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 1o6q_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 0.000 177.471 177.584 -0.188 0.000 1.274 10 A CA 0.000 51.898 52.037 -0.232 0.000 0.836 10 A CB 0.000 18.907 19.000 -0.156 0.000 0.831 11 Y N 0.619 120.989 120.300 0.118 0.000 2.333 11 Y HA 0.302 4.852 4.550 0.001 0.000 0.290 11 Y C 2.351 178.323 175.900 0.120 0.000 1.144 11 Y CA 1.132 59.315 58.100 0.138 0.000 1.228 11 Y CB -1.490 37.090 38.460 0.201 0.000 0.985 11 Y HN 0.491 nan 8.280 nan 0.000 0.542 12 A N 1.584 124.441 122.820 0.062 0.000 1.940 12 A HA -0.322 3.999 4.320 0.001 0.000 0.221 12 A C 2.361 180.030 177.584 0.141 0.000 1.190 12 A CA 2.421 54.567 52.037 0.182 0.000 0.647 12 A CB -0.800 18.194 19.000 -0.011 0.000 0.821 12 A HN 0.584 nan 8.150 nan 0.000 0.457 13 R N -1.399 119.145 120.500 0.074 0.000 2.092 13 R HA -0.061 4.279 4.340 0.001 0.000 0.231 13 R C 2.321 178.670 176.300 0.081 0.000 1.119 13 R CA 1.632 57.766 56.100 0.056 0.000 0.970 13 R CB -0.682 29.628 30.300 0.018 0.000 0.864 13 R HN 0.571 nan 8.270 nan 0.000 0.440 14 T N 1.732 116.363 114.554 0.128 0.000 2.684 14 T HA -0.164 4.186 4.350 0.001 0.000 0.267 14 T C 1.837 176.647 174.700 0.184 0.000 1.036 14 T CA 1.102 63.288 62.100 0.144 0.000 1.148 14 T CB -0.175 68.848 68.868 0.257 0.000 0.863 14 T HN 0.131 nan 8.240 nan 0.000 0.436 15 L N 0.822 122.184 121.223 0.231 0.000 1.976 15 L HA -0.140 4.201 4.340 0.001 0.000 0.209 15 L C 2.597 179.554 176.870 0.146 0.000 1.071 15 L CA 1.529 56.494 54.840 0.208 0.000 0.746 15 L CB -0.523 41.665 42.059 0.215 0.000 0.890 15 L HN 0.220 nan 8.230 nan 0.000 0.432 16 D N -0.342 120.129 120.400 0.118 0.000 2.158 16 D HA -0.213 4.428 4.640 0.001 0.000 0.197 16 D C 2.272 178.616 176.300 0.073 0.000 0.995 16 D CA 1.272 55.324 54.000 0.085 0.000 0.846 16 D CB -0.082 40.757 40.800 0.066 0.000 0.941 16 D HN 0.322 nan 8.370 nan 0.000 0.456 17 R N 0.302 120.838 120.500 0.059 0.000 2.090 17 R HA 0.058 4.399 4.340 0.001 0.000 0.228 17 R C 2.291 178.626 176.300 0.057 0.000 1.110 17 R CA 0.922 57.037 56.100 0.026 0.000 0.973 17 R CB -0.067 30.209 30.300 -0.041 0.000 0.869 17 R HN 0.069 nan 8.270 nan 0.000 0.440 18 A N 0.615 123.499 122.820 0.107 0.000 1.897 18 A HA -0.068 4.253 4.320 0.001 0.000 0.215 18 A C 2.273 179.977 177.584 0.201 0.000 1.181 18 A CA 0.987 53.153 52.037 0.215 0.000 0.620 18 A CB -0.425 18.808 19.000 0.387 0.000 0.821 18 A HN 0.068 nan 8.150 nan 0.000 0.443 19 V N 1.403 121.398 119.914 0.135 0.000 2.214 19 V HA -0.352 3.768 4.120 0.001 0.000 0.245 19 V C 2.613 178.754 176.094 0.079 0.000 1.047 19 V CA 2.523 64.873 62.300 0.082 0.000 0.998 19 V CB -1.202 30.659 31.823 0.063 0.000 0.633 19 V HN 0.915 nan 8.190 nan 0.000 0.446 20 E N -0.362 119.888 120.200 0.083 0.000 2.171 20 E HA -0.339 4.012 4.350 0.001 0.000 0.197 20 E C 2.161 178.811 176.600 0.083 0.000 0.997 20 E CA 2.208 58.651 56.400 0.071 0.000 0.810 20 E CB -0.644 29.095 29.700 0.065 0.000 0.738 20 E HN 0.711 nan 8.360 nan 0.000 0.467 21 Y N 1.521 121.816 120.300 -0.009 0.000 2.163 21 Y HA -0.082 4.468 4.550 0.001 0.000 0.288 21 Y C 2.050 177.948 175.900 -0.004 0.000 1.136 21 Y CA 1.296 59.373 58.100 -0.038 0.000 1.147 21 Y CB -0.279 38.128 38.460 -0.087 0.000 0.987 21 Y HN -0.014 nan 8.280 nan 0.000 0.509 22 L N -0.477 120.711 121.223 -0.058 0.000 1.989 22 L HA -0.301 4.040 4.340 0.001 0.000 0.211 22 L C 2.502 179.456 176.870 0.139 0.000 1.071 22 L CA 1.728 56.537 54.840 -0.051 0.000 0.749 22 L CB -0.772 41.256 42.059 -0.051 0.000 0.890 22 L HN 0.282 nan 8.230 nan 0.000 0.431 23 L N -0.446 120.844 121.223 0.112 0.000 2.189 23 L HA -0.241 4.099 4.340 0.001 0.000 0.214 23 L C 2.746 179.587 176.870 -0.047 0.000 1.097 23 L CA 1.547 56.447 54.840 0.100 0.000 0.764 23 L CB -0.555 41.524 42.059 0.034 0.000 0.900 23 L HN 0.437 nan 8.230 nan 0.000 0.436 24 S N -2.283 113.353 115.700 -0.106 0.000 2.461 24 S HA -0.124 4.347 4.470 0.001 0.000 0.228 24 S C 1.874 176.336 174.600 -0.229 0.000 1.005 24 S CA 0.628 58.732 58.200 -0.161 0.000 0.942 24 S CB -0.626 62.488 63.200 -0.144 0.000 0.776 24 S HN 0.430 nan 8.310 nan 0.000 0.514 25 C N 1.413 120.564 119.300 -0.247 0.000 2.514 25 C HA 0.266 4.726 4.460 0.001 0.000 0.271 25 C C 1.400 176.200 174.990 -0.317 0.000 1.399 25 C CA -0.441 58.446 59.018 -0.219 0.000 1.765 25 C CB -1.439 26.214 27.740 -0.145 0.000 1.893 25 C HN 0.733 nan 8.230 nan 0.000 0.531 26 Q N 1.776 121.251 119.800 -0.542 0.000 2.300 26 Q HA 0.094 4.435 4.340 0.001 0.000 0.280 26 Q C -0.107 175.421 176.000 -0.786 0.000 1.033 26 Q CA 0.492 55.585 55.803 -1.184 0.000 0.903 26 Q CB 0.585 28.500 28.738 -1.370 0.000 1.195 26 Q HN 0.307 nan 8.270 nan 0.000 0.386 27 K N 2.722 122.583 120.400 -0.900 0.000 2.132 27 K HA 0.027 4.348 4.320 0.001 0.000 0.240 27 K C 0.263 176.486 176.600 -0.629 0.000 1.036 27 K CA 0.157 56.006 56.287 -0.729 0.000 0.888 27 K CB 0.419 32.310 32.500 -1.015 0.000 1.071 27 K HN 0.625 nan 8.250 nan 0.000 0.502 28 D N 0.684 120.826 120.400 -0.430 0.000 2.084 28 D HA -0.130 4.511 4.640 0.001 0.000 0.194 28 D C 1.164 177.293 176.300 -0.285 0.000 0.990 28 D CA 1.317 55.140 54.000 -0.295 0.000 0.826 28 D CB -0.040 40.651 40.800 -0.182 0.000 0.971 28 D HN 0.497 nan 8.370 nan 0.000 0.453 29 E N -0.432 119.608 120.200 -0.267 0.000 2.339 29 E HA -0.004 4.347 4.350 0.001 0.000 0.201 29 E C 1.538 178.009 176.600 -0.215 0.000 1.015 29 E CA 1.282 57.613 56.400 -0.116 0.000 0.841 29 E CB -0.336 29.433 29.700 0.116 0.000 0.754 29 E HN 0.415 nan 8.360 nan 0.000 0.508 30 G N -1.354 107.154 108.800 -0.487 0.000 2.184 30 G HA2 -0.238 3.723 3.960 0.001 0.000 0.206 30 G HA3 -0.238 3.723 3.960 0.001 0.000 0.206 30 G C -0.083 174.403 174.900 -0.690 0.000 0.995 30 G CA -0.047 44.761 45.100 -0.486 0.000 0.651 30 G HN 0.331 nan 8.290 nan 0.000 0.511 31 Y N -1.355 118.387 120.300 -0.929 0.000 2.631 31 Y HA 0.874 5.424 4.550 0.001 0.000 0.328 31 Y C -0.017 175.475 175.900 -0.680 0.000 1.118 31 Y CA -2.752 54.801 58.100 -0.912 0.000 1.206 31 Y CB 1.052 38.544 38.460 -1.612 0.000 1.337 31 Y HN 0.063 nan 8.280 nan 0.000 0.515 32 W N 1.221 122.463 121.300 -0.096 0.000 2.627 32 W HA 0.317 4.978 4.660 0.001 0.000 0.339 32 W C -1.764 174.913 176.519 0.265 0.000 1.058 32 W CA -0.888 56.446 57.345 -0.019 0.000 1.223 32 W CB 2.040 31.465 29.460 -0.059 0.000 1.389 32 W HN 0.753 nan 8.180 nan 0.000 0.541 33 W N 3.084 124.505 121.300 0.201 0.000 2.680 33 W HA 0.469 5.130 4.660 0.001 0.000 0.305 33 W C -0.781 175.775 176.519 0.062 0.000 1.033 33 W CA -1.357 56.066 57.345 0.131 0.000 1.242 33 W CB 0.534 30.128 29.460 0.223 0.000 1.138 33 W HN 0.367 nan 8.180 nan 0.000 0.358 34 G N 4.743 113.650 108.800 0.179 0.000 2.400 34 G HA2 0.632 4.593 3.960 0.001 0.000 0.301 34 G HA3 0.632 4.593 3.960 0.001 0.000 0.301 34 G C -2.743 172.038 174.900 -0.199 0.000 1.154 34 G CA -1.296 43.789 45.100 -0.026 0.000 0.852 34 G HN 0.131 nan 8.290 nan 0.000 0.511 35 P HA 0.234 nan 4.420 nan 0.000 0.272 35 P C -0.664 176.500 177.300 -0.227 0.000 1.240 35 P CA -0.522 62.377 63.100 -0.335 0.000 0.791 35 P CB 0.864 32.372 31.700 -0.321 0.000 0.978 36 L N 2.199 123.288 121.223 -0.224 0.000 2.319 36 L HA 0.364 4.705 4.340 0.001 0.000 0.281 36 L C -1.327 175.397 176.870 -0.244 0.000 1.005 36 L CA -0.506 54.171 54.840 -0.271 0.000 0.828 36 L CB 0.508 42.442 42.059 -0.207 0.000 1.227 36 L HN 0.075 nan 8.230 nan 0.000 