N C 1.069 176.462 175.510 -0.196 0.000 1.062 414 N CA 1.114 54.078 53.050 -0.143 0.000 0.910 414 N CB -0.568 37.869 38.487 -0.084 0.000 0.958 414 N HN 0.488 nan 8.380 nan 0.000 0.445 415 G N -2.646 105.939 108.800 -0.358 0.000 2.179 415 G HA2 -0.113 3.847 3.960 0.001 0.000 0.220 415 G HA3 -0.113 3.847 3.960 0.001 0.000 0.220 415 G C 0.233 174.797 174.900 -0.561 0.000 0.990 415 G CA -0.131 44.736 45.100 -0.387 0.000 0.646 415 G HN 0.813 nan 8.290 nan 0.000 0.517 416 G N -1.580 106.742 108.800 -0.797 0.000 2.601 416 G HA2 0.578 4.539 3.960 0.001 0.000 0.317 416 G HA3 0.578 4.539 3.960 0.001 0.000 0.317 416 G C -0.528 174.028 174.900 -0.572 0.000 1.246 416 G CA -0.906 43.739 45.100 -0.759 0.000 1.012 416 G HN 0.225 nan 8.290 nan 0.000 0.494 417 W N -0.433 120.701 121.300 -0.276 0.000 2.666 417 W HA 0.540 5.201 4.660 0.001 0.000 0.334 417 W C 0.441 176.907 176.519 -0.087 0.000 1.051 417 W CA -0.650 56.594 57.345 -0.168 0.000 1.224 417 W CB 2.152 31.525 29.460 -0.144 0.000 1.405 417 W HN 0.812 nan 8.180 nan 0.000 0.513 418 G N 0.445 109.349 108.800 0.173 0.000 2.543 418 G HA2 0.471 4.431 3.960 0.001 0.000 0.267 418 G HA3 0.471 4.431 3.960 0.001 0.000 0.267 418 G C 0.373 175.387 174.900 0.190 0.000 1.406 418 G CA 0.339 45.552 45.100 0.188 0.000 1.048 418 G HN 0.505 nan 8.290 nan 0.000 0.548 419 A N -1.909 121.023 122.820 0.188 0.000 1.909 419 A HA 0.351 4.672 4.320 0.001 0.000 0.210 419 A C 1.826 179.304 177.584 -0.177 0.000 1.273 419 A CA 0.841 52.825 52.037 -0.088 0.000 0.654 419 A CB -0.242 18.644 19.000 -0.189 0.000 0.945 419 A HN 0.542 nan 8.150 nan 0.000 0.471 420 Y N -0.138 120.356 120.300 0.324 0.000 2.498 420 Y HA 0.296 4.847 4.550 0.001 0.000 0.259 420 Y C 0.163 176.280 175.900 0.363 0.000 1.086 420 Y CA -0.532 57.792 58.100 0.374 0.000 1.287 420 Y CB 0.628 39.333 38.460 0.409 0.000 1.146 420 Y HN 0.160 nan 8.280 nan 0.000 0.523 421 D N -1.108 119.528 120.400 0.392 0.000 2.592 421 D HA 0.462 5.103 4.640 0.001 0.000 0.263 421 D C -1.157 175.244 176.300 0.169 0.000 1.132 421 D CA -0.476 53.708 54.000 0.307 0.000 0.996 421 D CB 3.191 44.168 40.800 0.295 0.000 1.442 421 D HN -0.370 nan 8.370 nan 0.000 0.486 422 V N 1.302 121.295 119.914 0.131 0.000 2.394 422 V HA 0.166 4.287 4.120 0.001 0.000 0.282 422 V C -0.152 175.959 176.094 0.029 0.000 1.031 422 V CA -0.552 61.768 62.300 0.034 0.000 0.881 422 V CB 1.189 33.020 31.823 0.015 0.000 0.982 422 V HN 0.584 nan 8.190 nan 0.000 0.451 423 D N 2.788 123.177 120.400 -0.019 0.000 2.701 423 D HA -0.200 4.441 4.640 0.001 0.000 0.235 423 D C 0.542 176.852 176.300 0.017 0.000 1.155 423 D CA 0.692 54.681 54.000 -0.018 0.000 0.649 423 D CB -0.612 40.172 40.800 -0.027 0.000 1.050 423 D HN 0.764 nan 8.370 nan 0.000 0.425 424 N N 0.828 119.553 118.700 0.041 0.000 3.124 424 N HA 0.019 4.759 4.740 0.001 0.000 0.284 424 N C 0.612 176.131 175.510 0.015 0.000 1.209 424 N CA 0.484 53.560 53.050 0.044 0.000 1.149 424 N CB 0.168 38.699 38.487 0.073 0.000 1.434 424 N HN 0.221 nan 8.380 nan 0.000 0.529 425 T N -2.469 112.084 114.554 -0.003 0.000 3.132 425 T HA 0.082 4.432 4.350 0.001 0.000 0.274 425 T C 0.665 175.344 174.700 -0.035 0.000 1.011 425 T CA -0.474 61.618 62.100 -0.014 0.000 0.899 425 T CB 0.056 68.919 68.868 -0.008 0.000 1.089 425 T HN 0.136 nan 8.240 nan 0.000 0.543 426 S N 1.488 117.157 115.700 -0.051 0.000 2.563 426 S HA 0.006 4.476 4.470 0.001 0.000 0.294 426 S C 0.833 175.375 174.600 -0.096 0.000 1.279 426 S CA 0.031 58.191 58.200 -0.067 0.000 1.069 426 S CB 0.339 63.484 63.200 -0.092 0.000 0.828 426 S HN 0.512 nan 8.310 nan 0.000 0.497 427 D N 3.432 123.797 120.400 -0.058 0.000 2.350 427 D HA 0.066 4.707 4.640 0.001 0.000 0.213 427 D C 1.639 177.891 176.300 -0.079 0.000 1.031 427 D CA -0.047 53.915 54.000 -0.064 0.000 0.861 427 D CB -0.016 40.797 40.800 0.022 0.000 0.926 427 D HN 0.446 nan 8.370 nan 0.000 0.520 428 L N 1.652 122.842 121.223 -0.055 0.000 1.989 428 L HA -0.046 4.295 4.340 0.001 0.000 0.211 428 L C -0.695 176.049 176.870 -0.210 0.000 1.071 428 L CA 1.946 56.775 54.840 -0.019 0.000 0.749 428 L CB -1.917 40.131 42.059 -0.017 0.000 0.890 428 L HN 0.170 nan 8.230 nan 0.000 0.431 429 P HA -0.147 nan 4.420 nan 0.000 0.223 429 P C 0.890 177.911 177.300 -0.466 0.000 1.144 429 P CA 1.018 63.786 63.100 -0.553 0.000 0.783 429 P CB -0.280 30.781 31.700 -1.065 0.000 0.771 430 N N -0.500 117.896 118.700 -0.506 0.000 2.573 430 N HA -0.108 4.633 4.740 0.001 0.000 0.187 430 N C 1.208 176.319 175.510 -0.666 0.000 1.107 430 N CA 0.836 53.554 53.050 -0.553 0.000 0.918 430 N CB -0.375 37.756 38.487 -0.593 0.000 0.966 430 N HN 0.466 nan 8.380 nan 0.000 0.448 431 H N -0.360 118.477 119.070 -0.388 0.000 2.705 431 H HA 0.184 4.740 4.556 0.001 0.000 0.269 431 H C 0.627 175.542 175.328 -0.689 0.000 0.998 431 H CA -0.367 55.381 56.048 -0.500 0.000 1.193 431 H CB 0.983 30.413 29.762 -0.553 0.000 1.485 431 H HN 0.025 nan 8.280 nan 0.000 0.521 432 I N 2.593 122.831 120.570 -0.553 0.000 2.752 432 I HA -0.008 4.162 4.170 0.001 0.000 0.287 432 I C -1.171 174.897 176.117 -0.083 0.000 1.188 432 I CA -2.059 59.045 61.300 -0.327 0.000 1.427 432 I CB 0.115 38.043 38.000 -0.120 0.000 1.365 432 I HN -0.106 nan 8.210 nan 0.000 0.585 433 P HA -0.207 nan 4.420 nan 0.000 0.215 433 P C 1.927 179.267 177.300 0.068 0.000 1.157 433 P CA 1.390 64.538 63.100 0.080 0.000 0.874 433 P CB -0.021 31.766 31.700 0.144 0.000 0.790 434 F N 0.292 120.218 119.950 -0.040 0.000 2.154 434 F HA -0.193 4.335 4.527 0.001 0.000 0.301 434 F C 0.758 176.468 175.800 -0.149 0.000 1.087 434 F CA 1.110 59.055 58.000 -0.090 0.000 1.274 434 F CB -0.572 38.384 39.000 -0.074 0.000 1.009 434 F HN -0.156 nan 8.300 nan 0.000 0.485 435 C N 3.026 122.350 119.300 0.039 0.000 2.756 435 C HA 0.124 4.585 4.460 0.001 0.000 0.504 435 C C 0.784 175.690 174.990 -0.139 0.000 1.028 435 C CA 0.011 58.993 59.018 -0.060 0.000 1.167 435 C CB -2.237 25.525 27.740 0.038 0.000 1.444 435 C HN 0.511 nan 8.230 nan 0.000 0.577 436 D N -0.548 119.725 120.400 -0.211 0.000 2.462 436 D HA 0.108 4.749 4.640 0.001 0.000 0.221 436 D C -0.252 176.048 176.300 -0.001 0.000 1.173 436 D CA -0.254 53.682 54.000 -0.107 0.000 0.831 436 D CB -0.057 40.681 40.800 -0.102 0.000 1.001 436 D HN 0.368 nan 8.370 nan 0.000 0.499 437 F N 1.058 120.885 119.950 -0.205 0.000 2.579 437 F HA 0.516 5.044 4.527 0.001 0.000 0.325 437 F C 0.669 176.376 175.800 -0.154 0.000 1.162 437 F CA 0.405 58.342 58.000 -0.106 0.000 0.946 437 F CB 1.344 40.327 39.000 -0.029 0.000 1.211 437 F HN 0.219 nan 8.300 nan 0.000 0.447 438 G N 4.543 112.896 108.800 -0.744 0.000 2.692 438 G HA2 -0.184 3.777 3.960 0.001 0.000 0.248 438 G HA3 -0.184 3.777 3.960 0.001 0.000 0.248 438 G C -0.691 173.779 174.900 -0.716 0.000 1.340 438 G CA -0.500 44.054 45.100 -0.911 0.000 0.896 438 G HN 0.713 nan 8.290 nan 0.000 0.570 439 E N -0.684 118.918 120.200 -0.997 0.000 2.366 439 E HA 0.410 4.761 4.350 0.001 0.000 0.266 439 E C 0.986 177.586 176.600 0.001 0.000 1.051 439 E CA 0.026 56.232 56.400 -0.324 0.000 0.884 439 E CB 1.597 31.299 29.700 0.003 0.000 1.006 439 E HN 0.537 nan 8.360 nan 0.000 0.417 440 V N 0.692 120.644 119.914 0.064 0.000 3.502 440 V HA 0.029 4.149 4.120 0.001 0.000 0.288 440 V C 0.410 176.466 176.094 -0.064 0.000 1.461 440 V CA 0.471 62.814 62.300 0.071 0.000 1.029 440 V CB 0.741 32.557 31.823 -0.011 0.000 0.843 440 V HN 0.743 nan 8.190 nan 0.000 0.438 441 T N -2.796 111.744 114.554 -0.023 0.000 2.906 441 T HA 0.618 4.968 4.350 0.001 0.000 0.295 441 T C -1.240 173.489 174.700 0.049 0.000 1.075 441 T CA -0.472 61.579 62.100 -0.082 0.000 1.005 441 T CB 2.748 71.562 68.868 -0.091 0.000 1.136 441 T HN -0.009 nan 8.240 nan 0.000 0.498 442 D N 2.541 122.954 120.400 0.023 0.000 2.456 442 D HA 0.397 5.037 4.640 0.001 0.000 0.287 442 D C -2.397 174.018 176.300 0.191 0.000 1.186 442 D CA -1.955 52.173 54.000 0.213 0.000 0.916 442 D CB 0.851 41.765 40.800 0.190 0.000 1.029 442 D HN 0.316 nan 8.370 nan 0.000 0.498 443 P HA 0.378 nan 4.420 nan 0.000 0.278 443 P C -2.678 174.704 177.300 0.136 0.000 1.258 443 P CA -1.729 61.437 63.100 0.110 0.000 0.811 443 P CB 0.580 32.329 31.700 0.082 0.000 1.063 444 P HA 0.051 nan 4.420 nan 0.000 0.267 444 P C -0.134 177.263 177.300 0.162 0.000 1.200 444 P CA 0.586 63.697 63.100 0.020 0.000 0.772 444 P CB 0.185 31.724 31.700 -0.269 0.000 0.855 445 S N 0.387 116.224 115.700 0.228 0.000 2.568 445 S HA 0.379 4.849 4.470 0.001 0.000 0.293 445 S C 0.699 175.493 174.600 0.324 0.000 1.089 445 S CA -0.647 57.739 58.200 0.310 0.000 0.945 445 S CB 1.758 65.134 63.200 0.294 0.000 1.077 445 S HN 0.212 nan 8.310 nan 0.000 0.485 446 E N 1.569 121.942 120.200 0.288 0.000 2.077 446 E HA -0.155 4.196 4.350 0.001 0.000 0.193 446 E C 1.524 178.073 176.600 -0.086 0.000 0.989 446 E CA 1.864 58.336 56.400 0.121 0.000 0.800 446 E CB -0.263 29.450 29.700 0.021 0.000 0.746 446 E HN 0.850 nan 8.360 nan 0.000 0.452 447 D N 0.669 120.992 120.400 -0.127 0.000 2.117 447 D HA -0.142 4.498 4.640 0.001 0.000 0.197 447 D C 1.943 177.959 176.300 -0.472 0.000 0.987 447 D CA 1.040 54.804 54.000 -0.394 0.000 0.829 447 D CB -0.688 39.909 40.800 -0.339 0.000 0.961 447 D HN 0.167 nan 8.370 nan 0.000 0.460 448 V N 1.001 120.837 119.914 -0.129 0.000 2.307 448 V HA -0.217 3.904 4.120 0.001 0.000 0.245 448 V C 2.720 178.748 176.094 -0.111 0.000 1.045 448 V CA 2.201 64.458 62.300 -0.070 0.000 1.024 448 V CB -1.053 30.817 31.823 0.079 0.000 0.651 448 V HN 0.281 nan 8.190 nan 0.000 0.449 449 T N 0.515 115.074 114.554 0.008 0.000 2.759 449 T HA -0.212 4.138 4.350 0.001 0.000 0.269 449 T C 2.044 176.676 174.700 -0.112 0.000 1.042 449 T CA 1.702 63.853 62.100 0.086 0.000 1.140 449 T CB -0.448 68.585 68.868 0.274 0.000 0.864 449 T HN 0.582 nan 8.240 nan 0.000 0.455 450 A N 1.318 124.011 122.820 -0.211 0.000 1.858 450 A HA -0.174 4.146 4.320 0.001 0.000 0.216 450 A C 1.911 179.360 177.584 -0.225 0.000 1.190 450 A CA 1.823 53.693 52.037 -0.279 0.000 0.617 450 A CB -1.126 17.629 19.000 -0.408 0.000 0.827 450 A HN 0.709 nan 8.150 nan 0.000 0.443 451 H N -1.143 117.794 119.070 -0.221 0.000 2.426 451 H HA -0.110 4.446 4.556 0.001 0.000 0.298 451 H C 2.067 177.177 175.328 -0.363 0.000 1.107 451 H CA 0.961 56.897 56.048 -0.187 0.000 1.298 451 H CB -0.035 29.702 29.762 -0.041 0.000 1.377 451 H HN 0.311 nan 8.280 nan 0.000 0.519 452 V N 0.542 120.208 119.914 -0.413 0.000 2.270 452 V HA -0.227 3.893 4.120 0.001 0.000 0.245 452 V C 2.241 177.769 176.094 -0.944 0.000 1.043 452 V CA 1.330 63.093 62.300 -0.896 0.000 1.014 452 V CB -0.426 30.528 31.823 -1.448 0.000 0.645 452 V HN 0.222 nan 8.190 nan 0.000 0.447 453 L N 0.134 121.019 121.223 -0.563 0.000 2.042 453 L HA -0.205 4.135 4.340 0.001 0.000 0.210 453 L C 2.496 179.183 176.870 -0.305 0.000 1.076 453 L CA 2.211 56.878 54.840 -0.288 0.000 0.749 453 L CB -0.938 41.050 42.059 -0.119 0.000 0.893 453 L HN 0.469 nan 8.230 nan 0.000 0.432 454 E N -1.442 118.514 120.200 -0.407 0.000 2.153 454 E HA -0.250 4.101 4.350 0.001 0.000 0.194 454 E C 2.429 178.503 176.600 -0.876 0.000 0.988 454 E CA 1.440 57.486 56.400 -0.589 0.000 0.811 454 E CB -0.317 28.992 29.700 -0.651 0.000 0.746 454 E HN 0.545 nan 8.360 nan 0.000 0.466 455 C N -0.323 118.516 119.300 -0.769 0.000 2.453 455 C HA -0.084 4.376 4.460 0.001 0.000 0.277 455 C C 2.273 177.052 174.990 -0.351 0.000 1.262 455 C CA 0.649 59.267 59.018 -0.665 0.000 1.718 455 C CB -1.413 26.047 27.740 -0.465 0.000 2.031 455 C HN 0.525 nan 8.230 nan 0.000 0.480 456 F N 1.864 121.685 119.950 -0.216 0.000 2.171 456 F HA 0.102 4.630 4.527 0.001 0.000 0.300 456 F C 2.632 178.524 175.800 0.152 0.000 1.090 456 F CA 1.314 59.346 58.000 0.053 0.000 1.293 456 F CB -1.641 37.411 39.000 0.086 0.000 1.013 456 F HN 0.362 nan 8.300 nan 0.000 0.486 457 G N -0.422 108.452 108.800 0.124 0.000 2.450 457 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 457 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 457 G C 1.808 176.687 174.900 -0.036 0.000 1.130 457 G CA 1.281 46.411 45.100 0.050 0.000 0.760 457 G HN 0.462 nan 8.290 nan 0.000 0.557 458 S N 0.188 115.720 115.700 -0.280 0.000 2.419 458 S HA -0.032 4.438 4.470 0.001 0.000 0.233 458 S C 1.976 176.468 174.600 -0.179 0.000 1.016 458 S CA 1.083 59.078 58.200 -0.341 0.000 0.974 458 S CB -0.464 62.361 63.200 -0.624 0.000 0.786 458 S HN 0.204 nan 8.310 nan 0.000 0.492 459 F N 1.894 121.962 119.950 0.196 0.000 2.416 459 F HA 0.420 4.948 4.527 0.001 0.000 0.296 459 F C 2.322 178.297 175.800 0.292 0.000 1.099 459 F CA 0.291 58.478 58.000 0.312 0.000 1.427 459 F CB -0.296 39.008 39.000 0.507 0.000 1.079 459 F HN 0.494 nan 8.300 nan 0.000 0.536 460 G N -1.715 107.341 108.800 0.425 0.000 3.031 460 G HA2 -0.226 3.735 3.960 0.001 0.000 0.198 460 G HA3 -0.226 3.735 3.960 0.001 0.000 0.198 460 G C -0.292 174.764 174.900 0.260 0.000 1.242 460 G CA -0.576 44.667 45.100 0.238 0.000 0.878 460 G HN 0.006 nan 8.290 nan 0.000 0.493 461 Y N 4.426 124.848 120.300 0.203 0.000 2.822 461 Y HA 0.139 4.689 4.550 0.001 0.000 0.389 461 Y C 1.383 177.442 175.900 0.265 0.000 1.228 461 Y CA 0.790 59.025 58.100 0.225 0.000 1.621 461 Y CB -0.184 38.476 38.460 0.333 0.000 1.100 461 Y HN 0.607 nan 8.280 nan 0.000 0.527 462 D N 0.854 121.420 120.400 0.277 0.000 2.560 462 D HA 0.090 4.731 4.640 0.001 0.000 0.277 462 D C 0.713 177.160 176.300 0.245 0.000 1.194 462 D CA -0.360 53.774 54.000 0.223 0.000 1.092 462 D CB 0.215 41.092 40.800 0.127 0.000 1.169 462 D HN 0.389 nan 8.370 nan 0.000 0.607 463 D N -1.244 119.258 120.400 0.170 0.000 2.384 463 D HA -0.041 4.599 4.640 0.001 0.000 0.222 463 D C 1.663 178.054 176.300 0.152 0.000 0.976 463 D CA 1.106 55.195 54.000 0.149 0.000 0.915 463 D CB -0.211 40.655 40.800 0.110 0.000 0.896 463 D HN 0.420 nan 8.370 nan 0.000 0.523 464 A N -0.162 122.758 122.820 0.167 0.000 1.897 464 A HA -0.041 4.280 4.320 0.001 0.000 0.215 464 A C 0.947 178.672 177.584 0.236 0.000 1.181 464 A CA 0.220 52.349 52.037 0.152 0.000 0.620 464 A CB -0.807 18.255 19.000 0.103 0.000 0.821 464 A HN 0.444 nan 8.150 nan 0.000 0.443 465 W N 1.963 123.304 121.300 0.068 0.000 2.264 465 W HA 0.224 4.884 4.660 0.001 0.000 0.331 465 W C 1.256 177.822 176.519 0.080 0.000 1.364 465 W CA -0.573 56.823 57.345 0.085 0.000 1.253 465 W CB 0.614 30.163 29.460 0.149 0.000 1.215 465 W HN 0.336 nan 8.180 nan 0.000 0.561 466 K N 3.159 123.694 120.400 0.225 0.000 2.063 466 K HA -0.197 4.123 4.320 0.001 0.000 0.208 466 K C 1.591 178.038 176.600 -0.255 0.000 1.048 466 K CA 2.015 58.296 56.287 -0.011 0.000 0.928 466 K CB -0.094 32.432 32.500 0.042 0.000 0.713 466 K HN 0.434 nan 8.250 nan 0.000 0.442 467 V N 1.824 121.297 119.914 -0.735 0.000 2.255 467 V HA -0.306 3.814 4.120 0.001 0.000 0.247 467 V C 2.369 178.222 176.094 -0.401 0.000 1.051 467 V CA 1.612 63.461 62.300 -0.753 0.000 1.018 467 V CB -0.429 30.531 31.823 -1.438 0.000 0.641 467 V HN 0.345 nan 8.190 nan 0.000 0.445 468 I N 0.053 120.404 120.570 -0.364 0.000 2.163 468 I HA -0.268 3.902 4.170 0.001 0.000 0.243 468 I C 2.622 178.757 