0.415 37 L N 4.015 125.046 121.223 -0.320 0.000 2.334 37 L HA 0.687 5.028 4.340 0.001 0.000 0.277 37 L C 0.796 177.450 176.870 -0.360 0.000 1.075 37 L CA 0.194 54.884 54.840 -0.249 0.000 0.804 37 L CB 1.071 43.022 42.059 -0.181 0.000 1.174 37 L HN 0.900 nan 8.230 nan 0.000 0.438 38 S N 1.708 117.358 115.700 -0.084 0.000 3.896 38 S HA 0.583 5.054 4.470 0.001 0.000 0.190 38 S C -0.287 174.419 174.600 0.176 0.000 1.171 38 S CA -0.237 57.898 58.200 -0.109 0.000 1.368 38 S CB 1.137 64.254 63.200 -0.139 0.000 1.688 38 S HN 0.648 nan 8.310 nan 0.000 0.791 39 N N -0.361 118.439 118.700 0.166 0.000 2.853 39 N HA 0.435 5.175 4.740 0.001 0.000 0.258 39 N C 0.393 176.025 175.510 0.203 0.000 1.444 39 N CA -0.376 52.800 53.050 0.211 0.000 0.837 39 N CB 1.174 39.782 38.487 0.202 0.000 1.489 39 N HN 0.751 nan 8.380 nan 0.000 0.529 40 V N -3.184 116.805 119.914 0.125 0.000 3.241 40 V HA -0.096 4.025 4.120 0.001 0.000 0.269 40 V C 1.693 177.774 176.094 -0.022 0.000 1.151 40 V CA 1.711 64.047 62.300 0.060 0.000 1.158 40 V CB -1.997 29.681 31.823 -0.242 0.000 0.764 40 V HN 0.905 nan 8.190 nan 0.000 0.508 41 T N -2.918 111.626 114.554 -0.017 0.000 2.929 41 T HA -0.131 4.220 4.350 0.001 0.000 0.271 41 T C 1.777 176.375 174.700 -0.171 0.000 1.085 41 T CA 1.505 63.537 62.100 -0.113 0.000 1.125 41 T CB -0.366 68.458 68.868 -0.074 0.000 0.874 41 T HN 0.351 nan 8.240 nan 0.000 0.494 42 M N 1.568 121.131 119.600 -0.062 0.000 2.062 42 M HA 0.029 4.510 4.480 0.001 0.000 0.259 42 M C 2.293 178.540 176.300 -0.089 0.000 1.076 42 M CA 1.754 56.980 55.300 -0.123 0.000 1.122 42 M CB -1.234 31.398 32.600 0.053 0.000 1.312 42 M HN 0.277 nan 8.290 nan 0.000 0.412 43 E N 0.784 121.016 120.200 0.052 0.000 2.150 43 E HA -0.034 4.317 4.350 0.001 0.000 0.193 43 E C 2.093 178.753 176.600 0.100 0.000 0.985 43 E CA 1.437 57.926 56.400 0.149 0.000 0.814 43 E CB -0.521 29.319 29.700 0.233 0.000 0.752 43 E HN 0.519 nan 8.360 nan 0.000 0.466 44 A N 0.892 123.688 122.820 -0.040 0.000 1.898 44 A HA -0.219 4.102 4.320 0.001 0.000 0.216 44 A C 2.017 179.439 177.584 -0.271 0.000 1.181 44 A CA 1.601 53.550 52.037 -0.146 0.000 0.620 44 A CB -0.442 18.420 19.000 -0.230 0.000 0.819 44 A HN 0.187 nan 8.150 nan 0.000 0.442 45 E N -1.814 118.130 120.200 -0.427 0.000 2.150 45 E HA -0.170 4.181 4.350 0.001 0.000 0.193 45 E C 1.749 178.139 176.600 -0.350 0.000 0.985 45 E CA 1.182 57.094 56.400 -0.814 0.000 0.814 45 E CB -0.269 28.821 29.700 -1.017 0.000 0.752 45 E HN 0.766 nan 8.360 nan 0.000 0.466 46 Y N 0.784 121.017 120.300 -0.111 0.000 2.114 46 Y HA -0.280 4.270 4.550 0.001 0.000 0.284 46 Y C 2.049 177.897 175.900 -0.087 0.000 1.143 46 Y CA 1.370 59.471 58.100 0.002 0.000 1.135 46 Y CB -0.457 38.031 38.460 0.048 0.000 0.980 46 Y HN -0.169 nan 8.280 nan 0.000 0.499 47 V N 0.772 120.778 119.914 0.153 0.000 2.252 47 V HA -0.382 3.739 4.120 0.001 0.000 0.249 47 V C 2.562 178.550 176.094 -0.178 0.000 1.056 47 V CA 2.284 64.604 62.300 0.034 0.000 1.022 47 V CB -0.955 30.876 31.823 0.012 0.000 0.641 47 V HN 0.488 nan 8.190 nan 0.000 0.445 48 L N -0.953 120.138 121.223 -0.221 0.000 2.046 48 L HA -0.197 4.144 4.340 0.001 0.000 0.208 48 L C 2.472 179.352 176.870 0.016 0.000 1.077 48 L CA 1.315 56.067 54.840 -0.147 0.000 0.747 48 L CB -0.579 41.404 42.059 -0.127 0.000 0.896 48 L HN 0.372 nan 8.230 nan 0.000 0.432 49 L N -0.390 120.813 121.223 -0.033 0.000 2.012 49 L HA -0.239 4.102 4.340 0.001 0.000 0.210 49 L C 2.557 179.301 176.870 -0.210 0.000 1.073 49 L CA 1.822 56.626 54.840 -0.060 0.000 0.748 49 L CB -0.825 41.040 42.059 -0.323 0.000 0.891 49 L HN 0.236 nan 8.230 nan 0.000 0.431 50 C N -0.557 118.571 119.300 -0.287 0.000 2.413 50 C HA -0.201 4.260 4.460 0.001 0.000 0.277 50 C C 2.731 177.649 174.990 -0.120 0.000 1.265 50 C CA 1.119 60.019 59.018 -0.197 0.000 1.752 50 C CB -1.435 26.226 27.740 -0.133 0.000 1.998 50 C HN 0.825 nan 8.230 nan 0.000 0.489 51 H N 0.742 119.703 119.070 -0.183 0.000 2.357 51 H HA -0.059 4.498 4.556 0.001 0.000 0.301 51 H C 1.978 177.226 175.328 -0.133 0.000 1.082 51 H CA 1.739 57.711 56.048 -0.127 0.000 1.342 51 H CB -0.246 29.341 29.762 -0.291 0.000 1.389 51 H HN 0.259 nan 8.280 nan 0.000 0.511 52 I N 0.578 120.922 120.570 -0.376 0.000 2.179 52 I HA -0.226 3.945 4.170 0.001 0.000 0.242 52 I C 2.055 177.782 176.117 -0.649 0.000 1.088 52 I CA 1.187 62.091 61.300 -0.659 0.000 1.357 52 I CB -0.961 36.721 38.000 -0.530 0.000 1.051 52 I HN 0.363 nan 8.210 nan 0.000 0.409 53 L N 0.187 121.161 121.223 -0.416 0.000 2.599 53 L HA -0.030 4.311 4.340 0.001 0.000 0.230 53 L C 0.391 177.078 176.870 -0.305 0.000 1.141 53 L CA 0.186 54.820 54.840 -0.342 0.000 0.877 53 L CB -0.629 41.225 42.059 -0.341 0.000 1.009 53 L HN 0.260 nan 8.230 nan 0.000 0.447 54 D N 1.668 121.900 120.400 -0.280 0.000 2.708 54 D HA -0.226 4.415 4.640 0.001 0.000 0.236 54 D C 0.190 176.404 176.300 -0.143 0.000 1.146 54 D CA 0.690 54.585 54.000 -0.175 0.000 0.662 54 D CB -0.361 40.353 40.800 -0.143 0.000 1.059 54 D HN 0.355 nan 8.370 nan 0.000 0.428 55 R N -0.044 120.364 120.500 -0.152 0.000 2.681 55 R HA 0.354 4.694 4.340 0.001 0.000 0.277 55 R C -0.812 175.506 176.300 0.030 0.000 1.563 55 R CA -0.663 55.368 56.100 -0.114 0.000 1.673 55 R CB 1.303 31.398 30.300 -0.342 0.000 1.258 55 R HN -0.033 nan 8.270 nan 0.000 0.650 56 V N 1.267 121.221 119.914 0.066 0.000 2.383 56 V HA 0.135 4.255 4.120 0.001 0.000 0.275 56 V C -0.072 176.083 176.094 0.103 0.000 1.036 56 V CA -0.615 61.757 62.300 0.121 0.000 0.889 56 V CB 1.658 33.592 31.823 0.184 0.000 0.985 56 V HN 0.357 nan 8.190 nan 0.000 0.459 57 D N 4.409 124.870 120.400 0.102 0.000 2.412 57 D HA 0.284 4.925 4.640 0.001 0.000 0.224 57 D C 1.255 177.580 176.300 0.042 0.000 1.093 57 D CA -0.537 53.501 54.000 0.063 0.000 0.850 57 D CB 0.948 41.775 40.800 0.045 0.000 1.046 57 D HN 0.215 nan 8.370 nan 0.000 0.507 58 R N 2.596 123.120 120.500 0.039 0.000 2.119 58 R HA -0.172 4.169 4.340 0.001 0.000 0.246 58 R C 1.239 177.548 176.300 0.016 0.000 1.146 58 R CA 1.174 57.292 56.100 0.030 0.000 0.962 58 R CB -0.369 29.944 30.300 0.023 0.000 0.863 58 R HN 0.669 nan 8.270 nan 0.000 0.442 59 D N 0.056 120.457 120.400 0.001 0.000 2.144 59 D HA -0.163 4.478 4.640 0.001 0.000 0.200 59 D C 1.890 178.162 176.300 -0.047 0.000 0.978 59 D CA 0.822 54.813 54.000 -0.014 0.000 0.833 59 D CB 0.183 40.973 40.800 -0.017 0.000 0.961 59 D HN -0.016 nan 8.370 nan 0.000 0.470 60 R N 0.160 120.606 120.500 -0.090 0.000 2.075 60 R HA -0.056 4.285 4.340 0.001 0.000 0.232 60 R C 2.378 178.606 176.300 -0.120 0.000 1.126 60 R CA 1.099 57.072 56.100 -0.213 0.000 0.963 60 R CB -0.619 29.501 30.300 -0.300 0.000 0.858 60 R HN 0.123 nan 8.270 nan 0.000 0.435 61 M N 0.889 120.479 119.600 -0.016 0.000 2.082 61 M HA -0.174 4.306 4.480 0.001 0.000 0.258 61 M C 1.873 178.211 176.300 0.064 0.000 1.069 61 M CA 1.664 56.997 55.300 0.055 0.000 1.102 61 M CB -1.085 31.569 32.600 0.091 0.000 1.336 61 M HN 0.132 nan 8.290 nan 0.000 0.404 62 E N 0.878 121.106 120.200 0.047 0.000 2.048 62 E HA -0.201 4.149 4.350 0.001 0.000 0.202 62 E C 2.004 178.662 176.600 0.096 0.000 1.021 62 E CA 1.519 57.957 56.400 0.065 0.000 0.825 62 E CB -0.420 29.307 29.700 0.045 0.000 0.756 62 E HN 0.529 nan 8.360 nan 0.000 0.454 63 K N 0.172 120.615 120.400 0.073 0.000 2.103 63 K HA -0.093 4.228 4.320 0.001 0.000 0.207 63 K C 2.318 179.046 176.600 0.213 0.000 