176.117 0.030 0.000 1.085 468 I CA 2.024 63.323 61.300 -0.002 0.000 1.347 468 I CB -1.238 36.861 38.000 0.164 0.000 1.044 468 I HN 0.371 nan 8.210 nan 0.000 0.408 469 R N 1.248 121.752 120.500 0.007 0.000 2.073 469 R HA -0.161 4.180 4.340 0.001 0.000 0.234 469 R C 2.484 178.788 176.300 0.008 0.000 1.134 469 R CA 1.420 57.535 56.100 0.025 0.000 0.952 469 R CB -0.134 30.181 30.300 0.026 0.000 0.850 469 R HN 0.306 nan 8.270 nan 0.000 0.433 470 R N -0.029 120.447 120.500 -0.040 0.000 2.117 470 R HA -0.146 4.194 4.340 0.001 0.000 0.243 470 R C 2.291 178.587 176.300 -0.006 0.000 1.143 470 R CA 1.475 57.545 56.100 -0.051 0.000 0.968 470 R CB -0.393 29.830 30.300 -0.128 0.000 0.863 470 R HN 0.306 nan 8.270 nan 0.000 0.444 471 A N 0.787 123.620 122.820 0.022 0.000 1.874 471 A HA -0.047 4.273 4.320 0.001 0.000 0.214 471 A C 2.400 180.089 177.584 0.174 0.000 1.189 471 A CA 0.978 53.093 52.037 0.131 0.000 0.615 471 A CB -0.407 18.744 19.000 0.252 0.000 0.830 471 A HN 0.093 nan 8.150 nan 0.000 0.443 472 V N 0.503 120.485 119.914 0.114 0.000 2.407 472 V HA -0.223 3.897 4.120 0.001 0.000 0.248 472 V C 2.559 178.702 176.094 0.081 0.000 1.055 472 V CA 2.102 64.459 62.300 0.095 0.000 1.049 472 V CB -0.758 31.119 31.823 0.090 0.000 0.662 472 V HN 0.483 nan 8.190 nan 0.000 0.455 473 E N -0.434 119.807 120.200 0.068 0.000 2.085 473 E HA -0.249 4.101 4.350 0.001 0.000 0.194 473 E C 2.055 178.698 176.600 0.070 0.000 0.994 473 E CA 1.760 58.186 56.400 0.043 0.000 0.801 473 E CB -0.478 29.242 29.700 0.032 0.000 0.743 473 E HN 0.771 nan 8.360 nan 0.000 0.453 474 Y N 1.448 121.749 120.300 0.002 0.000 2.128 474 Y HA -0.216 4.335 4.550 0.001 0.000 0.284 474 Y C 2.212 178.151 175.900 0.065 0.000 1.154 474 Y CA 1.555 59.663 58.100 0.014 0.000 1.149 474 Y CB -0.528 37.926 38.460 -0.009 0.000 0.976 474 Y HN -0.050 nan 8.280 nan 0.000 0.505 475 L N 0.068 121.228 121.223 -0.105 0.000 2.017 475 L HA -0.237 4.103 4.340 0.001 0.000 0.208 475 L C 2.558 179.527 176.870 0.165 0.000 1.073 475 L CA 1.802 56.576 54.840 -0.111 0.000 0.745 475 L CB -0.601 41.389 42.059 -0.115 0.000 0.894 475 L HN 0.129 nan 8.230 nan 0.000 0.432 476 K N -0.013 120.464 120.400 0.128 0.000 2.063 476 K HA -0.183 4.138 4.320 0.001 0.000 0.208 476 K C 2.204 178.815 176.600 0.019 0.000 1.048 476 K CA 1.438 57.782 56.287 0.095 0.000 0.928 476 K CB -0.141 32.292 32.500 -0.111 0.000 0.713 476 K HN 0.306 nan 8.250 nan 0.000 0.442 477 R N 0.473 120.950 120.500 -0.037 0.000 2.148 477 R HA -0.069 4.272 4.340 0.001 0.000 0.227 477 R C 1.770 178.020 176.300 -0.084 0.000 1.103 477 R CA 0.761 56.824 56.100 -0.063 0.000 0.983 477 R CB 0.012 30.281 30.300 -0.052 0.000 0.874 477 R HN 0.185 nan 8.270 nan 0.000 0.451 478 E N 1.013 121.150 120.200 -0.104 0.000 2.318 478 E HA -0.062 4.289 4.350 0.001 0.000 0.193 478 E C 0.479 177.050 176.600 -0.047 0.000 0.998 478 E CA 0.110 56.456 56.400 -0.089 0.000 0.859 478 E CB 0.039 29.616 29.700 -0.205 0.000 0.812 478 E HN 0.312 nan 8.360 nan 0.000 0.492 479 Q N 1.943 121.710 119.800 -0.054 0.000 2.348 479 Q HA -0.103 4.237 4.340 0.001 0.000 0.331 479 Q C -0.258 175.471 176.000 -0.452 0.000 1.099 479 Q CA 0.498 55.909 55.803 -0.654 0.000 1.021 479 Q CB 0.570 28.913 28.738 -0.658 0.000 1.166 479 Q HN -0.294 nan 8.270 nan 0.000 0.393 480 K N 4.626 124.715 120.400 -0.518 0.000 2.138 480 K HA 0.130 4.450 4.320 0.001 0.000 0.251 480 K C -1.822 174.600 176.600 -0.297 0.000 1.015 480 K CA -1.955 54.147 56.287 -0.310 0.000 0.917 480 K CB 0.119 32.464 32.500 -0.259 0.000 1.021 480 K HN 0.495 nan 8.250 nan 0.000 0.485 481 P HA -0.207 nan 4.420 nan 0.000 0.216 481 P C 0.379 177.596 177.300 -0.138 0.000 1.154 481 P CA 1.558 64.575 63.100 -0.138 0.000 0.865 481 P CB 0.131 31.776 31.700 -0.092 0.000 0.789 482 D N -2.149 118.152 120.400 -0.164 0.000 2.324 482 D HA 0.059 4.700 4.640 0.001 0.000 0.235 482 D C 1.223 177.401 176.300 -0.203 0.000 1.095 482 D CA 0.695 54.639 54.000 -0.094 0.000 0.871 482 D CB -0.858 39.956 40.800 0.023 0.000 0.906 482 D HN 0.252 nan 8.370 nan 0.000 0.522 483 G N 0.824 109.418 108.800 -0.343 0.000 2.143 483 G HA2 -0.288 3.673 3.960 0.001 0.000 0.248 483 G HA3 -0.288 3.673 3.960 0.001 0.000 0.248 483 G C 0.321 174.781 174.900 -0.734 0.000 0.991 483 G CA 0.536 45.363 45.100 -0.456 0.000 0.689 483 G HN 0.757 nan 8.290 nan 0.000 0.522 484 S N -1.008 114.157 115.700 -0.892 0.000 2.722 484 S HA 0.830 5.301 4.470 0.001 0.000 0.292 484 S C -0.338 173.871 174.600 -0.652 0.000 1.135 484 S CA -0.897 56.721 58.200 -0.971 0.000 1.003 484 S CB 2.033 64.305 63.200 -1.546 0.000 1.067 484 S HN 0.495 nan 8.310 nan 0.000 0.546 485 W N 1.005 122.170 121.300 -0.224 0.000 2.656 485 W HA 0.422 5.083 4.660 0.001 0.000 0.327 485 W C -0.465 176.011 176.519 -0.072 0.000 1.041 485 W CA -1.585 55.703 57.345 -0.094 0.000 1.229 485 W CB 1.593 30.965 29.460 -0.148 0.000 1.397 485 W HN 0.764 nan 8.180 nan 0.000 0.479 486 F N 1.873 121.833 119.950 0.017 0.000 2.586 486 F HA 0.350 4.878 4.527 0.001 0.000 0.344 486 F C 0.788 176.465 175.800 -0.204 0.000 1.188 486 F CA 0.881 58.710 58.000 -0.284 0.000 1.359 486 F CB 0.658 39.594 39.000 -0.107 0.000 1.129 486 F HN 0.266 nan 8.300 nan 0.000 0.609 487 G N 4.702 112.821 108.800 -1.136 0.000 2.744 487 G HA2 0.368 4.329 3.960 0.001 0.000 0.309 487 G HA3 0.368 4.329 3.960 0.001 0.000 0.309 487 G C 0.169 174.643 174.900 -0.709 0.000 1.328 487 G CA -0.625 44.120 45.100 -0.591 0.000 1.034 487 G HN 0.762 nan 8.290 nan 0.000 0.518 488 R N 2.259 122.554 120.500 -0.343 0.000 2.057 488 R HA 0.027 4.367 4.340 0.001 0.000 0.229 488 R C 0.898 176.911 176.300 -0.479 0.000 1.136 488 R CA 1.349 57.262 56.100 -0.311 0.000 0.952 488 R CB -0.185 30.028 30.300 -0.146 0.000 0.848 488 R HN 0.615 nan 8.270 nan 0.000 0.430 489 W N -0.372 120.912 121.300 -0.027 0.000 3.123 489 W HA 0.516 5.177 4.660 0.001 0.000 0.383 489 W C 0.021 176.369 176.519 -0.285 0.000 1.102 489 W CA 0.076 57.349 57.345 -0.120 0.000 1.865 489 W CB 0.799 30.195 29.460 -0.108 0.000 1.111 489 W HN 0.205 nan 8.180 nan 0.000 0.621 490 G N -0.152 108.481 108.800 -0.278 0.000 2.746 490 G HA2 0.430 4.390 3.960 0.001 0.000 0.297 490 G HA3 0.430 4.390 3.960 0.001 0.000 0.297 490 G C -1.538 173.186 174.900 -0.293 0.000 1.426 490 G CA -0.798 43.793 45.100 -0.849 0.000 0.989 490 G HN -0.241 nan 8.290 nan 0.000 0.520 491 V N 2.725 122.628 119.914 -0.017 0.000 2.387 491 V HA 0.320 4.441 4.120 0.001 0.000 0.260 491 V C 0.464 176.660 176.094 0.170 0.000 1.054 491 V CA -0.111 62.274 62.300 0.141 0.000 0.967 491 V CB 0.452 32.398 31.823 0.206 0.000 1.036 491 V HN 0.856 nan 8.190 nan 0.000 0.481 492 N N 3.546 122.276 118.700 0.051 0.000 2.796 492 N HA 0.039 4.780 4.740 0.001 0.000 0.334 492 N C 1.088 176.412 175.510 -0.310 0.000 1.095 492 N CA 0.057 52.953 53.050 -0.258 0.000 1.617 492 N CB -0.075 38.060 38.487 -0.585 0.000 0.807 492 N HN 0.282 nan 8.380 nan 0.000 1.462 493 Y N 1.935 122.184 120.300 -0.086 0.000 2.373 493 Y HA 0.274 4.825 4.550 0.001 0.000 0.293 493 Y C 2.267 178.146 175.900 -0.035 0.000 1.129 493 Y CA 0.803 58.836 58.100 -0.113 0.000 1.226 493 Y CB -0.045 38.323 38.460 -0.152 0.000 1.000 493 Y HN 0.154 nan 8.280 nan 0.000 0.549 494 L N -1.841 119.551 121.223 0.281 0.000 2.109 494 L HA -0.219 4.122 4.340 0.001 0.000 0.207 494 L C 2.211 179.151 176.870 0.117 0.000 1.086 494 L CA 1.144 56.157 54.840 0.288 0.000 0.760 494 L CB -0.533 41.725 42.059 0.332 0.000 0.910 494 L HN 0.227 nan 8.230 nan 0.000 0.437 495 Y N 0.668 120.879 120.300 -0.149 0.000 