1.048 63 K CA 1.042 57.403 56.287 0.122 0.000 0.930 63 K CB -0.189 32.359 32.500 0.081 0.000 0.716 63 K HN 0.163 nan 8.250 nan 0.000 0.444 64 I N 0.362 121.044 120.570 0.188 0.000 2.439 64 I HA -0.224 3.947 4.170 0.001 0.000 0.251 64 I C 2.628 178.923 176.117 0.297 0.000 1.139 64 I CA 0.824 62.293 61.300 0.281 0.000 1.438 64 I CB -0.163 37.964 38.000 0.212 0.000 1.085 64 I HN 0.165 nan 8.210 nan 0.000 0.427 65 R N 1.187 121.815 120.500 0.213 0.000 2.066 65 R HA -0.138 4.202 4.340 0.001 0.000 0.232 65 R C 2.505 178.944 176.300 0.232 0.000 1.131 65 R CA 1.310 57.525 56.100 0.192 0.000 0.955 65 R CB -0.038 30.344 30.300 0.136 0.000 0.851 65 R HN 0.261 nan 8.270 nan 0.000 0.432 66 R N -0.747 119.907 120.500 0.256 0.000 2.080 66 R HA -0.232 4.108 4.340 0.001 0.000 0.236 66 R C 2.293 178.842 176.300 0.414 0.000 1.137 66 R CA 1.976 58.259 56.100 0.305 0.000 0.943 66 R CB -0.877 29.634 30.300 0.351 0.000 0.846 66 R HN 0.314 nan 8.270 nan 0.000 0.431 67 Y N 2.032 122.551 120.300 0.366 0.000 2.030 67 Y HA -0.268 4.282 4.550 0.001 0.000 0.274 67 Y C 2.125 178.238 175.900 0.355 0.000 1.153 67 Y CA 1.615 59.952 58.100 0.396 0.000 1.115 67 Y CB -0.663 37.957 38.460 0.267 0.000 0.969 67 Y HN -0.058 nan 8.280 nan 0.000 0.488 68 L N -0.763 120.555 121.223 0.157 0.000 1.978 68 L HA -0.328 4.013 4.340 0.001 0.000 0.218 68 L C 2.530 179.595 176.870 0.326 0.000 1.075 68 L CA 1.369 56.267 54.840 0.097 0.000 0.767 68 L CB -0.976 41.161 42.059 0.130 0.000 0.890 68 L HN 0.317 nan 8.230 nan 0.000 0.434 69 L N -0.412 120.971 121.223 0.267 0.000 1.971 69 L HA -0.306 4.034 4.340 0.001 0.000 0.215 69 L C 2.591 179.490 176.870 0.049 0.000 1.072 69 L CA 2.265 57.212 54.840 0.179 0.000 0.758 69 L CB -1.596 40.535 42.059 0.120 0.000 0.889 69 L HN 0.405 nan 8.230 nan 0.000 0.433 70 H N -0.212 118.829 119.070 -0.048 0.000 2.394 70 H HA -0.186 4.370 4.556 0.001 0.000 0.297 70 H C 1.866 177.093 175.328 -0.168 0.000 1.113 70 H CA 1.976 57.915 56.048 -0.182 0.000 1.277 70 H CB 0.329 29.893 29.762 -0.331 0.000 1.370 70 H HN 0.309 nan 8.280 nan 0.000 0.506 71 E N 0.359 120.545 120.200 -0.024 0.000 2.442 71 E HA -0.056 4.295 4.350 0.001 0.000 0.195 71 E C 0.487 176.975 176.600 -0.188 0.000 1.030 71 E CA 0.099 56.478 56.400 -0.035 0.000 0.869 71 E CB 0.028 29.718 29.700 -0.017 0.000 0.857 71 E HN 0.658 nan 8.360 nan 0.000 0.505 72 Q N 1.231 120.790 119.800 -0.401 0.000 2.373 72 Q HA 0.114 4.455 4.340 0.001 0.000 0.255 72 Q C -0.420 175.188 176.000 -0.653 0.000 0.980 72 Q CA -0.048 55.105 55.803 -1.082 0.000 0.882 72 Q CB 0.652 28.743 28.738 -1.079 0.000 1.249 72 Q HN -0.145 nan 8.270 nan 0.000 0.438 73 R N 1.503 121.619 120.500 -0.641 0.000 2.608 73 R HA 0.137 4.478 4.340 0.001 0.000 0.255 73 R C 1.164 177.255 176.300 -0.349 0.000 1.086 73 R CA -0.533 55.319 56.100 -0.414 0.000 1.125 73 R CB 0.366 30.458 30.300 -0.347 0.000 1.193 73 R HN 0.690 nan 8.270 nan 0.000 0.553 74 E N 1.111 121.157 120.200 -0.256 0.000 2.108 74 E HA -0.274 4.077 4.350 0.001 0.000 0.203 74 E C 0.943 177.428 176.600 -0.192 0.000 1.022 74 E CA 2.399 58.681 56.400 -0.198 0.000 0.823 74 E CB -0.118 29.491 29.700 -0.153 0.000 0.744 74 E HN 0.669 nan 8.360 nan 0.000 0.456 75 D N -1.345 118.928 120.400 -0.211 0.000 2.371 75 D HA 0.002 4.643 4.640 0.001 0.000 0.221 75 D C 1.192 177.364 176.300 -0.214 0.000 0.986 75 D CA 0.936 54.822 54.000 -0.190 0.000 0.899 75 D CB -0.115 40.561 40.800 -0.205 0.000 0.902 75 D HN 0.265 nan 8.370 nan 0.000 0.530 76 G N -0.300 108.317 108.800 -0.305 0.000 2.132 76 G HA2 -0.209 3.751 3.960 0.001 0.000 0.228 76 G HA3 -0.209 3.751 3.960 0.001 0.000 0.228 76 G C 0.324 174.937 174.900 -0.479 0.000 1.000 76 G CA 0.436 45.324 45.100 -0.353 0.000 0.693 76 G HN 0.837 nan 8.290 nan 0.000 0.515 77 T N -3.150 111.065 114.554 -0.565 0.000 2.910 77 T HA 0.774 5.125 4.350 0.001 0.000 0.287 77 T C -0.422 173.953 174.700 -0.542 0.000 1.050 77 T CA -0.996 60.827 62.100 -0.461 0.000 1.011 77 T CB 2.347 70.888 68.868 -0.545 0.000 1.195 77 T HN 0.516 nan 8.240 nan 0.000 0.540 78 W N 0.008 121.228 121.300 -0.134 0.000 2.819 78 W HA 0.688 5.349 4.660 0.001 0.000 0.337 78 W C -0.126 176.325 176.519 -0.114 0.000 1.077 78 W CA -1.186 56.093 57.345 -0.110 0.000 1.226 78 W CB 2.385 31.814 29.460 -0.051 0.000 1.419 78 W HN 1.084 nan 8.180 nan 0.000 0.502 79 A N 1.814 124.674 122.820 0.066 0.000 2.347 79 A HA 0.663 4.984 4.320 0.001 0.000 0.301 79 A C 0.544 178.140 177.584 0.020 0.000 1.163 79 A CA -0.559 51.450 52.037 -0.047 0.000 0.860 79 A CB 1.176 20.011 19.000 -0.275 0.000 1.367 79 A HN 0.705 nan 8.150 nan 0.000 0.461 80 L N -1.021 120.224 121.223 0.037 0.000 2.049 80 L HA 0.048 4.389 4.340 0.001 0.000 0.203 80 L C 0.504 177.502 176.870 0.214 0.000 1.074 80 L CA 1.083 56.071 54.840 0.248 0.000 0.749 80 L CB -0.635 41.736 42.059 0.520 0.000 0.907 80 L HN 0.795 nan 8.230 nan 0.000 0.439 81 Y N -1.406 118.851 120.300 -0.071 0.000 2.528 81 Y HA 0.605 5.155 4.550 0.001 0.000 0.335 81 Y C -2.605 173.057 175.900 -0.396 0.000 1.093 81 Y CA -4.501 53.354 58.100 -0.409 0.000 1.134 81 Y CB -0.986 37.258 38.460 -0.361 0.000 1.253 81 Y HN -0.183 nan 8.280 nan 0.000 0.478 82 P HA 0.168 nan 4.420 nan 0.000 0.267 82 P C 0.539 177.755 177.300 -0.140 0.000 1.209 82 P CA 1.146 64.068 63.100 -0.297 0.000 0.763 82 P CB 0.933 32.455 31.700 -0.297 0.000 0.816 83 G N 2.011 110.703 108.800 -0.181 0.000 2.149 83 G HA2 -0.102 3.858 3.960 0.001 0.000 0.235 83 G HA3 -0.102 3.858 3.960 0.001 0.000 0.235 83 G C 0.354 175.114 174.900 -0.234 0.000 1.018 83 G CA -0.258 44.778 45.100 -0.108 0.000 0.728 83 G HN 0.902 nan 8.290 nan 0.000 0.508 84 G N -0.402 108.070 108.800 -0.546 0.000 2.509 84 G HA2 0.841 4.801 3.960 0.001 0.000 0.328 84 G HA3 0.841 4.801 3.960 0.001 0.000 0.328 84 G C -1.933 172.689 174.900 -0.464 0.000 1.194 84 G CA -0.928 43.647 45.100 -0.876 0.000 0.967 84 G HN 0.234 nan 8.290 nan 0.000 0.488 85 P HA 0.176 nan 4.420 nan 0.000 0.269 85 P C -2.515 174.687 177.300 -0.164 0.000 1.209 85 P CA -0.845 62.166 63.100 -0.149 0.000 0.776 85 P CB 0.481 32.170 31.700 -0.018 0.000 0.876 86 P HA 0.017 nan 4.420 nan 0.000 0.268 86 P C -0.392 176.893 177.300 -0.025 0.000 1.204 86 P CA 0.482 63.405 63.100 -0.295 0.000 0.768 86 P CB 0.747 31.947 31.700 -0.834 0.000 0.842 87 D N 2.620 123.072 120.400 0.087 0.000 2.193 87 D HA 0.080 4.721 4.640 0.001 0.000 0.244 87 D C 0.918 177.443 176.300 0.376 0.000 1.064 87 D CA -0.596 53.547 54.000 0.239 0.000 0.845 87 D CB 1.699 42.630 40.800 0.218 0.000 1.148 87 D HN 0.068 nan 8.370 nan 0.000 0.464 88 L N 4.656 126.104 121.223 0.375 0.000 1.973 88 L HA -0.121 4.219 4.340 0.001 0.000 0.208 88 L C 1.636 178.618 176.870 0.188 0.000 1.073 88 L CA 1.807 56.822 54.840 0.293 0.000 0.746 88 L CB -0.535 41.586 42.059 0.103 0.000 0.891 88 L HN 0.467 nan 8.230 nan 0.000 0.433 89 D N -0.930 119.553 120.400 0.137 0.000 2.133 89 D HA -0.222 4.419 4.640 0.001 0.000 0.192 89 D C 1.937 178.275 176.300 0.065 0.000 1.001 89 D CA 2.226 56.270 54.000 0.074 0.000 0.844 89 D CB -0.531 40.313 40.800 0.073 0.000 0.944 89 D HN 0.429 nan 8.370 nan 0.000 0.447 90 T N 0.667 115.293 114.554 0.119 0.000 2.708 90 T HA -0.112 4.238 4.350 0.001 0.000 0.266 90 T C 2.109 176.823 174.700 0.024 0.000 1.037 90 T CA 1.818 63.961 62.100 0.072 0.000 1.146 90 T CB -0.534 68.424 68.868 0.150 0.000 0.865 90 T HN 0.178 nan 8.240 nan 0.000 0.435 91 T N 2.030 116.706 114.554 0.203 0.000 2.821 91 T HA 0.104 4.454 4.350 0.001 0.000 0.267 91 T C 2.002 176.809 174.700 0.178 0.000 1.046 91 T CA 0.676 62.975 62.100 0.332 0.000 1.139 91 T CB -0.347 68.869 68.868 0.580 0.000 0.871 91 T HN 0.314 nan 8.240 nan 0.000 0.454 92 I N 1.047 121.684 120.570 0.111 0.000 2.142 92 I HA -0.174 3.997 4.170 0.001 0.000 0.240 92 I C 2.689 178.826 176.117 0.033 0.000 1.078 92 I CA 1.492 62.823 61.300 0.052 0.000 1.343 92 I CB -0.383 37.605 38.000 -0.019 0.000 1.046 92 I HN 0.303 nan 8.210 nan 0.000 0.405 93 E N 0.837 121.007 120.200 -0.051 0.000 2.085 93 E HA -0.237 4.114 4.350 0.001 0.000 0.194 93 E C 2.301 178.789 176.600 -0.187 0.000 0.994 93 E CA 1.371 57.696 56.400 -0.125 0.000 0.801 93 E CB -0.185 29.405 29.700 -0.183 0.000 0.743 93 E HN 0.523 nan 8.360 nan 0.000 0.453 94 A N 0.655 123.276 122.820 -0.331 0.000 1.930 94 A HA -0.212 4.109 4.320 0.001 0.000 0.217 94 A C 1.994 179.395 177.584 -0.304 0.000 1.175 94 A CA 1.303 52.989 52.037 -0.584 0.000 0.627 94 A CB -0.754 17.288 19.000 -1.596 0.000 0.815 94 A HN 0.399 nan 8.150 nan 0.000 0.443 95 Y N 0.957 121.134 120.300 -0.206 0.000 2.070 95 Y HA -0.255 4.296 4.550 0.001 0.000 0.280 95 Y C 2.374 178.272 175.900 -0.003 0.000 1.148 95 Y CA 2.357 60.459 58.100 0.002 0.000 1.125 95 Y CB -0.475 38.028 38.460 0.071 0.000 0.975 95 Y HN 0.074 nan 8.280 nan 0.000 0.492 96 V N 0.709 120.684 119.914 0.102 0.000 2.332 96 V HA -0.364 3.757 4.120 0.001 0.000 0.248 96 V C 2.694 178.762 176.094 -0.044 0.000 1.055 96 V CA 1.799 64.116 62.300 0.028 0.000 1.038 96 V CB -1.857 30.002 31.823 0.059 0.000 0.651 96 V HN 0.601 nan 8.190 nan 0.000 0.450 97 A N 0.176 122.952 122.820 -0.073 0.000 1.873 97 A HA -0.216 4.104 4.320 0.001 0.000 0.218 97 A C 2.251 179.839 177.584 0.006 0.000 1.193 97 A CA 2.252 54.258 52.037 -0.053 0.000 0.629 97 A CB -0.687 18.256 19.000 -0.095 0.000 0.826 97 A HN 0.496 nan 8.150 nan 0.000 0.447 98 L N -0.826 120.367 121.223 -0.051 0.000 2.012 98 L HA -0.231 4.110 4.340 0.001 0.000 0.210 98 L C 2.658 179.492 176.870 -0.060 0.000 1.073 98 L CA 2.075 56.897 54.840 -0.031 0.000 0.748 98 L CB -0.456 41.582 42.059 -0.035 0.000 0.891 98 L HN 0.473 nan 8.230 nan 0.000 0.431 99 K N -0.639 119.659 120.400 -0.171 0.000 2.103 99 K HA -0.276 4.045 4.320 0.001 0.000 0.207 99 K C 2.225 178.807 176.600 -0.031 0.000 1.048 99 K CA 1.710 57.904 56.287 -0.155 0.000 0.930 99 K CB -0.245 32.108 32.500 -0.246 0.000 0.716 99 K HN 0.241 nan 8.250 nan 0.000 0.444 100 Y N 0.782 121.024 120.300 -0.097 0.000 2.314 100 Y HA -0.026 4.525 4.550 0.001 0.000 0.293 100 Y C 1.530 177.406 175.900 -0.039 0.000 1.129 100 Y CA 1.219 59.277 58.100 -0.069 0.000 1.201 100 Y CB 0.099 38.510 38.460 -0.082 0.000 0.999 100 Y HN 0.000 nan 8.280 nan 0.000 0.541 101 I N -0.724 119.924 120.570 0.130 0.000 2.493 101 I HA -0.093 4.077 4.170 0.001 0.000 0.254 101 I C 2.006 178.102 176.117 -0.035 0.000 1.160 101 I CA 1.579 62.921 61.300 0.070 0.000 1.445 101 I CB -0.355 37.712 38.000 0.111 0.000 1.086 101 I HN 0.490 nan 8.210 nan 0.000 0.433 102 G N -0.925 107.846 108.800 -0.049 0.000 3.465 102 G HA2 -0.057 3.904 3.960 0.001 0.000 0.219 102 G HA3 -0.057 3.904 3.960 0.001 0.000 0.219 102 G C 0.429 175.307 174.900 -0.037 0.000 0.984 102 G CA -0.629 44.440 45.100 -0.053 0.000 0.864 102 G HN -0.065 nan 8.290 nan 0.000 0.485 103 M N 2.429 122.011 119.600 -0.030 0.000 2.247 103 M HA 0.331 4.811 4.480 0.001 0.000 0.318 103 M C 0.869 177.145 176.300 -0.042 0.000 1.054 103 M CA 0.662 55.944 55.300 -0.030 0.000 1.117 103 M CB 0.287 32.863 32.600 -0.040 0.000 1.515 103 M HN 0.556 nan 8.290 nan 0.000 0.442 104 S N 1.387 117.076 115.700 -0.018 0.000 2.501 104 S HA 0.491 4.962 4.470 0.001 0.000 0.301 104 S C 0.718 175.328 174.600 0.017 0.000 1.096 104 S CA -1.108 57.091 58.200 -0.002 0.000 1.063 104 S CB 1.533 64.740 63.200 0.011 0.000 1.042 104 S HN 0.756 nan 8.310 nan 0.000 0.494 105 R N 1.010 121.537 120.500 0.046 0.000 2.355 105 R HA -0.112 4.229 4.340 0.001 0.000 0.219 105 R C 0.022 176.388 176.300 0.110 0.000 1.107 105 R CA 1.410 57.580 56.100 0.117 0.000 1.021 105 R CB -0.637 29.761 30.300 0.163 0.000 0.852 105 R HN 0.598 nan 8.270 nan 0.000 0.475 106 D N 1.718 122.160 120.400 0.070 0.000 2.165 106 D HA -0.071 4.569 4.640 0.001 0.000 0.213 106 D C 0.031 176.365 176.300 0.056 0.000 0.983 106 D CA 0.402 54.437 54.000 0.059 0.000 0.881 106 D CB -0.425 40.399 40.800 0.041 0.000 1.028 106 D HN 0.299 nan 8.370 nan 0.000 0.457 107 E N 1.646 121.872 120.200 0.044 0.000 3.326 107 E HA -0.201 4.150 4.350 0.001 0.000 0.285 107 E C 0.844 177.471 176.600 0.045 0.000 0.864 107 E CA 0.204 56.627 56.400 0.038 0.000 0.984 107 E CB 0.602 30.322 29.700 0.033 0.000 0.952 107 E HN 0.172 nan 8.360 nan 0.000 0.525 108 E N 4.349 124.566 120.200 0.028 0.000 2.132 108 E HA -0.250 4.101 4.350 0.001 0.000 0.218 108 E C -0.950 175.665 176.600 0.025 0.000 1.058 108 E CA 2.709 59.120 56.400 0.019 0.000 0.882 108 E CB -0.751 28.948 29.700 -0.001 0.000 0.774 108 E HN 0.433 nan 8.360 nan 0.000 0.467 109 P HA -0.184 nan 4.420 nan 0.000 0.214 109 P C 1.408 178.776 177.300 0.113 0.000 1.163 109 P CA 1.905 65.022 63.100 0.029 0.000 0.883 109 P CB -0.085 31.637 31.700 0.035 0.000 0.788 110 M N -1.101 118.587 119.600 0.147 0.000 2.144 110 M HA -0.192 4.289 4.480 0.001 0.000 0.260 110 M C 2.046 178.516 176.300 0.283 0.000 1.067 110 M CA 1.756 57.213 55.300 0.262 0.000 1.095 110 M CB -1.802 30.896 32.600 0.163 0.000 1.365 110 M HN 0.042 nan 8.290 nan 0.000 0.406 111 Q N 0.728 120.623 119.800 0.158 0.000 1.993 111 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 111 Q C 2.113 178.171 176.000 0.096 0.000 0.984 111 Q CA 1.532 57.404 55.803 0.114 0.000 0.837 111 Q CB -0.427 28.353 28.738 0.070 0.000 0.902 111 Q HN 0.551 nan 8.270 nan 0.000 0.423 112 K N 0.290 120.731 120.400 0.068 0.000 2.044 112 K HA -0.153 4.168 4.320 0.001 0.000 0.210 112 K C 2.113 178.766 176.600 0.089 0.000 1.049 112 K CA 1.350 57.663 56.287 0.043 0.000 0.927 112 K CB -0.251 32.237 32.500 -0.020 0.000 0.713 112 K HN 0.162 nan 8.250 nan 0.000 0.443 113 A N 1.912 124.812 122.820 0.133 0.000 1.845 113 A HA -0.183 4.138 4.320 0.001 0.000 0.215 113 A C 2.178 179.854 177.584 0.153 0.000 1.195 113 A CA 1.281 53.454 52.037 0.226 0.000 0.616 113 A CB -0.909 18.338 19.000 0.412 0.000 0.832 113 A HN 0.267 nan 8.150 nan 0.000 0.443 114 L N -0.764 120.488 121.223 0.048 0.000 2.034 114 L HA -0.298 4.043 4.340 0.001 0.000 0.217 114 L C 2.941 179.774 176.870 -0.061 0.000 1.077 114 L CA 1.927 56.680 54.840 -0.144 0.000 0.769 114 L CB -0.333 41.680 42.059 -0.076 0.000 0.890 114 L HN 0.433 nan 8.230 nan 0.000 0.435 115 R N -1.171 119.342 120.500 0.022 0.000 2.081 115 R HA -0.218 4.122 4.340 0.001 0.000 0.235 115 R C 2.197 178.520 176.300 0.039 0.000 1.131 115 R CA 1.801 57.916 56.100 0.024 0.000 0.960 115 R CB -0.613 29.715 30.300 0.046 0.000 0.856 115 R HN 0.356 nan 8.270 nan 0.000 0.436 116 F N 1.719 121.655 119.950 -0.024 0.000 2.171 116 F HA -0.120 4.408 4.527 0.001 0.000 0.300 116 F C 1.948 177.736 175.800 -0.020 0.000 1.090 116 F CA 1.160 59.151 58.000 -0.015 0.000 1.293 116 F CB -0.231 38.765 39.000 -0.005 0.000 1.013 116 F HN -0.126 nan 8.300 nan 0.000 0.486 117 I N 0.238 120.636 120.570 -0.286 0.000 2.315 117 I HA -0.299 3.872 4.170 0.001 0.000 0.248 117 I C 2.342 178.263 176.117 -0.327 0.000 1.117 117 