2.163 495 Y HA -0.149 4.402 4.550 0.001 0.000 0.288 495 Y C 2.239 177.825 175.900 -0.524 0.000 1.136 495 Y CA 1.499 59.191 58.100 -0.680 0.000 1.147 495 Y CB -0.714 37.255 38.460 -0.819 0.000 0.987 495 Y HN 0.046 nan 8.280 nan 0.000 0.509 496 G N -1.213 107.337 108.800 -0.417 0.000 2.414 496 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 496 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 496 G C 1.671 176.416 174.900 -0.259 0.000 1.188 496 G CA 1.391 46.252 45.100 -0.398 0.000 0.783 496 G HN 0.405 nan 8.290 nan 0.000 0.537 497 T N 1.189 115.707 114.554 -0.060 0.000 2.665 497 T HA -0.117 4.233 4.350 0.001 0.000 0.268 497 T C 2.466 177.126 174.700 -0.066 0.000 1.035 497 T CA 1.704 63.855 62.100 0.086 0.000 1.151 497 T CB -0.766 68.144 68.868 0.069 0.000 0.862 497 T HN 0.370 nan 8.240 nan 0.000 0.438 498 G N 1.212 109.926 108.800 -0.143 0.000 2.459 498 G HA2 -0.111 3.849 3.960 0.001 0.000 0.217 498 G HA3 -0.111 3.849 3.960 0.001 0.000 0.217 498 G C 1.840 176.587 174.900 -0.255 0.000 1.183 498 G CA 1.135 46.131 45.100 -0.173 0.000 0.776 498 G HN 0.608 nan 8.290 nan 0.000 0.552 499 A N 0.081 122.646 122.820 -0.425 0.000 1.851 499 A HA -0.004 4.317 4.320 0.001 0.000 0.216 499 A C 2.644 180.008 177.584 -0.367 0.000 1.195 499 A CA 2.295 54.080 52.037 -0.421 0.000 0.622 499 A CB -0.974 17.615 19.000 -0.684 0.000 0.831 499 A HN 0.315 nan 8.150 nan 0.000 0.444 500 V N -0.283 119.344 119.914 -0.478 0.000 2.214 500 V HA -0.299 3.822 4.120 0.001 0.000 0.247 500 V C 2.577 178.407 176.094 -0.439 0.000 1.051 500 V CA 2.256 64.186 62.300 -0.618 0.000 1.003 500 V CB -1.175 29.893 31.823 -1.257 0.000 0.635 500 V HN 0.380 nan 8.190 nan 0.000 0.447 501 V N -0.052 119.666 119.914 -0.326 0.000 2.278 501 V HA -0.334 3.786 4.120 0.001 0.000 0.251 501 V C 2.714 178.720 176.094 -0.147 0.000 1.062 501 V CA 2.582 64.779 62.300 -0.173 0.000 1.038 501 V CB -0.995 30.795 31.823 -0.056 0.000 0.646 501 V HN 0.650 nan 8.190 nan 0.000 0.447 502 S N -0.425 115.191 115.700 -0.141 0.000 2.359 502 S HA -0.217 4.253 4.470 0.001 0.000 0.224 502 S C 2.117 176.639 174.600 -0.130 0.000 1.035 502 S CA 1.828 59.967 58.200 -0.102 0.000 1.018 502 S CB -0.387 62.771 63.200 -0.070 0.000 0.876 502 S HN 0.650 nan 8.310 nan 0.000 0.448 503 A N 1.740 124.455 122.820 -0.176 0.000 1.851 503 A HA 0.009 4.330 4.320 0.001 0.000 0.216 503 A C 2.270 179.765 177.584 -0.149 0.000 1.195 503 A CA 1.693 53.615 52.037 -0.193 0.000 0.622 503 A CB -1.169 17.696 19.000 -0.224 0.000 0.831 503 A HN 0.577 nan 8.150 nan 0.000 0.444 504 L N -0.579 120.552 121.223 -0.152 0.000 2.089 504 L HA -0.259 4.081 4.340 0.001 0.000 0.213 504 L C 2.717 179.552 176.870 -0.057 0.000 1.079 504 L CA 1.800 56.586 54.840 -0.089 0.000 0.758 504 L CB -0.489 41.506 42.059 -0.107 0.000 0.891 504 L HN 0.360 nan 8.230 nan 0.000 0.433 505 K N 0.577 120.932 120.400 -0.074 0.000 2.057 505 K HA -0.148 4.172 4.320 0.001 0.000 0.207 505 K C 2.051 178.628 176.600 -0.039 0.000 1.049 505 K CA 1.714 57.972 56.287 -0.048 0.000 0.931 505 K CB -0.203 32.268 32.500 -0.048 0.000 0.714 505 K HN 0.292 nan 8.250 nan 0.000 0.440 506 A N 0.744 123.523 122.820 -0.069 0.000 2.015 506 A HA -0.085 4.236 4.320 0.001 0.000 0.219 506 A C 1.790 179.355 177.584 -0.031 0.000 1.163 506 A CA 1.496 53.486 52.037 -0.079 0.000 0.646 506 A CB -0.388 18.508 19.000 -0.173 0.000 0.806 506 A HN 0.187 nan 8.150 nan 0.000 0.448 507 V N -3.541 116.370 119.914 -0.005 0.000 3.337 507 V HA 0.547 4.668 4.120 0.001 0.000 0.343 507 V C 1.293 177.432 176.094 0.075 0.000 1.302 507 V CA 0.483 62.822 62.300 0.064 0.000 1.268 507 V CB -1.137 30.741 31.823 0.091 0.000 1.185 507 V HN 1.263 nan 8.190 nan 0.000 0.447 508 G N 0.337 109.166 108.800 0.048 0.000 2.347 508 G HA2 -0.268 3.693 3.960 0.001 0.000 0.247 508 G HA3 -0.268 3.693 3.960 0.001 0.000 0.247 508 G C 0.208 175.138 174.900 0.051 0.000 1.037 508 G CA 0.180 45.310 45.100 0.051 0.000 0.622 508 G HN 0.480 nan 8.290 nan 0.000 0.521 509 I N 1.901 122.507 120.570 0.059 0.000 3.110 509 I HA 0.037 4.207 4.170 0.001 0.000 0.305 509 I C 0.761 176.909 176.117 0.052 0.000 1.232 509 I CA 0.156 61.500 61.300 0.074 0.000 1.431 509 I CB 0.003 38.058 38.000 0.092 0.000 1.320 509 I HN 0.338 nan 8.210 nan 0.000 0.583 510 D N 2.681 123.121 120.400 0.068 0.000 2.317 510 D HA 0.108 4.749 4.640 0.001 0.000 0.252 510 D C 1.240 177.549 176.300 0.015 0.000 1.174 510 D CA -0.112 53.916 54.000 0.047 0.000 0.866 510 D CB 0.888 41.726 40.800 0.064 0.000 1.127 510 D HN 0.664 nan 8.370 nan 0.000 0.467 511 T N 1.178 115.729 114.554 -0.005 0.000 3.072 511 T HA -0.102 4.248 4.350 0.001 0.000 0.266 511 T C 1.681 176.366 174.700 -0.025 0.000 1.127 511 T CA 0.425 62.504 62.100 -0.034 0.000 1.107 511 T CB -0.033 68.822 68.868 -0.020 0.000 0.910 511 T HN 0.375 nan 8.240 nan 0.000 0.513 512 R N 0.848 121.351 120.500 0.005 0.000 2.200 512 R HA 0.072 4.412 4.340 0.001 0.000 0.208 512 R C 0.390 176.710 176.300 0.033 0.000 1.033 512 R CA 0.084 56.195 56.100 0.019 0.000 1.000 512 R CB 0.028 30.346 30.300 0.030 0.000 0.906 512 R HN 0.437 nan 8.270 nan 0.000 0.462 513 E N 0.735 120.965 120.200 0.050 0.000 2.516 513 E HA -0.127 4.224 4.350 0.001 0.000 0.270 513 E C -1.875 174.791 176.600 0.109 0.000 1.130 513 E CA -0.669 55.807 56.400 0.127 0.000 1.023 513 E CB 0.228 30.093 29.700 0.275 0.000 1.004 513 E HN 0.135 nan 8.360 nan 0.000 0.463 514 P HA -0.158 nan 4.420 nan 0.000 0.213 514 P C 1.419 178.819 177.300 0.166 0.000 1.170 514 P CA 1.521 64.710 63.100 0.148 0.000 0.889 514 P CB -0.223 31.561 31.700 0.140 0.000 0.782 515 Y N -0.920 119.399 120.300 0.030 0.000 2.315 515 Y HA -0.141 4.410 4.550 0.001 0.000 0.288 515 Y C 1.803 177.741 175.900 0.064 0.000 1.154 515 Y CA 0.671 58.782 58.100 0.019 0.000 1.229 515 Y CB -1.965 36.517 38.460 0.038 0.000 0.980 515 Y HN -0.101 nan 8.280 nan 0.000 0.540 516 I N 0.478 120.771 120.570 -0.461 0.000 2.286 516 I HA -0.178 3.993 4.170 0.001 0.000 0.245 516 I C 2.226 178.289 176.117 -0.090 0.000 1.104 516 I CA 1.088 62.181 61.300 -0.346 0.000 1.397 516 I CB -1.136 36.638 38.000 -0.378 0.000 1.072 516 I HN 0.324 nan 8.210 nan 0.000 0.417 517 Q N 0.843 120.618 119.800 -0.042 0.000 2.083 517 Q HA -0.177 4.164 4.340 0.001 0.000 0.198 517 Q C 2.190 178.215 176.000 0.041 0.000 0.969 517 Q CA 1.135 56.947 55.803 0.015 0.000 0.838 517 Q CB -0.379 28.376 28.738 0.028 0.000 0.900 517 Q HN 0.463 nan 8.270 nan 0.000 0.436 518 K N 0.346 120.766 120.400 0.035 0.000 2.152 518 K HA -0.123 4.198 4.320 0.001 0.000 0.206 518 K C 1.865 178.499 176.600 0.058 0.000 1.048 518 K CA 1.108 57.421 56.287 0.043 0.000 0.933 518 K CB 0.051 32.560 32.500 0.015 0.000 0.721 518 K HN 0.153 nan 8.250 nan 0.000 0.447 519 A N 1.001 123.836 122.820 0.025 0.000 1.843 519 A HA -0.051 4.270 4.320 0.001 0.000 0.213 519 A C 2.036 179.730 177.584 0.182 0.000 1.202 519 A CA 0.819 52.891 52.037 0.058 0.000 0.607 519 A CB -0.627 18.417 19.000 0.074 0.000 0.847 519 A HN 0.260 nan 8.150 nan 0.000 0.445 520 L N -0.122 121.175 121.223 0.123 0.000 2.021 520 L HA -0.288 4.053 4.340 0.001 0.000 0.215 520 L C 2.240 179.207 176.870 0.161 0.000 1.074 520 L CA 1.777 56.690 54.840 0.122 0.000 0.760 520 L CB -0.743 41.358 42.059 0.071 0.000 0.889 520 L HN 0.384 nan 8.230 nan 0.000 0.433 521 D N -0.985 119.508 120.400 0.154 0.000 2.092 521 D HA -0.254 4.386 4.640 0.001 0.000 0.193 521 D C 1.669 178.094 176.300 0.208 0.000 0.994 521 D CA 1.320 55.410 54.000 0.150 0.000 0.828 521 D CB -0.350 40.521 40.800 0.119 0.000 0.963 