I CA 1.369 62.435 61.300 -0.391 0.000 1.404 117 I CB -0.643 37.215 38.000 -0.238 0.000 1.071 117 I HN 0.273 nan 8.210 nan 0.000 0.419 118 Q N 0.467 120.138 119.800 -0.216 0.000 2.079 118 Q HA -0.157 4.184 4.340 0.001 0.000 0.200 118 Q C 2.229 178.142 176.000 -0.145 0.000 0.974 118 Q CA 1.863 57.578 55.803 -0.147 0.000 0.840 118 Q CB -0.260 28.425 28.738 -0.087 0.000 0.898 118 Q HN 0.565 nan 8.270 nan 0.000 0.430 119 S N 0.233 115.837 115.700 -0.160 0.000 2.584 119 S HA -0.081 4.390 4.470 0.001 0.000 0.240 119 S C 1.358 175.857 174.600 -0.169 0.000 0.975 119 S CA 0.634 58.761 58.200 -0.122 0.000 0.949 119 S CB 0.115 63.277 63.200 -0.063 0.000 0.761 119 S HN 0.225 nan 8.310 nan 0.000 0.536 120 Q N -0.143 119.505 119.800 -0.254 0.000 2.189 120 Q HA 0.321 4.662 4.340 0.001 0.000 0.223 120 Q C 1.229 177.147 176.000 -0.136 0.000 0.828 120 Q CA 0.609 56.274 55.803 -0.230 0.000 0.967 120 Q CB 0.829 29.324 28.738 -0.404 0.000 1.139 120 Q HN 0.734 nan 8.270 nan 0.000 0.497 121 G N 0.206 108.940 108.800 -0.109 0.000 2.163 121 G HA2 -0.114 3.846 3.960 0.001 0.000 0.213 121 G HA3 -0.114 3.846 3.960 0.001 0.000 0.213 121 G C 0.650 175.514 174.900 -0.060 0.000 0.991 121 G CA 0.184 45.249 45.100 -0.057 0.000 0.653 121 G HN 0.720 nan 8.290 nan 0.000 0.518 122 G N -0.312 108.419 108.800 -0.114 0.000 2.569 122 G HA2 -0.189 3.771 3.960 0.001 0.000 0.259 122 G HA3 -0.189 3.771 3.960 0.001 0.000 0.259 122 G C 1.128 175.942 174.900 -0.144 0.000 1.263 122 G CA 0.463 45.482 45.100 -0.134 0.000 0.928 122 G HN 1.345 nan 8.290 nan 0.000 0.572 123 I N 0.729 121.181 120.570 -0.196 0.000 2.423 123 I HA -0.091 4.079 4.170 0.001 0.000 0.254 123 I C 2.209 178.246 176.117 -0.134 0.000 1.151 123 I CA 2.056 63.221 61.300 -0.225 0.000 1.421 123 I CB -0.174 37.588 38.000 -0.397 0.000 1.079 123 I HN 0.520 nan 8.210 nan 0.000 0.431 124 E N 0.536 120.728 120.200 -0.013 0.000 2.515 124 E HA -0.068 4.283 4.350 0.001 0.000 0.201 124 E C 1.519 178.125 176.600 0.010 0.000 1.071 124 E CA 0.439 56.875 56.400 0.060 0.000 0.880 124 E CB 0.068 29.845 29.700 0.129 0.000 0.828 124 E HN 0.444 nan 8.360 nan 0.000 0.540 125 S N -0.167 115.513 115.700 -0.034 0.000 2.559 125 S HA 0.045 4.516 4.470 0.001 0.000 0.226 125 S C 0.626 175.208 174.600 -0.030 0.000 1.000 125 S CA -0.325 57.860 58.200 -0.024 0.000 0.948 125 S CB 0.566 63.746 63.200 -0.033 0.000 0.870 125 S HN 0.177 nan 8.310 nan 0.000 0.497 126 S N 2.672 118.332 115.700 -0.067 0.000 2.610 126 S HA 0.480 4.951 4.470 0.001 0.000 0.273 126 S C 0.280 174.835 174.600 -0.074 0.000 1.274 126 S CA -1.073 57.088 58.200 -0.065 0.000 1.023 126 S CB 0.647 63.784 63.200 -0.106 0.000 0.962 126 S HN 0.540 nan 8.310 nan 0.000 0.523 127 R N 0.905 121.378 120.500 -0.045 0.000 2.873 127 R HA 0.135 4.475 4.340 0.001 0.000 0.267 127 R C 0.767 176.965 176.300 -0.170 0.000 1.009 127 R CA -0.497 55.556 56.100 -0.079 0.000 1.152 127 R CB -0.309 29.956 30.300 -0.057 0.000 1.047 127 R HN 0.390 nan 8.270 nan 0.000 0.470 128 V N 0.877 120.619 119.914 -0.286 0.000 2.252 128 V HA -0.301 3.820 4.120 0.001 0.000 0.249 128 V C 2.167 178.088 176.094 -0.288 0.000 1.056 128 V CA 2.002 64.080 62.300 -0.370 0.000 1.022 128 V CB -0.919 30.494 31.823 -0.685 0.000 0.641 128 V HN 0.684 nan 8.190 nan 0.000 0.445 129 F N 1.059 120.856 119.950 -0.254 0.000 2.063 129 F HA -0.247 4.280 4.527 0.001 0.000 0.298 129 F C 2.680 178.504 175.800 0.039 0.000 1.109 129 F CA 2.141 60.080 58.000 -0.103 0.000 1.212 129 F CB -1.730 37.217 39.000 -0.089 0.000 0.973 129 F HN 0.123 nan 8.300 nan 0.000 0.480 130 T N -0.352 114.293 114.554 0.151 0.000 2.720 130 T HA -0.212 4.139 4.350 0.001 0.000 0.268 130 T C 2.127 176.803 174.700 -0.041 0.000 1.037 130 T CA 1.560 63.700 62.100 0.066 0.000 1.144 130 T CB -0.273 68.572 68.868 -0.038 0.000 0.864 130 T HN 0.198 nan 8.240 nan 0.000 0.444 131 R N 0.181 120.559 120.500 -0.204 0.000 2.115 131 R HA 0.135 4.475 4.340 0.001 0.000 0.226 131 R C 2.540 178.666 176.300 -0.290 0.000 1.100 131 R CA 0.961 56.771 56.100 -0.483 0.000 0.980 131 R CB -0.290 29.565 30.300 -0.742 0.000 0.875 131 R HN 0.413 nan 8.270 nan 0.000 0.445 132 M N -0.507 118.999 119.600 -0.158 0.000 2.099 132 M HA -0.179 4.302 4.480 0.001 0.000 0.262 132 M C 1.411 177.580 176.300 -0.219 0.000 1.067 132 M CA 1.778 56.938 55.300 -0.233 0.000 1.124 132 M CB -0.163 32.373 32.600 -0.107 0.000 1.353 132 M HN 0.149 nan 8.290 nan 0.000 0.410 133 W N 0.951 122.217 121.300 -0.057 0.000 2.318 133 W HA -0.213 4.447 4.660 0.001 0.000 0.313 133 W C 2.130 178.620 176.519 -0.048 0.000 1.221 133 W CA 1.431 58.774 57.345 -0.004 0.000 1.266 133 W CB -0.560 28.907 29.460 0.012 0.000 1.150 133 W HN 0.212 nan 8.180 nan 0.000 0.496 134 L N -0.355 120.949 121.223 0.136 0.000 2.131 134 L HA -0.222 4.118 4.340 0.001 0.000 0.210 134 L C 2.582 179.467 176.870 0.025 0.000 1.092 134 L CA 1.212 56.096 54.840 0.073 0.000 0.759 134 L CB -1.148 40.911 42.059 -0.001 0.000 0.903 134 L HN 0.016 nan 8.230 nan 0.000 0.435 135 A N 0.006 122.736 122.820 -0.150 0.000 1.930 135 A HA -0.154 4.166 4.320 0.001 0.000 0.217 135 A C 2.234 179.599 177.584 -0.365 0.000 1.175 135 A CA 1.292 53.065 52.037 -0.441 0.000 0.627 135 A CB -0.624 17.708 19.000 -1.114 0.000 0.815 135 A HN 0.348 nan 8.150 nan 0.000 0.443 136 L N -0.124 120.988 121.223 -0.185 0.000 2.131 136 L HA -0.145 4.196 4.340 0.001 0.000 0.210 136 L C 2.136 179.198 176.870 0.319 0.000 1.092 136 L CA 1.453 56.406 54.840 0.188 0.000 0.759 136 L CB -0.208 41.957 42.059 0.176 0.000 0.903 136 L HN 0.454 nan 8.230 nan 0.000 0.435 137 V N -3.828 116.236 119.914 0.251 0.000 3.596 137 V HA 0.475 4.596 4.120 0.001 0.000 0.289 137 V C 1.200 177.422 176.094 0.214 0.000 1.336 137 V CA 0.225 62.701 62.300 0.294 0.000 1.137 137 V CB -0.401 31.569 31.823 0.244 0.000 0.966 137 V HN 0.448 nan 8.190 nan 0.000 0.428 138 G N 0.964 109.861 108.800 0.162 0.000 2.160 138 G HA2 -0.208 3.753 3.960 0.001 0.000 0.244 138 G HA3 -0.208 3.753 3.960 0.001 0.000 0.244 138 G C 0.298 175.284 174.900 0.144 0.000 1.022 138 G CA 0.468 45.651 45.100 0.139 0.000 0.741 138 G HN 0.540 nan 8.290 nan 0.000 0.508 139 E N -1.374 118.921 120.200 0.160 0.000 2.501 139 E HA 0.291 4.642 4.350 0.001 0.000 0.201 139 E C -0.259 176.540 176.600 0.332 0.000 1.016 139 E CA -0.139 56.389 56.400 0.213 0.000 0.920 139 E CB 0.513 30.313 29.700 0.167 0.000 1.023 139 E HN 0.665 nan 8.360 nan 0.000 0.474 140 Y N 0.944 121.287 120.300 0.072 0.000 2.480 140 Y HA 0.251 4.801 4.550 0.001 0.000 0.329 140 Y C -2.595 173.298 175.900 -0.012 0.000 1.127 140 Y CA -2.399 55.747 58.100 0.077 0.000 1.037 140 Y CB 1.927 40.391 38.460 0.006 0.000 1.320 140 Y HN -0.167 nan 8.280 nan 0.000 0.446 141 P HA -0.033 nan 4.420 nan 0.000 0.267 141 P C 0.165 177.396 177.300 -0.116 0.000 1.205 141 P CA 0.384 63.349 63.100 -0.226 0.000 0.765 141 P CB 0.797 32.321 31.700 -0.294 0.000 0.828 142 W N 1.987 123.297 121.300 0.016 0.000 2.402 142 W HA -0.129 4.531 4.660 0.001 0.000 0.286 142 W C 2.057 178.657 176.519 0.134 0.000 1.221 142 W CA 0.829 58.231 57.345 0.095 0.000 1.257 142 W CB -0.377 29.120 29.460 0.062 0.000 1.120 142 W HN 0.415 nan 8.180 nan 0.000 0.551 143 E N 0.289 120.670 120.200 0.301 0.000 2.171 143 E HA -0.207 4.143 4.350 0.001 0.000 0.197 143 E C 1.492 178.112 176.600 0.034 0.000 0.997 143 E CA 1.388 57.923 56.400 0.225 0.000 0.810 143 E CB -0.341 29.405 29.700 0.078 