521 D HN 0.438 nan 8.370 nan 0.000 0.450 522 W N 1.606 122.952 121.300 0.076 0.000 2.308 522 W HA -0.267 4.394 4.660 0.001 0.000 0.301 522 W C 2.117 178.767 176.519 0.219 0.000 1.220 522 W CA 1.491 58.912 57.345 0.126 0.000 1.240 522 W CB -0.287 29.191 29.460 0.030 0.000 1.142 522 W HN -0.214 nan 8.180 nan 0.000 0.521 523 V N 0.771 120.906 119.914 0.368 0.000 2.270 523 V HA -0.307 3.814 4.120 0.001 0.000 0.245 523 V C 2.178 178.454 176.094 0.304 0.000 1.043 523 V CA 2.421 64.846 62.300 0.208 0.000 1.014 523 V CB -0.990 30.909 31.823 0.127 0.000 0.645 523 V HN 0.186 nan 8.190 nan 0.000 0.447 524 E N -0.221 120.139 120.200 0.266 0.000 2.118 524 E HA -0.291 4.060 4.350 0.001 0.000 0.195 524 E C 2.209 178.883 176.600 0.124 0.000 0.992 524 E CA 1.283 57.846 56.400 0.272 0.000 0.804 524 E CB -0.194 29.604 29.700 0.163 0.000 0.741 524 E HN 0.665 nan 8.360 nan 0.000 0.458 525 Q N -0.353 119.467 119.800 0.033 0.000 2.437 525 Q HA -0.127 4.213 4.340 0.001 0.000 0.210 525 Q C 0.621 176.407 176.000 -0.358 0.000 0.972 525 Q CA 0.829 56.540 55.803 -0.153 0.000 0.903 525 Q CB 0.064 28.682 28.738 -0.200 0.000 0.967 525 Q HN 0.417 nan 8.270 nan 0.000 0.486 526 H N -1.226 117.717 119.070 -0.212 0.000 2.674 526 H HA 0.150 4.706 4.556 0.001 0.000 0.274 526 H C -0.381 174.801 175.328 -0.243 0.000 1.121 526 H CA -0.264 55.647 56.048 -0.228 0.000 1.132 526 H CB 0.416 29.968 29.762 -0.350 0.000 1.606 526 H HN 0.088 nan 8.280 nan 0.000 0.558 527 Q N 2.052 121.656 119.800 -0.327 0.000 2.262 527 Q HA 0.002 4.342 4.340 0.001 0.000 0.272 527 Q C -0.245 175.405 176.000 -0.584 0.000 1.076 527 Q CA -0.400 54.804 55.803 -0.998 0.000 0.905 527 Q CB 0.393 28.541 28.738 -0.985 0.000 1.182 527 Q HN 0.354 nan 8.270 nan 0.000 0.390 528 N N 4.731 123.117 118.700 -0.523 0.000 2.297 528 N HA -0.021 4.719 4.740 0.001 0.000 0.232 528 N C -1.827 173.533 175.510 -0.250 0.000 1.311 528 N CA -0.988 51.889 53.050 -0.287 0.000 0.897 528 N CB 0.070 38.439 38.487 -0.196 0.000 1.137 528 N HN 0.495 nan 8.380 nan 0.000 0.449 529 P HA -0.142 nan 4.420 nan 0.000 0.214 529 P C 0.282 177.531 177.300 -0.084 0.000 1.163 529 P CA 1.468 64.501 63.100 -0.111 0.000 0.883 529 P CB -0.051 31.607 31.700 -0.071 0.000 0.788 530 D N -1.827 118.552 120.400 -0.034 0.000 2.420 530 D HA -0.001 4.639 4.640 0.001 0.000 0.233 530 D C 1.430 177.791 176.300 0.101 0.000 1.017 530 D CA 1.097 55.127 54.000 0.050 0.000 0.951 530 D CB -1.064 39.819 40.800 0.138 0.000 0.877 530 D HN 0.313 nan 8.370 nan 0.000 0.528 531 G N -1.275 107.483 108.800 -0.070 0.000 2.299 531 G HA2 -0.215 3.745 3.960 0.001 0.000 0.237 531 G HA3 -0.215 3.745 3.960 0.001 0.000 0.237 531 G C 0.711 175.403 174.900 -0.348 0.000 1.027 531 G CA 0.094 45.107 45.100 -0.144 0.000 0.619 531 G HN 0.856 nan 8.290 nan 0.000 0.513 532 G N -1.475 107.133 108.800 -0.320 0.000 2.543 532 G HA2 0.494 4.454 3.960 0.001 0.000 0.290 532 G HA3 0.494 4.454 3.960 0.001 0.000 0.290 532 G C -0.254 174.311 174.900 -0.559 0.000 1.310 532 G CA -0.285 44.391 45.100 -0.707 0.000 1.025 532 G HN 0.309 nan 8.290 nan 0.000 0.502 533 W N -1.566 119.509 121.300 -0.375 0.000 2.882 533 W HA 0.613 5.274 4.660 0.001 0.000 0.345 533 W C -0.009 176.395 176.519 -0.191 0.000 1.125 533 W CA -0.591 56.631 57.345 -0.205 0.000 1.167 533 W CB 2.464 31.841 29.460 -0.139 0.000 1.431 533 W HN 0.864 nan 8.180 nan 0.000 0.543 534 G N 1.335 110.214 108.800 0.131 0.000 2.755 534 G HA2 0.431 4.392 3.960 0.001 0.000 0.297 534 G HA3 0.431 4.392 3.960 0.001 0.000 0.297 534 G C -2.240 172.702 174.900 0.069 0.000 1.441 534 G CA -0.612 44.513 45.100 0.041 0.000 0.964 534 G HN 0.314 nan 8.290 nan 0.000 0.540 535 E N 0.813 121.046 120.200 0.054 0.000 2.241 535 E HA 0.375 4.725 4.350 0.001 0.000 0.263 535 E C -1.352 175.230 176.600 -0.030 0.000 0.882 535 E CA -0.656 55.784 56.400 0.067 0.000 0.769 535 E CB 2.186 31.968 29.700 0.136 0.000 1.185 535 E HN 0.445 nan 8.360 nan 0.000 0.415 536 D N 2.155 122.504 120.400 -0.085 0.000 2.304 536 D HA 0.092 4.733 4.640 0.001 0.000 0.247 536 D C 0.447 176.578 176.300 -0.282 0.000 1.089 536 D CA -0.389 53.479 54.000 -0.220 0.000 0.910 536 D CB 0.926 41.522 40.800 -0.340 0.000 1.199 536 D HN 0.473 nan 8.370 nan 0.000 0.426 537 C N 2.257 121.279 119.300 -0.463 0.000 2.443 537 C HA -0.013 4.447 4.460 0.001 0.000 0.290 537 C C 2.167 176.856 174.990 -0.503 0.000 1.476 537 C CA 0.201 58.789 59.018 -0.717 0.000 1.772 537 C CB -1.299 25.342 27.740 -1.830 0.000 1.714 537 C HN 0.598 nan 8.230 nan 0.000 0.562 538 R N 1.206 121.479 120.500 -0.378 0.000 2.235 538 R HA -0.071 4.269 4.340 0.001 0.000 0.213 538 R C 2.175 178.487 176.300 0.020 0.000 1.059 538 R CA 1.363 57.355 56.100 -0.180 0.000 0.997 538 R CB -0.242 29.757 30.300 -0.502 0.000 0.884 538 R HN 0.698 nan 8.270 nan 0.000 0.462 539 S N -0.388 115.298 115.700 -0.024 0.000 2.537 539 S HA -0.130 4.341 4.470 0.001 0.000 0.240 539 S C 1.202 175.825 174.600 0.039 0.000 0.981 539 S CA 0.749 58.996 58.200 0.077 0.000 0.948 539 S CB -0.243 62.984 63.200 0.045 0.000 0.759 539 S HN 0.322 nan 8.310 nan 0.000 0.531 540 Y N 1.335 121.753 120.300 0.197 0.000 2.436 540 Y HA 0.288 4.839 4.550 0.001 0.000 0.288 540 Y C 2.579 178.616 175.900 0.228 0.000 1.112 540 Y CA 0.421 58.667 58.100 0.244 0.000 1.220 540 Y CB 0.036 38.647 38.460 0.251 0.000 1.073 540 Y HN 0.241 nan 8.280 nan 0.000 0.552 541 E N -0.232 120.168 120.200 0.333 0.000 2.127 541 E HA -0.037 4.314 4.350 0.001 0.000 0.191 541 E C -0.149 176.588 176.600 0.228 0.000 0.964 541 E CA 0.793 57.351 56.400 0.264 0.000 0.832 541 E CB 0.070 29.919 29.700 0.248 0.000 0.790 541 E HN 0.253 nan 8.360 nan 0.000 0.465 542 D N 0.630 121.179 120.400 0.249 0.000 2.505 542 D HA 0.110 4.751 4.640 0.001 0.000 0.250 542 D C -1.978 174.454 176.300 0.220 0.000 1.164 542 D CA -2.248 51.889 54.000 0.229 0.000 0.870 542 D CB 1.818 42.778 40.800 0.267 0.000 1.160 542 D HN -0.245 nan 8.370 nan 0.000 0.549 543 P HA -0.144 nan 4.420 nan 0.000 0.226 543 P C 0.910 178.246 177.300 0.061 0.000 1.146 543 P CA 0.563 63.725 63.100 0.104 0.000 0.773 543 P CB 0.221 31.959 31.700 0.065 0.000 0.772 544 A N -1.371 121.466 122.820 0.028 0.000 2.119 544 A HA -0.112 4.208 4.320 0.001 0.000 0.217 544 A C 1.558 179.057 177.584 -0.143 0.000 1.153 544 A CA 0.759 52.742 52.037 -0.091 0.000 0.692 544 A CB -1.250 17.636 19.000 -0.190 0.000 0.799 544 A HN 0.126 nan 8.150 nan 0.000 0.458 545 Y N -0.391 119.944 120.300 0.058 0.000 2.457 545 Y HA 0.434 4.985 4.550 0.001 0.000 0.263 545 Y C 1.462 177.410 175.900 0.081 0.000 1.164 545 Y CA -0.431 57.704 58.100 0.058 0.000 1.274 545 Y CB -0.199 38.288 38.460 0.045 0.000 1.097 545 Y HN 0.268 nan 8.280 nan 0.000 0.523 546 A N 0.415 123.358 122.820 0.205 0.000 2.505 546 A HA 0.396 4.716 4.320 0.001 0.000 0.271 546 A C 1.605 179.305 177.584 0.193 0.000 1.112 546 A CA 0.913 53.058 52.037 0.181 0.000 0.781 546 A CB -1.084 17.850 19.000 -0.111 0.000 1.059 546 A HN 0.878 nan 8.150 nan 0.000 0.508 547 G N 2.140 111.072 108.800 0.220 0.000 2.179 547 G HA2 -0.232 3.729 3.960 0.001 0.000 0.260 547 G HA3 -0.232 3.729 3.960 0.001 0.000 0.260 547 G C 0.198 175.210 174.900 0.188 0.000 0.977 547 G CA 0.792 45.920 45.100 0.047 0.000 0.641 547 G HN 0.810 nan 8.290 nan 0.000 0.533 548 K N 0.002 120.529 120.400 0.212 0.000 2.203 548 K HA 0.687 5.008 4.320 0.001 0.000 0.251 548 K C 0.381 177.082 176.600 0.168 0.000 0.944 548 K CA 0.033 56.430 56.287 0.183 0.000 0.829 548 K CB 2.018 34.624 32.500 0.178 0.000 1.125 548 K HN 1.123 nan 8.250 nan 