0.000 0.738 143 E HN 0.215 nan 8.360 nan 0.000 0.467 144 K N 0.282 120.692 120.400 0.018 0.000 2.458 144 K HA 0.135 4.456 4.320 0.001 0.000 0.194 144 K C -0.408 176.321 176.600 0.216 0.000 1.024 144 K CA 0.026 56.322 56.287 0.016 0.000 1.108 144 K CB 0.797 33.248 32.500 -0.081 0.000 0.846 144 K HN -0.035 nan 8.250 nan 0.000 0.518 145 V N 3.187 123.308 119.914 0.344 0.000 2.370 145 V HA 0.175 4.295 4.120 0.001 0.000 0.279 145 V C -2.381 173.981 176.094 0.448 0.000 1.029 145 V CA -2.482 60.039 62.300 0.369 0.000 0.870 145 V CB 1.089 33.130 31.823 0.363 0.000 0.984 145 V HN -0.001 nan 8.190 nan 0.000 0.451 146 P HA -0.001 nan 4.420 nan 0.000 0.258 146 P C -0.322 177.195 177.300 0.362 0.000 1.172 146 P CA 0.182 63.511 63.100 0.381 0.000 0.762 146 P CB 0.230 32.110 31.700 0.300 0.000 0.764 147 M N 5.236 124.978 119.600 0.237 0.000 2.185 147 M HA 0.267 4.747 4.480 0.001 0.000 0.357 147 M C -1.101 175.147 176.300 -0.087 0.000 1.260 147 M CA 0.126 55.392 55.300 -0.057 0.000 1.124 147 M CB 0.579 32.949 32.600 -0.384 0.000 1.600 147 M HN -0.001 nan 8.290 nan 0.000 0.467 148 V N 8.587 128.381 119.914 -0.200 0.000 2.419 148 V HA 0.523 4.643 4.120 0.001 0.000 0.287 148 V C -2.241 173.688 176.094 -0.275 0.000 1.017 148 V CA -1.188 60.934 62.300 -0.296 0.000 0.844 148 V CB 1.464 32.951 31.823 -0.560 0.000 1.011 148 V HN 0.804 nan 8.190 nan 0.000 0.429 149 P HA 0.340 nan 4.420 nan 0.000 0.282 149 P C -2.523 174.641 177.300 -0.227 0.000 1.249 149 P CA -1.939 61.040 63.100 -0.202 0.000 0.806 149 P CB 1.827 33.462 31.700 -0.107 0.000 0.984 150 P HA -0.125 nan 4.420 nan 0.000 0.218 150 P C 1.133 178.246 177.300 -0.313 0.000 1.149 150 P CA 1.433 64.371 63.100 -0.270 0.000 0.817 150 P CB -0.037 31.523 31.700 -0.234 0.000 0.785 151 E N -0.567 119.516 120.200 -0.195 0.000 2.331 151 E HA -0.155 4.196 4.350 0.001 0.000 0.199 151 E C 1.768 178.291 176.600 -0.128 0.000 1.008 151 E CA 0.423 56.752 56.400 -0.118 0.000 0.843 151 E CB -1.110 28.704 29.700 0.189 0.000 0.761 151 E HN 0.299 nan 8.360 nan 0.000 0.507 152 I N -0.008 120.461 120.570 -0.170 0.000 2.700 152 I HA -0.239 3.932 4.170 0.001 0.000 0.261 152 I C 1.108 177.100 176.117 -0.208 0.000 1.219 152 I CA 0.814 62.024 61.300 -0.149 0.000 1.463 152 I CB 0.106 37.976 38.000 -0.217 0.000 1.092 152 I HN 0.142 nan 8.210 nan 0.000 0.452 153 M N -0.161 119.224 119.600 -0.358 0.000 2.549 153 M HA -0.107 4.374 4.480 0.001 0.000 0.260 153 M C 1.402 177.530 176.300 -0.287 0.000 1.076 153 M CA 1.275 56.331 55.300 -0.406 0.000 1.090 153 M CB -1.009 31.273 32.600 -0.530 0.000 1.418 153 M HN 0.232 nan 8.290 nan 0.000 0.486 154 F N -0.243 119.688 119.950 -0.033 0.000 2.698 154 F HA 0.205 4.733 4.527 0.001 0.000 0.295 154 F C 1.041 176.843 175.800 0.004 0.000 1.124 154 F CA -0.601 57.393 58.000 -0.010 0.000 1.426 154 F CB -0.689 38.311 39.000 -0.000 0.000 1.120 154 F HN -0.090 nan 8.300 nan 0.000 0.583 155 L N 0.605 121.927 121.223 0.165 0.000 2.525 155 L HA 0.139 4.480 4.340 0.001 0.000 0.278 155 L C 1.228 178.171 176.870 0.121 0.000 1.218 155 L CA -0.075 54.838 54.840 0.121 0.000 0.878 155 L CB -0.432 41.679 42.059 0.088 0.000 1.127 155 L HN 0.140 nan 8.230 nan 0.000 0.492 156 G N 2.196 111.059 108.800 0.107 0.000 2.634 156 G HA2 0.123 4.084 3.960 0.001 0.000 0.255 156 G HA3 0.123 4.084 3.960 0.001 0.000 0.255 156 G C 0.688 175.657 174.900 0.116 0.000 1.205 156 G CA -0.550 44.611 45.100 0.101 0.000 0.884 156 G HN 0.772 nan 8.290 nan 0.000 0.549 157 K N -0.179 120.280 120.400 0.099 0.000 2.127 157 K HA -0.133 4.187 4.320 0.001 0.000 0.208 157 K C 1.136 177.786 176.600 0.084 0.000 1.047 157 K CA 1.241 57.580 56.287 0.087 0.000 0.927 157 K CB -0.035 32.464 32.500 -0.002 0.000 0.716 157 K HN 0.475 nan 8.250 nan 0.000 0.450 158 R N 1.186 121.723 120.500 0.061 0.000 2.505 158 R HA 0.363 4.703 4.340 0.001 0.000 0.284 158 R C -0.737 175.594 176.300 0.053 0.000 1.324 158 R CA 0.041 56.172 56.100 0.052 0.000 1.432 158 R CB 0.058 30.377 30.300 0.032 0.000 1.107 158 R HN 0.014 nan 8.270 nan 0.000 0.587 159 M N 2.181 121.821 119.600 0.066 0.000 2.534 159 M HA 0.366 4.847 4.480 0.001 0.000 0.280 159 M C -2.704 173.635 176.300 0.065 0.000 1.217 159 M CA -1.953 53.383 55.300 0.061 0.000 0.893 159 M CB 3.771 36.412 32.600 0.068 0.000 1.730 159 M HN 0.103 nan 8.290 nan 0.000 0.483 160 P HA 0.077 nan 4.420 nan 0.000 0.261 160 P C 0.037 177.384 177.300 0.078 0.000 1.203 160 P CA 0.509 63.645 63.100 0.060 0.000 0.767 160 P CB 0.213 31.948 31.700 0.059 0.000 0.785 161 L N -0.607 120.658 121.223 0.070 0.000 4.351 161 L HA -0.276 4.065 4.340 0.001 0.000 0.410 161 L C 0.747 177.732 176.870 0.191 0.000 1.150 161 L CA 0.431 55.346 54.840 0.125 0.000 0.961 161 L CB -2.229 39.916 42.059 0.143 0.000 2.130 161 L HN 0.527 nan 8.230 nan 0.000 0.787 162 N N 1.163 119.949 118.700 0.144 0.000 2.415 162 N HA 0.244 4.985 4.740 0.001 0.000 0.248 162 N C 1.445 177.038 175.510 0.139 0.000 1.271 162 N CA 0.150 53.274 53.050 0.123 0.000 0.913 162 N CB 0.461 39.042 38.487 0.156 0.000 1.129 162 N HN 0.376 nan 8.380 nan 0.000 0.444 163 I N -2.905 117.616 120.570 -0.082 0.000 2.657 163 I HA -0.205 3.965 4.170 0.001 0.000 0.261 163 I C 0.210 176.200 176.117 -0.211 0.000 1.212 163 I CA 1.137 62.256 61.300 -0.303 0.000 1.453 163 I CB -0.530 37.032 38.000 -0.730 0.000 1.092 163 I HN 0.466 nan 8.210 nan 0.000 0.452 164 Y N 1.583 121.952 120.300 0.116 0.000 2.471 164 Y HA 0.200 4.751 4.550 0.001 0.000 0.286 164 Y C 1.923 177.898 175.900 0.125 0.000 1.188 164 Y CA 0.134 58.313 58.100 0.133 0.000 1.286 164 Y CB -0.248 38.280 38.460 0.114 0.000 1.072 164 Y HN 0.297 nan 8.280 nan 0.000 0.517 165 E N -0.689 119.650 120.200 0.232 0.000 2.474 165 E HA 0.079 4.429 4.350 0.001 0.000 0.195 165 E C -0.485 176.057 176.600 -0.098 0.000 1.039 165 E CA 0.025 56.456 56.400 0.052 0.000 0.881 165 E CB 0.284 29.961 29.700 -0.038 0.000 0.970 165 E HN 0.203 nan 8.360 nan 0.000 0.486 166 F N 0.710 120.606 119.950 -0.090 0.000 2.403 166 F HA 0.399 4.927 4.527 0.001 0.000 0.326 166 F C 1.353 177.021 175.800 -0.220 0.000 1.081 166 F CA -0.783 57.121 58.000 -0.159 0.000 1.041 166 F CB 0.673 39.557 39.000 -0.193 0.000 1.234 166 F HN -0.218 nan 8.300 nan 0.000 0.503 167 G N 0.139 108.804 108.800 -0.226 0.000 2.544 167 G HA2 0.288 4.249 3.960 0.001 0.000 0.242 167 G HA3 0.288 4.249 3.960 0.001 0.000 0.242 167 G C 0.822 175.375 174.900 -0.578 0.000 1.247 167 G CA 0.064 44.772 45.100 -0.654 0.000 0.840 167 G HN 0.810 nan 8.290 nan 0.000 0.578 168 S N 0.546 116.004 115.700 -0.402 0.000 2.372 168 S HA -0.272 4.199 4.470 0.001 0.000 0.227 168 S C 1.936 176.405 174.600 -0.217 0.000 1.044 168 S CA 2.277 60.368 58.200 -0.183 0.000 1.050 168 S CB -0.792 62.301 63.200 -0.178 0.000 0.901 168 S HN 0.994 nan 8.310 nan 0.000 0.447 169 W N 2.258 123.560 121.300 0.004 0.000 2.425 169 W HA 0.422 5.082 4.660 0.001 0.000 0.277 169 W C 2.290 178.899 176.519 0.150 0.000 1.231 169 W CA 0.349 57.730 57.345 0.060 0.000 1.248 169 W CB -0.820 28.759 29.460 0.198 0.000 1.117 169 W HN 0.362 nan 8.180 nan 0.000 0.568 170 A N 1.107 123.897 122.820 -0.049 0.000 1.935 170 A HA 0.026 4.347 4.320 0.001 0.000 0.214 170 A C 2.236 179.800 177.584 -0.034 0.000 1.178 170 A CA 1.207 53.327 52.037 0.138 0.000 0.640 170 A CB -0.806 18.282 19.000 0.148 0.000 0.825 170 A HN 0.329 nan 8.150 nan 0.000 0.447 171 R N -0.020 120.400 120.500 -0.134 0.000 2.122 171 R HA -0.212 4.129 4.340 0.001 0.000 0.236 171 R C 2.318 178.432 176.300 -0.311 0.000 1.129 171 R CA 1.947 57.874 56.100 -0.289 0.000 0.925 171 R CB -0.518 29.687 30.300 -0.159 0.000 0.850 171 R HN 0.416 nan 8.270 nan 0.000 0.431 172 A N -0.217 122.583 122.820 -0.033 0.000 1.917 172 A HA -0.184 4.136 4.320 0.001 0.000 0.219 172 A C 2.232 179.824 177.584 0.013 0.000 1.182 172 A CA 2.256 54.366 52.037 0.121 0.000 0.633 172 A CB -0.998 18.195 19.000 0.323 0.000 0.819 172 A HN 0.563 nan 8.150 nan 0.000 0.448 173 T N -0.287 114.308 114.554 0.067 0.000 2.708 173 T HA -0.119 4.232 4.350 0.001 0.000 0.266 173 T C 1.881 176.528 174.700 -0.088 0.000 1.037 173 T CA 1.593 63.773 62.100 0.133 0.000 1.146 173 T CB -0.501 68.555 68.868 0.312 0.000 0.865 173 T HN 0.190 nan 8.240 nan 0.000 0.435 174 V N 1.474 121.235 119.914 -0.256 0.000 2.332 174 V HA -0.161 3.960 4.120 0.001 0.000 0.248 174 V C 2.669 178.473 176.094 -0.483 0.000 1.055 174 V CA 1.351 63.356 62.300 -0.492 0.000 1.038 174 V CB -0.865 30.488 31.823 -0.783 0.000 0.651 174 V HN 0.331 nan 8.190 nan 0.000 0.450 175 V N 0.473 120.094 119.914 -0.488 0.000 2.270 175 V HA -0.225 3.896 4.120 0.001 0.000 0.245 175 V C 2.755 178.676 176.094 -0.288 0.000 1.043 175 V CA 2.025 64.044 62.300 -0.468 0.000 1.014 175 V CB -1.325 30.130 31.823 -0.613 0.000 0.645 175 V HN 0.537 nan 8.190 nan 0.000 0.447 176 A N -0.286 122.416 122.820 -0.197 0.000 1.940 176 A HA -0.154 4.166 4.320 0.001 0.000 0.219 176 A C 2.252 179.743 177.584 -0.155 0.000 1.176 176 A CA 1.847 53.799 52.037 -0.141 0.000 0.631 176 A CB -0.574 18.382 19.000 -0.075 0.000 0.814 176 A HN 0.503 nan 8.150 nan 0.000 0.446 177 L N 0.324 121.421 121.223 -0.210 0.000 2.093 177 L HA -0.162 4.178 4.340 0.001 0.000 0.208 177 L C 3.034 179.748 176.870 -0.259 0.000 1.085 177 L CA 1.434 56.124 54.840 -0.249 0.000 0.755 177 L CB -0.489 41.378 42.059 -0.321 0.000 0.904 177 L HN 0.636 nan 8.230 nan 0.000 0.435 178 S N 0.237 115.751 115.700 -0.309 0.000 2.402 178 S HA -0.209 4.261 4.470 0.001 0.000 0.233 178 S C 1.852 176.299 174.600 -0.256 0.000 1.030 178 S CA 1.194 59.212 58.200 -0.303 0.000 1.003 178 S CB -0.695 62.308 63.200 -0.329 0.000 0.813 178 S HN 0.404 nan 8.310 nan 0.000 0.477 179 I N 1.209 121.649 120.570 -0.218 0.000 2.286 179 I HA -0.097 4.073 4.170 0.001 0.000 0.245 179 I C 2.444 178.452 176.117 -0.181 0.000 1.104 179 I CA 0.962 62.154 61.300 -0.180 0.000 1.397 179 I CB -0.527 37.393 38.000 -0.134 0.000 1.072 179 I HN 0.228 nan 8.210 nan 0.000 0.417 180 V N 0.858 120.675 119.914 -0.162 0.000 2.307 180 V HA -0.270 3.850 4.120 0.001 0.000 0.245 180 V C 2.430 178.351 176.094 -0.288 0.000 1.045 180 V CA 1.805 64.018 62.300 -0.144 0.000 1.024 180 V CB -0.563 31.231 31.823 -0.048 0.000 0.651 180 V HN 0.388 nan 8.190 nan 0.000 0.449 181 M N -0.140 119.283 119.600 -0.294 0.000 2.374 181 M HA -0.107 4.374 4.480 0.001 0.000 0.264 181 M C 2.416 178.436 176.300 -0.467 0.000 1.067 181 M CA 1.484 56.525 55.300 -0.430 0.000 1.103 181 M CB -0.563 31.892 32.600 -0.242 0.000 1.402 181 M HN 0.424 nan 8.290 nan 0.000 0.444 182 S N 0.631 116.109 115.700 -0.369 0.000 2.368 182 S HA -0.074 4.396 4.470 0.001 0.000 0.224 182 S C 2.028 176.397 174.600 -0.386 0.000 1.029 182 S CA 1.084 59.066 58.200 -0.364 0.000 0.988 182 S CB 0.055 63.084 63.200 -0.286 0.000 0.838 182 S HN 0.376 nan 8.310 nan 0.000 0.462 183 R N 0.612 120.894 120.500 -0.363 0.000 2.223 183 R HA 0.251 4.592 4.340 0.001 0.000 0.198 183 R C 0.261 176.280 176.300 -0.470 0.000 0.984 183 R CA 0.189 56.088 56.100 -0.336 0.000 1.018 183 R CB -0.905 29.260 30.300 -0.225 0.000 0.945 183 R HN 0.589 nan 8.270 nan 0.000 0.479 184 Q N 1.235 120.581 119.800 -0.756 0.000 2.447 184 Q HA -0.133 4.207 4.340 0.001 0.000 0.348 184 Q C -2.114 173.453 176.000 -0.721 0.000 1.421 184 Q CA 0.104 55.083 55.803 -1.373 0.000 0.978 184 Q CB -1.278 26.681 28.738 -1.297 0.000 1.191 184 Q HN 0.302 nan 8.270 nan 0.000 0.371 185 P HA 0.340 nan 4.420 nan 0.000 0.276 185 P C -0.395 176.930 177.300 0.041 0.000 1.244 185 P CA -0.337 62.661 63.100 -0.169 0.000 0.801 185 P CB 1.446 33.068 31.700 -0.129 0.000 1.006 186 V N 2.762 122.540 119.914 -0.226 0.000 2.525 186 V HA 0.319 4.439 4.120 0.001 0.000 0.299 186 V C -0.647 175.231 176.094 -0.361 0.000 1.034 186 V CA -0.294 61.967 62.300 -0.064 0.000 0.863 186 V CB 1.232 33.107 31.823 0.087 0.000 0.999 186 V HN 0.344 nan 8.190 nan 0.000 0.423 187 F N 5.677 125.734 119.950 0.177 0.000 2.359 187 F HA 0.480 5.007 4.527 0.001 0.000 0.370 187 F C -2.180 173.786 175.800 0.277 0.000 1.077 187 F CA -2.542 55.554 58.000 0.160 0.000 1.136 187 F CB 1.158 40.211 39.000 0.087 0.000 1.387 187 F HN 0.312 nan 8.300 nan 0.000 0.468 188 P HA 0.008 nan 4.420 nan 0.000 0.266 188 P C -0.420 177.102 177.300 0.370 0.000 1.186 188 P CA 0.296 63.563 63.100 0.278 0.000 0.767 188 P CB 0.721 32.529 31.700 0.181 0.000 0.820 189 L N 4.133 125.489 121.223 0.221 0.000 2.352 189 L HA 0.531 4.872 4.340 0.001 0.000 0.269 189 L C -1.770 175.179 176.870 0.132 0.000 1.034 189 L CA -2.252 52.660 54.840 0.120 0.000 0.806 189 L CB 0.836 42.936 42.059 0.068 0.000 1.244 189 L HN 0.295 nan 8.230 nan 0.000 0.447 190 P HA 0.086 nan 4.420 nan 0.000 0.272 190 P C -0.249 177.082 177.300 0.053 0.000 1.230 190 P CA -0.300 62.842 63.100 0.069 0.000 0.788 190 P CB 0.911 32.623 31.700 0.021 0.000 0.949 191 E N 0.773 121.002 120.200 0.048 0.000 2.130 191 E HA -0.218 4.132 4.350 0.001 0.000 0.196 191 E C 2.102 178.724 176.600 0.036 0.000 0.998 191 E CA 1.261 57.689 56.400 0.047 0.000 0.806 191 E CB -0.430 29.294 29.700 0.041 0.000 0.738 191 E HN 0.429 nan 8.360 nan 0.000 0.459 192 R N 0.041 120.549 120.500 0.013 0.000 2.185 192 R HA -0.153 4.187 4.340 0.001 0.000 0.247 192 R C 1.347 177.646 176.300 -0.002 0.000 1.159 192 R CA 1.502 57.599 56.100 -0.005 0.000 0.988 192 R CB -0.075 30.202 30.300 -0.039 0.000 0.871 192 R HN 0.242 nan 8.270 nan 0.000 0.458 193 A N 0.354 123.183 122.820 0.013 0.000 2.431 193 A HA 0.207 4.528 4.320 0.001 0.000 0.239 193 A C -0.144 177.487 177.584 0.079 0.000 1.230 193 A CA -0.494 51.566 52.037 0.039 0.000 0.928 193 A CB 0.221 19.261 19.000 0.066 0.000 1.006 193 A HN 0.044 nan 8.150 nan 0.000 0.520 194 R N 0.189 120.740 120.500 0.084 0.000 2.638 194 R HA 0.118 4.459 4.340 0.001 0.000 0.268 194 R C 0.233 176.608 176.300 0.126 0.000 1.006 194 R CA 0.628 56.793 56.100 0.108 0.000 1.088 194 R CB 0.022 30.384 30.300 0.103 0.000 0.950 194 R HN 0.430 nan 8.270 nan 0.000 0.419 195 V N -0.081 119.921 119.914 0.146 0.000 2.699 195 V HA 0.177 4.297 4.120 0.001 0.000 0.311 195 V C -1.531 174.650 176.094 0.145 0.000 1.160 195 V CA -1.223 61.178 62.300 0.168 0.000 1.313 195 V CB 0.955 32.898 31.823 0.201 0.000 1.553 195 V HN 0.524 nan 8.190 nan 0.000 0.630 196 P HA -0.246 nan 4.420 nan 0.000 0.216 196 P C 1.488 178.917 177.300 0.215 0.000 1.150 196 P CA 2.084 65.340 63.100 0.260 0.000 0.843 196 P CB 0.260 32.076 31.700 0.193 0.000 0.787 197 E N 0.600 120.878 120.200 0.130 0.000 2.393 197 E HA -0.167 4.183 4.350 0.001 0.000 0.201 197 E C 1.878 178.470 176.600 -0.013 0.000 1.025 197 E CA 0.794 57.238 56.400 0.074 0.000 0.856 197 E CB -1.134 28.611 29.700 0.075 0.000 0.771 197 E HN 0.356 nan 8.360 nan 0.000 0.526 198 L N -0.420 120.751 121.223 -0.087 0.000 2.478 198 L HA -0.042 4.299 4.340 0.001 0.000 0.223 198 L C 1.525 178.235 176.870 -0.267 