0.000 0.430 549 G N 0.257 109.108 108.800 0.086 0.000 2.353 549 G HA2 0.302 4.263 3.960 0.001 0.000 0.308 549 G HA3 0.302 4.263 3.960 0.001 0.000 0.308 549 G C -1.518 173.331 174.900 -0.085 0.000 1.418 549 G CA -0.638 44.453 45.100 -0.014 0.000 0.966 549 G HN 0.654 nan 8.290 nan 0.000 0.638 550 A N 0.293 122.986 122.820 -0.212 0.000 2.498 550 A HA 0.612 4.932 4.320 0.001 0.000 0.239 550 A C 1.067 178.587 177.584 -0.106 0.000 1.068 550 A CA 0.918 52.855 52.037 -0.166 0.000 0.766 550 A CB 0.024 18.860 19.000 -0.273 0.000 1.003 550 A HN 1.740 nan 8.150 nan 0.000 0.497 551 S N 0.858 116.550 115.700 -0.013 0.000 2.549 551 S HA 0.464 4.935 4.470 0.001 0.000 0.279 551 S C 0.615 175.240 174.600 0.042 0.000 1.321 551 S CA 0.292 58.460 58.200 -0.054 0.000 1.054 551 S CB 0.429 63.535 63.200 -0.157 0.000 0.899 551 S HN 1.029 nan 8.310 nan 0.000 0.497 552 T N 0.723 115.251 114.554 -0.044 0.000 2.907 552 T HA 0.489 4.839 4.350 0.001 0.000 0.292 552 T C -2.592 172.034 174.700 -0.124 0.000 1.043 552 T CA -2.237 59.878 62.100 0.025 0.000 1.003 552 T CB 1.710 70.600 68.868 0.036 0.000 1.084 552 T HN 0.096 nan 8.240 nan 0.000 0.483 553 P HA -0.169 nan 4.420 nan 0.000 0.215 553 P C 1.975 179.025 177.300 -0.416 0.000 1.157 553 P CA 1.698 64.642 63.100 -0.260 0.000 0.868 553 P CB -0.024 31.500 31.700 -0.293 0.000 0.788 554 S N -0.310 115.133 115.700 -0.429 0.000 2.343 554 S HA -0.253 4.217 4.470 0.001 0.000 0.219 554 S C 2.070 175.905 174.600 -1.275 0.000 1.033 554 S CA 1.175 58.904 58.200 -0.787 0.000 1.014 554 S CB -1.617 61.149 63.200 -0.724 0.000 0.915 554 S HN 0.181 nan 8.310 nan 0.000 0.435 555 Q N 0.635 119.865 119.800 -0.950 0.000 2.170 555 Q HA -0.067 4.273 4.340 0.001 0.000 0.203 555 Q C 2.335 178.166 176.000 -0.282 0.000 0.976 555 Q CA 1.743 57.215 55.803 -0.552 0.000 0.858 555 Q CB -0.635 28.013 28.738 -0.150 0.000 0.907 555 Q HN 0.636 nan 8.270 nan 0.000 0.433 556 T N 0.718 115.106 114.554 -0.277 0.000 2.737 556 T HA -0.132 4.219 4.350 0.001 0.000 0.265 556 T C 1.920 176.495 174.700 -0.208 0.000 1.038 556 T CA 1.202 63.236 62.100 -0.111 0.000 1.144 556 T CB -0.262 68.454 68.868 -0.254 0.000 0.866 556 T HN 0.412 nan 8.240 nan 0.000 0.434 557 A N 0.797 123.421 122.820 -0.326 0.000 1.972 557 A HA -0.096 4.225 4.320 0.001 0.000 0.219 557 A C 2.103 179.592 177.584 -0.158 0.000 1.169 557 A CA 1.176 53.056 52.037 -0.262 0.000 0.635 557 A CB -0.808 18.021 19.000 -0.285 0.000 0.810 557 A HN 0.568 nan 8.150 nan 0.000 0.446 558 W N -0.499 120.643 121.300 -0.264 0.000 2.379 558 W HA 0.042 4.702 4.660 0.001 0.000 0.307 558 W C 2.815 179.138 176.519 -0.325 0.000 1.200 558 W CA 0.664 57.839 57.345 -0.283 0.000 1.297 558 W CB -1.328 27.974 29.460 -0.262 0.000 1.140 558 W HN 0.415 nan 8.180 nan 0.000 0.507 559 A N -0.052 122.614 122.820 -0.257 0.000 1.972 559 A HA -0.138 4.182 4.320 0.001 0.000 0.219 559 A C 2.028 179.222 177.584 -0.649 0.000 1.169 559 A CA 1.387 53.030 52.037 -0.657 0.000 0.635 559 A CB -0.864 17.160 19.000 -1.627 0.000 0.810 559 A HN 0.169 nan 8.150 nan 0.000 0.446 560 L N -0.690 120.221 121.223 -0.521 0.000 2.141 560 L HA -0.050 4.290 4.340 0.001 0.000 0.209 560 L C 2.467 179.251 176.870 -0.143 0.000 1.094 560 L CA 1.724 56.382 54.840 -0.303 0.000 0.763 560 L CB -0.507 41.442 42.059 -0.184 0.000 0.908 560 L HN 0.423 nan 8.230 nan 0.000 0.437 561 M N -2.015 117.527 119.600 -0.095 0.000 2.288 561 M HA -0.080 4.401 4.480 0.001 0.000 0.266 561 M C 2.232 178.507 176.300 -0.043 0.000 1.072 561 M CA 1.266 56.550 55.300 -0.027 0.000 1.132 561 M CB -0.423 32.192 32.600 0.025 0.000 1.386 561 M HN 0.320 nan 8.290 nan 0.000 0.432 562 A N 0.848 123.620 122.820 -0.080 0.000 1.902 562 A HA -0.114 4.207 4.320 0.001 0.000 0.217 562 A C 2.092 179.651 177.584 -0.041 0.000 1.181 562 A CA 1.366 53.366 52.037 -0.062 0.000 0.623 562 A CB -0.812 18.150 19.000 -0.063 0.000 0.818 562 A HN 0.430 nan 8.150 nan 0.000 0.443 563 L N -0.573 120.612 121.223 -0.062 0.000 2.023 563 L HA -0.131 4.210 4.340 0.001 0.000 0.205 563 L C 2.499 179.382 176.870 0.021 0.000 1.073 563 L CA 1.203 56.037 54.840 -0.011 0.000 0.745 563 L CB -0.566 41.489 42.059 -0.008 0.000 0.900 563 L HN 0.354 nan 8.230 nan 0.000 0.435 564 I N 0.194 120.779 120.570 0.026 0.000 2.208 564 I HA -0.324 3.847 4.170 0.001 0.000 0.245 564 I C 2.808 178.944 176.117 0.033 0.000 1.097 564 I CA 1.313 62.649 61.300 0.060 0.000 1.363 564 I CB -0.565 37.482 38.000 0.079 0.000 1.051 564 I HN 0.235 nan 8.210 nan 0.000 0.413 565 A N 0.889 123.716 122.820 0.011 0.000 1.898 565 A HA -0.075 4.245 4.320 0.001 0.000 0.216 565 A C 2.293 179.874 177.584 -0.005 0.000 1.181 565 A CA 1.706 53.741 52.037 -0.003 0.000 0.620 565 A CB -1.235 17.751 19.000 -0.023 0.000 0.819 565 A HN 0.468 nan 8.150 nan 0.000 0.442 566 G N -2.101 106.697 108.800 -0.002 0.000 2.956 566 G HA2 0.355 4.315 3.960 0.001 0.000 0.207 566 G HA3 0.355 4.315 3.960 0.001 0.000 0.207 566 G C 1.182 176.090 174.900 0.014 0.000 1.162 566 G CA 0.648 45.748 45.100 -0.001 0.000 0.796 566 G HN 1.630 nan 8.290 nan 0.000 0.527 567 G N 0.390 109.203 108.800 0.022 0.000 2.268 567 G HA2 -0.297 3.663 3.960 0.001 0.000 0.240 567 G HA3 -0.297 3.663 3.960 0.001 0.000 0.240 567 G C 1.066 175.993 174.900 0.045 0.000 1.010 567 G CA 0.182 45.300 45.100 0.029 0.000 0.618 567 G HN 0.549 nan 8.290 nan 0.000 0.516 568 R N 0.972 121.504 120.500 0.053 0.000 3.385 568 R HA 0.503 4.843 4.340 0.001 0.000 0.236 568 R C 2.286 178.646 176.300 0.100 0.000 1.663 568 R CA 0.482 56.625 56.100 0.071 0.000 1.444 568 R CB -0.149 30.195 30.300 0.073 0.000 1.218 568 R HN 0.465 nan 8.270 nan 0.000 0.575 569 A N 1.014 123.899 122.820 0.107 0.000 1.969 569 A HA -0.148 4.172 4.320 0.001 0.000 0.218 569 A C 1.557 179.280 177.584 0.232 0.000 1.169 569 A CA 0.896 53.040 52.037 0.179 0.000 0.635 569 A CB 0.022 19.105 19.000 0.139 0.000 0.810 569 A HN 0.367 nan 8.150 nan 0.000 0.445 570 E N 0.226 120.512 120.200 0.142 0.000 2.336 570 E HA 0.236 4.587 4.350 0.001 0.000 0.214 570 E C 0.084 176.758 176.600 0.123 0.000 1.144 570 E CA -0.245 56.235 56.400 0.133 0.000 1.294 570 E CB -0.064 29.681 29.700 0.076 0.000 1.263 570 E HN 0.448 nan 8.360 nan 0.000 0.439 571 S N -0.517 115.265 115.700 0.137 0.000 2.758 571 S HA 0.150 4.621 4.470 0.001 0.000 0.292 571 S C 0.984 175.651 174.600 0.112 0.000 1.131 571 S CA -0.556 57.711 58.200 0.111 0.000 0.997 571 S CB 1.563 64.828 63.200 0.109 0.000 1.111 571 S HN 0.312 nan 8.310 nan 0.000 0.552 572 E N 1.490 121.742 120.200 0.086 0.000 2.008 572 E HA 0.089 4.439 4.350 0.001 0.000 0.191 572 E C 2.061 178.704 176.600 0.072 0.000 0.986 572 E CA 1.948 58.389 56.400 0.068 0.000 0.807 572 E CB -0.943 28.782 29.700 0.043 0.000 0.766 572 E HN 0.672 nan 8.360 nan 0.000 0.450 573 A N 1.212 124.082 122.820 0.085 0.000 1.927 573 A HA -0.225 4.095 4.320 0.001 0.000 0.220 573 A C 2.466 180.175 177.584 0.209 0.000 1.185 573 A CA 2.841 54.949 52.037 0.117 0.000 0.639 573 A CB -1.347 17.777 19.000 0.207 0.000 0.820 573 A HN 0.435 nan 8.150 nan 0.000 0.451 574 A N -0.580 122.358 122.820 0.196 0.000 1.835 574 A HA -0.195 4.125 4.320 0.001 0.000 0.215 574 A C 2.276 179.893 177.584 0.055 0.000 1.199 574 A CA 1.947 54.078 52.037 0.158 0.000 0.615 574 A CB -0.597 18.496 19.000 0.154 0.000 0.838 574 A HN 0.556 nan 8.150 nan 0.000 0.444 575 R N -0.930 119.619 120.500 0.082 0.000 2.120 575 R HA -0.126 4.215 4.340 0.001 0.000 0.234 575 R C 2.388 178.711 176.300 0.038 0.000 1.123 575 R CA 1.140 57.277 56.100 0.062 0.000 0.975 575 R CB -0.185 30.203 30.300 0.147 0.000 0.866 575 R HN 0.397 nan 8.270 nan 0.000 0.446 576 R N -0.476 120.050 120.500 0.044 0.000 2.070 576 R HA -0.089 4.251 4.340 0.001 0.000 0.233 576 R C 2.272 178.591 176.300 0.032 0.000 1.137 576 R CA 1.642 57.752 56.100 0.017 0.000 0.945 576 R CB -0.946 29.330 30.300 -0.040 0.000 0.845 576 R HN 0.414 nan 8.270 nan 0.000 0.430 577 G N 0.458 109.294 108.800 0.060 0.000 2.422 577 G HA2 -0.186 3.775 3.960 0.001 0.000 0.218 577 G HA3 -0.186 3.775 3.960 0.001 0.000 0.218 577 G C 1.554 176.524 174.900 0.118 0.000 1.146 577 G CA 0.854 46.048 45.100 0.155 0.000 0.769 577 G HN 0.180 nan 8.290 nan 0.000 0.547 578 V N 0.440 120.346 119.914 -0.014 0.000 2.407 578 V HA -0.210 3.910 4.120 0.001 0.000 0.248 578 V C 2.728 178.871 176.094 0.082 0.000 1.055 578 V CA 2.101 64.353 62.300 -0.081 0.000 1.049 578 V CB -0.502 31.111 31.823 -0.350 0.000 0.662 578 V HN 0.370 nan 8.190 nan 0.000 0.455 579 Q N -0.112 119.745 119.800 0.095 0.000 2.061 579 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 579 Q C 2.081 178.166 176.000 0.143 0.000 0.984 579 Q CA 2.181 58.051 55.803 0.113 0.000 0.846 579 Q CB -0.790 27.997 28.738 0.081 0.000 0.902 579 Q HN 0.700 nan 8.270 nan 0.000 0.421 580 Y N 0.417 120.740 120.300 0.039 0.000 2.040 580 Y HA -0.289 4.261 4.550 0.001 0.000 0.275 580 Y C 1.783 177.760 175.900 0.129 0.000 1.171 580 Y CA 2.273 60.405 58.100 0.054 0.000 1.123 580 Y CB -0.530 37.940 38.460 0.017 0.000 0.963 580 Y HN 0.188 nan 8.280 nan 0.000 0.493 581 L N -1.102 120.405 121.223 0.474 0.000 2.127 581 L HA -0.233 4.107 4.340 0.001 0.000 0.211 581 L C 2.333 179.522 176.870 0.531 0.000 1.089 581 L CA 1.165 56.291 54.840 0.477 0.000 0.757 581 L CB -0.836 41.341 42.059 0.197 0.000 0.899 581 L HN 0.177 nan 8.230 nan 0.000 0.434 582 V N -0.094 120.006 119.914 0.311 0.000 2.307 582 V HA -0.237 3.884 4.120 0.001 0.000 0.245 582 V C 2.360 178.521 176.094 0.111 0.000 1.045 582 V CA 1.818 64.255 62.300 0.228 0.000 1.024 582 V CB -0.485 31.442 31.823 0.174 0.000 0.651 582 V HN 0.477 nan 8.190 nan 0.000 0.449 583 E N 0.758 120.987 120.200 0.048 0.000 2.028 583 E HA -0.173 4.178 4.350 0.001 0.000 0.190 583 E C 2.272 178.828 176.600 -0.074 0.000 0.984 583 E CA 1.738 58.116 56.400 -0.037 0.000 0.800 583 E CB -0.513 29.140 29.700 -0.078 0.000 0.758 583 E HN 0.749 nan 8.360 nan 0.000 0.448 584 T N -0.573 113.920 114.554 -0.102 0.000 3.025 584 T HA -0.198 4.152 4.350 0.001 0.000 0.270 584 T C 1.047 175.715 174.700 -0.054 0.000 1.126 584 T CA 0.353 62.404 62.100 -0.081 0.000 1.105 584 T CB -0.145 68.625 68.868 -0.163 0.000 0.884 584 T HN 0.045 nan 8.240 nan 0.000 0.522 585 Q N 1.292 120.999 119.800 -0.155 0.000 2.361 585 Q HA 0.120 4.461 4.340 0.001 0.000 0.276 585 Q C 0.032 175.739 176.000 -0.489 0.000 1.022 585 Q CA -0.380 54.978 55.803 -0.742 0.000 0.898 585 Q CB 0.587 28.858 28.738 -0.778 0.000 1.246 585 Q HN 0.482 nan 8.270 nan 0.000 0.410 586 R N 3.417 123.587 120.500 -0.550 0.000 2.652 586 R HA 0.103 4.443 4.340 0.001 0.000 0.271 586 R C -1.654 174.464 176.300 -0.302 0.000 1.129 586 R CA -1.433 54.465 56.100 -0.337 0.000 1.200 586 R CB -0.135 29.983 30.300 -0.303 0.000 1.146 586 R HN 0.574 nan 8.270 nan 0.000 0.581 587 P HA -0.124 nan 4.420 nan 0.000 0.217 587 P C 0.208 177.414 177.300 -0.156 0.000 1.151 587 P CA 1.221 64.228 63.100 -0.154 0.000 0.828 587 P CB 0.094 31.732 31.700 -0.104 0.000 0.788 588 D N -1.742 118.552 120.400 -0.176 0.000 2.264 588 D HA -0.007 4.633 4.640 0.001 0.000 0.208 588 D C 1.545 177.729 176.300 -0.192 0.000 0.966 588 D CA 1.488 55.408 54.000 -0.134 0.000 0.864 588 D CB -0.884 39.856 40.800 -0.100 0.000 0.933 588 D HN 0.266 nan 8.370 nan 0.000 0.499 589 G N -1.164 107.413 108.800 -0.372 0.000 2.380 589 G HA2 -0.098 3.863 3.960 0.001 0.000 0.197 589 G HA3 -0.098 3.863 3.960 0.001 0.000 0.197 589 G C 0.688 175.175 174.900 -0.688 0.000 1.001 589 G CA -0.010 44.846 45.100 -0.407 0.000 0.668 589 G HN 0.759 nan 8.290 nan 0.000 0.483 590 G N -1.363 106.856 108.800 -0.969 0.000 2.535 590 G HA2 0.488 4.448 3.960 0.001 0.000 0.282 590 G HA3 0.488 4.448 3.960 0.001 0.000 0.282 590 G C -0.202 174.442 174.900 -0.427 0.000 1.350 590 G CA -0.227 44.463 45.100 -0.684 0.000 1.039 590 G HN 0.253 nan 8.290 nan 0.000 0.509 591 W N -1.497 119.855 121.300 0.087 0.000 2.992 591 W HA 0.393 5.054 4.660 0.001 0.000 0.342 591 W C -1.017 175.499 176.519 -0.006 0.000 1.176 591 W CA -0.428 56.925 57.345 0.012 0.000 1.118 591 W CB 2.242 31.710 29.460 0.014 0.000 1.457 591 W HN 0.352 nan 8.180 nan 0.000 0.573 592 D N 0.937 121.486 120.400 0.249 0.000 2.269 592 D HA 0.303 4.944 4.640 0.001 0.000 0.244 592 D C -1.031 175.355 176.300 0.143 0.000 0.992 592 D CA -0.262 53.823 54.000 0.141 0.000 0.894 592 D CB 2.411 43.264 40.800 0.087 0.000 1.248 592 D HN 0.298 nan 8.370 nan 0.000 0.468 593 E N 1.555 121.810 120.200 0.091 0.000 2.738 593 E HA 0.131 4.482 4.350 0.001 0.000 0.347 593 E C -2.166 174.458 176.600 0.040 0.000 1.077 593 E CA -1.087 55.373 56.400 0.100 0.000 0.755 593 E CB 1.423 31.188 29.700 0.109 0.000 1.576 593 E HN 0.113 nan 8.360 nan 0.000 0.379 594 P HA -0.015 nan 4.420 nan 0.000 0.242 594 P C -0.590 176.431 177.300 -0.464 0.000 1.197 594 P CA 0.399 63.309 63.100 -0.318 0.000 0.765 594 P CB -0.098 31.312 31.700 -0.483 0.000 0.936 595 Y N -1.119 119.242 120.300 0.102 0.000 2.549 595 Y HA 0.402 4.953 4.550 0.001 0.000 0.339 595 Y C 0.644 176.704 175.900 0.268 0.000 1.053 595 Y CA -1.364 56.800 58.100 0.106 0.000 1.105 595 Y CB 0.627 39.131 38.460 0.073 0.000 1.258 595 Y HN -0.214 nan 8.280 nan 0.000 0.478 596 Y N 0.742 121.192 120.300 0.250 0.000 2.316 596 Y HA 0.220 4.771 4.550 0.001 0.000 0.331 596 Y C 1.162 177.168 175.900 0.178 0.000 1.083 596 Y CA -1.045 57.165 58.100 0.184 0.000 1.206 596 Y CB 1.120 39.678 38.460 0.162 0.000 1.195 596 Y HN 0.692 nan 8.280 nan 0.000 0.497 597 T N -1.579 113.189 114.554 0.357 0.000 3.040 597 T HA 0.374 4.724 4.350 0.001 0.000 0.266 597 T C 0.567 175.488 174.700 0.369 0.000 1.005 597 T CA -0.034 62.273 62.100 0.345 0.000 0.906 597 T CB 0.070 69.114 68.868 0.293 0.000 1.082 597 T HN 0.649 nan 8.240 nan 0.000 0.531 598 G N 0.643 109.629 108.800 0.310 0.000 2.388 598 G HA2 0.558 4.519 3.960 0.001 0.000 0.330 598 G HA3 0.558 4.519 3.960 0.001 0.000 0.330 598 G C -0.975 174.051 174.900 0.209 0.000 1.142 598 G CA -0.535 44.716 45.100 0.252 0.000 0.908 598 G HN 0.206 nan 8.290 nan 0.000 0.473 599 T N 0.880 115.491 114.554 0.096 0.000 2.807 599 T HA 0.544 4.894 4.350 0.001 0.000 0.279 599 T C 1.129 175.733 174.700 -0.160 0.000 0.993 599 T CA 0.184 62.246 62.100 -0.064 0.000 0.970 599 T CB 1.913 70.657 68.868 -0.206 0.000 0.950 599 T HN 0.604 nan 8.240 nan 0.000 0.441 600 G N 1.596 110.193 108.800 -0.339 0.000 2.641 600 G HA2 0.333 4.293 3.960 0.001 0.000 0.211 600 G HA3 0.333 4.293 3.960 0.001 0.000 0.211 600 G C -0.420 173.933 174.900 -0.912 0.000 1.190 600 G CA 0.155 44.992 45.100 -0.437 0.000 0.842 600 G HN 0.542 nan 8.290 nan 0.000 0.585 601 F N 0.812 120.488 119.950 -0.456 0.000 2.562 601 F HA 0.480 5.008 4.527 0.001 0.000 0.319 601 F C -2.530 172.855 175.800 -0.691 0.000 1.154 601 F CA -3.153 54.513 58.000 -0.558 0.000 0.931 601 F CB 2.071 40.788 39.000 -0.472 0.000 1.198 601 F HN -0.151 nan 8.300 nan 0.000 0.444 602 P HA 0.130 nan 4.420 nan 0.000 0.261 602 P C 0.842 177.959 177.300 -0.305 0.000 1.173 602 P CA 1.413 64.129 63.100 -0.639 0.000 0.760 602 P CB 0.545 32.113 31.700 -0.219 0.000 0.783 603 G N 2.833 111.547 108.800 -0.143 0.000 2.196 603 G HA2 -0.288 3.672 3.960 0.001 0.000 0.268 603 G HA3 -0.288 3.672 3.960 0.001 0.000 0.268 603 G C 0.724 175.668 174.900 0.074 0.000 0.975 603 G CA 0.611 45.806 45.100 0.158 0.000 0.648 603 G HN 0.535 nan 8.290 nan 0.000 0.538 604 D N -2.054 118.232 120.400 -0.190 0.000 2.403 604 D HA 0.267 4.907 4.640 0.001 0.000 0.280 604 D C -0.183 176.124 176.300 0.012 0.000 1.091 604 D CA 0.203 54.122 54.000 -0.134 0.000 0.884 604 D CB 0.700 41.198 40.800 -0.503 0.000 1.427 604 D HN 0.261 nan 8.370 nan 0.000 0.504 605 F N 1.279 120.950 119.950 -0.466 0.000 2.607 605 F HA 0.373 4.900 4.527 0.001 0.000 0.322 605 F C -1.772 173.678 175.800 -0.584 0.000 1.176 605 F CA -0.817 57.026 58.000 -0.262 0.000 0.977 605 F CB 1.015 39.930 39.000 -0.142 0.000 1.242 605 F HN -0.312 nan 8.300 nan 0.000 0.465 606 Y N 5.333 125.439 120.300 -0.323 0.000 2.509 606 Y HA 0.789 5.339 4.550 0.001 0.000 0.341 606 Y C -0.758 174.912 175.900 -0.385 0.000 1.038 606 Y CA -1.023 56.963 58.100 -0.190 0.000 1.089 606 Y CB 1.929 40.466 38.460 0.130 0.000 1.241 606 Y HN 0.416 nan 8.280 nan 0.000 0.468 607 L N 0.967 122.078 121.223 -0.188 0.000 2.354 607 L HA 0.828 5.169 4.340 0.001 0.000 0.264 607 L C 0.032 176.459 176.870 -0.738 0.000 1.008 607 L CA -1.156 53.377 54.840 -0.513 0.000 0.819 607 L CB 2.355 44.249 42.059 -0.275 0.000 1.339 607 L HN 0.827 nan 8.230 nan 0.000 0.420 608 G N 0.355 108.558 108.800 -0.995 0.000 2.522 608 G HA2 0.487 4.448 3.960 0.001 0.000 0.318 608 G HA3 0.487 4.448 3.960 0.001 0.000 0.318 608 G C -1.434 173.249 174.900 -0.361 0.000 1.192 608 G CA -0.167 44.539 45.100 -0.657 0.000 0.988 608 G HN 0.329 nan 8.290 nan 0.000 0.480 609 Y N 2.761 122.849 120.300 -0.353 0.000 2.595 609 Y HA 0.178 4.729 4.550 0.001 0.000 0.347 609 Y C 2.090 177.869 175.900 -0.202 0.000 1.025 609 Y CA -0.293 57.546 58.100 -0.436 0.000 1.295 609 Y CB 1.056 38.719 38.460 -1.328 0.000 1.147 609 Y HN 0.570 nan 8.280 nan 0.000 0.515 610 T N 2.233 116.782 114.554 -0.008 0.000 2.721 610 T HA -0.225 4.126 4.350 0.001 0.000 0.268 610 T C 1.972 176.765 174.700 0.155 0.000 1.038 610 T CA 1.501 63.642 62.100 0.068 0.000 1.145 610 T CB -0.051 68.842 68.868 0.042 0.000 0.858 610 T HN 0.517 nan 8.240 nan 0.000 0.459 611 M N -0.498 119.237 119.600 0.225 0.000 2.388 611 M HA 0.090 4.570 4.480 0.001 0.000 0.265 611 M C 1.837 178.324 176.300 0.312 0.000 1.088 611 M CA 0.824 56.305 55.300 0.301 0.000 1.134 611 M CB -1.024 31.727 32.600 0.252 0.000 1.384 611 M HN 0.226 nan 8.290 nan 0.000 0.447 612 Y N 1.818 122.237 120.300 0.198 0.000 2.096 612 Y HA -0.291 4.259 4.550 0.001 0.000 0.278 612 Y C 2.563 178.524 175.900 0.102 0.000 1.192 612 Y CA 1.944 60.207 58.100 0.271 0.000 1.143 612 Y CB -1.268 37.428 38.460 0.393 0.000 0.963 612 Y HN 0.407 nan 8.280 nan 0.000 0.505 613 R N -0.590 119.979 120.500 0.115 0.000 2.193 613 R HA -0.161 4.179 4.340 0.001 0.000 0.229 613 R C 1.350 177.594 176.300 -0.093 0.000 1.110 613 R CA 1.905 57.953 56.100 -0.087 0.000 0.988 613 R CB -0.643 29.554 30.300 -0.172 0.000 0.871 613 R HN 0.421 nan 8.270 nan 0.000 0.458 614 H N 0.038 119.247 119.070 0.231 0.000 2.460 614 H HA 0.137 4.694 4.556 0.001 0.000 0.297 614 H C 2.384 177.772 175.328 0.100 0.000 1.023 614 H CA 1.016 57.238 56.048 0.290 0.000 1.321 614 H CB 0.011 29.984 29.762 0.350 0.000 1.455 614 H HN 0.039 nan 8.280 nan 0.000 0.539 615 V N 1.058 121.006 119.914 0.057 0.000 2.307 615 V HA -0.194 3.926 4.120 0.001 0.000 0.245 615 V C 2.268 178.167 176.094 -0.324 0.000 1.045 615 V CA 1.585 63.745 62.300 -0.232 0.000 1.024 615 V CB -0.858 30.685 31.823 -0.467 0.000 0.651 615 V HN 0.085 nan 8.190 nan 0.000 0.449 616 F N 0.208 120.067 119.950 -0.152 0.000 2.186 616 F HA 0.006 4.533 4.527 0.001 0.000 0.299 616 F C 0.065 175.709 175.800 -0.261 0.000 1.090 616 F CA 1.229 59.107 58.000 -0.203 0.000 1.307 616 F CB -2.081 36.755 39.000 -0.272 0.000 1.019 616 F HN 0.272 nan 8.300 nan 0.000 0.489 617 P HA -0.092 nan 4.420 nan 0.000 0.217 617 P C 1.636 178.799 177.300 -0.228 0.000 1.150 617 P CA 1.931 64.762 63.100 -0.448 0.000 0.832 617 P CB -0.141 30.845 31.700 -1.190 0.000 0.787 618 T N -0.129 114.368 114.554 -0.095 0.000 2.777 618 T HA -0.133 4.217 4.350 0.001 0.000 0.266 618 T C 1.679 176.361 174.700 -0.030 0.000 1.040 618 T CA 0.981 63.093 62.100 0.021 0.000 1.141 618 T CB -0.892 68.001 68.868 0.040 0.000 0.868 618 T HN 0.006 nan 8.240 nan 0.000 0.444 619 L N 1.360 122.537 121.223 -0.077 0.000 2.027 619 L HA 0.098 4.439 4.340 0.001 0.000 0.206 619 L C 2.614 179.479 176.870 -0.009 0.000 1.074 619 L CA 1.899 56.700 54.840 -0.065 0.000 0.745 619 L CB -0.938 41.068 42.059 -0.088 0.000 0.898 619 L HN 0.206 nan 8.230 nan 0.000 0.433 620 A N -0.405 122.414 122.820 -0.002 0.000 1.902 620 A HA -0.168 4.152 4.320 0.001 0.000 0.217 620 A C 2.252 179.834 177.584 -0.004 0.000 1.181 620 A CA 2.029 54.063 52.037 -0.005 0.000 0.623 620 A CB -0.964 18.005 19.000 -0.053 0.000 0.818 620 A HN 0.511 nan 8.150 nan 0.000 0.443 621 L N -0.834 120.380 121.223 -0.015 0.000 2.141 621 L HA -0.108 4.232 4.340 0.001 0.000 0.209 621 L C 2.780 179.659 176.870 0.015 0.000 1.094 621 L CA 0.992 55.836 54.840 0.007 0.000 0.763 621 L CB -0.817 41.279 42.059 0.062 0.000 0.908 621 L HN 0.512 nan 8.230 nan 0.000 0.437 622 G N -0.185 108.626 108.800 0.017 0.000 2.408 622 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 622 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 622 G C 1.763 176.669 174.900 0.009 0.000 1.150 622 G CA 0.223 45.331 45.100 0.012 0.000 0.776 622 G HN 0.287 nan 8.290 nan 0.000 0.542 623 R N -1.352 119.164 120.500 0.025 0.000 2.193 623 R HA 0.053 4.393 4.340 0.001 0.000 0.213 623 R C 2.123 178.454 176.300 0.052 0.000 1.055 623 R CA 0.552 56.673 56.100 0.036 0.000 0.995 623 R CB -0.262 30.066 30.300 0.048 0.000 0.893 623 R HN 0.481 nan 8.270 nan 0.000 0.459 624 Y N 1.746 121.981 120.300 -0.108 0.000 2.243 624 Y HA -0.097 4.454 4.550 0.001 0.000 0.293 624 Y C 2.145 177.930 175.900 -0.191 0.000 1.124 624 Y CA 1.240 59.250 58.100 -0.151 0.000 1.159 624 Y CB 0.018 38.346 38.460 -0.221 0.000 1.008 624 Y HN -0.221 nan 8.280 nan 0.000 0.527 625 K N -0.322 119.941 120.400 -0.228 0.000 2.280 625 K HA -0.176 4.144 4.320 0.001 0.000 0.202 625 K C 1.854 178.381 176.600 -0.122 0.000 1.047 625 K CA 1.287 57.432 56.287 -0.236 0.000 0.942 625 K CB 0.079 32.533 32.500 -0.075 0.000 0.739 625 K HN 0.348 nan 8.250 nan 0.000 0.457 626 Q N -0.544 119.206 119.800 -0.084 0.000 2.187 626 Q HA -0.014 4.326 4.340 0.001 0.000 0.199 626 Q C 1.776 177.736 176.000 -0.066 0.000 0.957 626 Q CA 1.106 56.882 55.803 -0.045 0.000 0.857 626 Q CB 0.064 28.794 28.738 -0.013 0.000 0.929 626 Q HN 0.340 nan 8.270 nan 0.000 0.453 627 A N -0.419 122.331 122.820 -0.116 0.000 2.239 627 A HA 0.031 4.351 4.320 0.001 0.000 0.209 627 A C 1.345 178.844 177.584 -0.141 0.000 1.171 627 A CA 0.744 52.711 52.037 -0.117 0.000 0.768 627 A CB -0.050 18.875 19.000 -0.124 0.000 0.790 627 A HN 0.231 nan 8.150 nan 0.000 0.478 628 I N -2.768 117.715 120.570 -0.145 0.000 3.493 628 I HA 0.512 4.683 4.170 0.001 0.000 0.262 628 I C 0.784 176.879 176.117 -0.037 0.000 1.085 628 I CA 1.388 62.629 61.300 -0.098 0.000 1.692 628 I CB 0.299 38.221 38.000 -0.130 0.000 1.712 628 I HN 0.239 nan 8.210 nan 0.000 0.412 629 E N 0.000 120.190 120.200 -0.017 0.000 2.725 629 E HA 0.000 4.351 4.350 0.001 0.000 0.291 629 E CA 0.000 nan 56.400 nan 0.000 0.976 629 E CB 0.000 nan 29.700 nan 0.000 0.812 629 E HN 0.000 nan 8.360 nan 0.000 0.440