0.000 1.140 198 L CA 0.642 55.335 54.840 -0.245 0.000 0.842 198 L CB -0.286 41.570 42.059 -0.338 0.000 0.953 198 L HN 0.057 nan 8.230 nan 0.000 0.452 199 Y N -0.423 119.884 120.300 0.011 0.000 2.479 199 Y HA 0.039 4.589 4.550 0.001 0.000 0.283 199 Y C 1.237 177.139 175.900 0.004 0.000 1.109 199 Y CA -0.454 57.658 58.100 0.020 0.000 1.239 199 Y CB 0.027 38.511 38.460 0.039 0.000 1.108 199 Y HN 0.053 nan 8.280 nan 0.000 0.548 200 E N 1.660 121.952 120.200 0.152 0.000 2.126 200 E HA 0.018 4.369 4.350 0.001 0.000 0.261 200 E C -0.604 176.020 176.600 0.039 0.000 1.180 200 E CA 0.470 56.920 56.400 0.083 0.000 1.055 200 E CB -0.457 29.281 29.700 0.063 0.000 1.088 200 E HN 0.111 nan 8.360 nan 0.000 0.444 201 T N 0.632 115.211 114.554 0.042 0.000 2.885 201 T HA 0.060 4.411 4.350 0.001 0.000 0.322 201 T C 0.108 174.821 174.700 0.021 0.000 1.387 201 T CA -0.918 61.191 62.100 0.014 0.000 1.041 201 T CB 1.320 70.180 68.868 -0.012 0.000 1.287 201 T HN 0.351 nan 8.240 nan 0.000 0.491 202 D N 0.399 120.805 120.400 0.011 0.000 2.323 202 D HA 0.033 4.674 4.640 0.001 0.000 0.218 202 D C 0.939 177.244 176.300 0.009 0.000 0.973 202 D CA 0.329 54.337 54.000 0.013 0.000 0.890 202 D CB -0.387 40.419 40.800 0.011 0.000 1.011 202 D HN 0.315 nan 8.370 nan 0.000 0.499 203 V N 4.129 124.042 119.914 -0.001 0.000 2.872 203 V HA -0.004 4.117 4.120 0.001 0.000 0.302 203 V C -1.791 174.305 176.094 0.003 0.000 1.166 203 V CA -0.440 61.857 62.300 -0.004 0.000 1.298 203 V CB -0.130 31.679 31.823 -0.023 0.000 0.894 203 V HN 0.222 nan 8.190 nan 0.000 0.509 204 P HA 0.180 nan 4.420 nan 0.000 0.271 204 P C -2.524 174.784 177.300 0.013 0.000 1.220 204 P CA -1.462 61.646 63.100 0.015 0.000 0.768 204 P CB 0.288 31.998 31.700 0.017 0.000 0.848 205 P HA 0.042 nan 4.420 nan 0.000 0.265 205 P C 0.001 177.315 177.300 0.023 0.000 1.222 205 P CA 0.149 63.263 63.100 0.023 0.000 0.767 205 P CB 0.296 32.023 31.700 0.045 0.000 0.801 206 R N 3.029 123.538 120.500 0.015 0.000 2.593 206 R HA 0.403 4.744 4.340 0.001 0.000 0.282 206 R C 0.031 176.347 176.300 0.028 0.000 1.300 206 R CA -0.967 55.147 56.100 0.023 0.000 1.221 206 R CB 0.108 30.421 30.300 0.022 0.000 1.157 206 R HN 0.197 nan 8.270 nan 0.000 0.555 207 R N 2.320 122.841 120.500 0.034 0.000 2.489 207 R HA 0.051 4.391 4.340 0.001 0.000 0.287 207 R C -0.383 175.940 176.300 0.039 0.000 1.053 207 R CA -0.077 56.044 56.100 0.036 0.000 1.036 207 R CB 0.544 30.870 30.300 0.043 0.000 0.966 207 R HN 0.571 nan 8.270 nan 0.000 0.432 208 R N 2.642 123.163 120.500 0.035 0.000 2.349 208 R HA 0.407 4.747 4.340 0.001 0.000 0.299 208 R C -0.401 175.918 176.300 0.031 0.000 1.027 208 R CA -0.134 55.990 56.100 0.041 0.000 0.958 208 R CB 1.049 31.378 30.300 0.049 0.000 1.047 208 R HN 0.865 nan 8.270 nan 0.000 0.468 209 G N 1.564 110.386 108.800 0.037 0.000 2.552 209 G HA2 0.530 4.491 3.960 0.001 0.000 0.318 209 G HA3 0.530 4.491 3.960 0.001 0.000 0.318 209 G C -0.801 174.110 174.900 0.019 0.000 1.240 209 G CA -0.599 44.523 45.100 0.036 0.000 1.002 209 G HN 0.825 nan 8.290 nan 0.000 0.493 210 A N -0.009 122.821 122.820 0.017 0.000 2.547 210 A HA 0.264 4.584 4.320 0.001 0.000 0.233 210 A C 1.773 179.342 177.584 -0.024 0.000 1.067 210 A CA 0.130 52.156 52.037 -0.018 0.000 0.763 210 A CB 0.278 19.265 19.000 -0.022 0.000 1.007 210 A HN 0.590 nan 8.150 nan 0.000 0.506 211 K N 1.941 122.298 120.400 -0.072 0.000 2.015 211 K HA -0.193 4.128 4.320 0.001 0.000 0.216 211 K C 1.617 178.183 176.600 -0.058 0.000 1.052 211 K CA 2.153 58.392 56.287 -0.080 0.000 0.937 211 K CB -0.855 31.566 32.500 -0.131 0.000 0.719 211 K HN 0.845 nan 8.250 nan 0.000 0.446 212 G N 0.136 108.872 108.800 -0.105 0.000 3.448 212 G HA2 0.399 4.359 3.960 0.001 0.000 0.261 212 G HA3 0.399 4.359 3.960 0.001 0.000 0.261 212 G C 0.088 175.132 174.900 0.239 0.000 1.173 212 G CA 0.302 45.402 45.100 0.001 0.000 0.835 212 G HN 0.533 nan 8.290 nan 0.000 0.534 213 G N -1.477 107.427 108.800 0.173 0.000 2.719 213 G HA2 0.408 4.369 3.960 0.001 0.000 0.686 213 G HA3 0.408 4.369 3.960 0.001 0.000 0.686 213 G C 0.088 175.128 174.900 0.232 0.000 1.201 213 G CA -0.380 44.828 45.100 0.179 0.000 0.768 213 G HN 1.065 nan 8.290 nan 0.000 0.629 214 G N 0.670 109.573 108.800 0.172 0.000 2.547 214 G HA2 0.753 4.714 3.960 0.001 0.000 0.327 214 G HA3 0.753 4.714 3.960 0.001 0.000 0.327 214 G C 0.718 175.750 174.900 0.221 0.000 1.118 214 G CA 0.760 45.988 45.100 0.213 0.000 1.022 214 G HN 1.576 nan 8.290 nan 0.000 0.464 215 G N 2.139 111.094 108.800 0.258 0.000 2.554 215 G HA2 0.199 4.160 3.960 0.001 0.000 0.238 215 G HA3 0.199 4.160 3.960 0.001 0.000 0.238 215 G C 1.115 176.008 174.900 -0.012 0.000 1.259 215 G CA -0.365 44.764 45.100 0.049 0.000 0.843 215 G HN 0.809 nan 8.290 nan 0.000 0.582 216 W N 2.331 123.628 121.300 -0.005 0.000 2.424 216 W HA -0.095 4.565 4.660 0.001 0.000 0.264 216 W C 1.031 177.510 176.519 -0.065 0.000 1.229 216 W CA 0.172 57.510 57.345 -0.011 0.000 1.208 216 W CB -0.716 28.731 29.460 -0.022 0.000 1.127 216 W HN 0.332 nan 8.180 nan 0.000 0.588 217 I N 1.130 121.032 120.570 -1.113 0.000 2.133 217 I HA -0.223 3.948 4.170 0.001 0.000 0.238 217 I C 2.442 178.220 176.117 -0.566 0.000 1.074 217 I CA 1.675 62.284 61.300 -1.151 0.000 1.342 217 I CB -1.533 35.594 38.000 -1.454 0.000 1.053 217 I HN -0.265 nan 8.210 nan 0.000 0.404 218 F N 0.787 120.624 119.950 -0.189 0.000 2.161 218 F HA -0.207 4.320 4.527 0.001 0.000 0.300 218 F C 2.298 178.105 175.800 0.013 0.000 1.089 218 F CA 1.585 59.553 58.000 -0.053 0.000 1.282 218 F CB -1.232 37.762 39.000 -0.011 0.000 1.010 218 F HN 0.130 nan 8.300 nan 0.000 0.485 219 D N 0.114 120.626 120.400 0.186 0.000 2.087 219 D HA -0.193 4.447 4.640 0.001 0.000 0.192 219 D C 2.320 178.706 176.300 0.142 0.000 0.993 219 D CA 1.659 55.761 54.000 0.170 0.000 0.828 219 D CB -0.271 40.634 40.800 0.175 0.000 0.968 219 D HN 0.134 nan 8.370 nan 0.000 0.448 220 A N 0.129 123.021 122.820 0.121 0.000 1.865 220 A HA -0.164 4.157 4.320 0.001 0.000 0.217 220 A C 2.126 179.771 177.584 0.101 0.000 1.191 220 A CA 1.502 53.611 52.037 0.121 0.000 0.623 220 A CB -1.112 17.974 19.000 0.143 0.000 0.826 220 A HN 0.384 nan 8.150 nan 0.000 0.444 221 L N 0.464 121.727 121.223 0.067 0.000 2.089 221 L HA -0.234 4.107 4.340 0.001 0.000 0.213 221 L C 1.854 178.808 176.870 0.140 0.000 1.079 221 L CA 2.860 57.751 54.840 0.084 0.000 0.758 221 L CB -0.998 41.104 42.059 0.073 0.000 0.891 221 L HN 0.549 nan 8.230 nan 0.000 0.433 222 D N -1.000 119.507 120.400 0.178 0.000 2.084 222 D HA -0.189 4.451 4.640 0.001 0.000 0.194 222 D C 2.256 178.740 176.300 0.308 0.000 0.990 222 D CA 1.468 55.614 54.000 0.244 0.000 0.826 222 D CB 0.005 40.954 40.800 0.249 0.000 0.971 222 D HN 0.354 nan 8.370 nan 0.000 0.453 223 R N 0.469 121.093 120.500 0.207 0.000 2.105 223 R HA -0.087 4.254 4.340 0.001 0.000 0.239 223 R C 2.373 178.784 176.300 0.186 0.000 1.135 223 R CA 1.157 57.357 56.100 0.166 0.000 0.967 223 R CB -0.491 29.872 30.300 0.105 0.000 0.861 223 R HN 0.156 nan 8.270 nan 0.000 0.442 224 A N 1.989 124.905 122.820 0.159 0.000 1.841 224 A HA -0.162 4.158 4.320 0.001 0.000 0.216 224 A C 2.280 179.972 177.584 0.179 0.000 1.199 224 A CA 1.353 53.474 52.037 0.139 0.000 0.621 224 A CB -0.783 18.280 19.000 0.105 0.000 0.835 224 A HN 0.194 nan 8.150 nan 0.000 0.445 225 L N -1.573 119.756 121.223 0.177 0.000 2.081 225 L HA -0.266 4.074 4.340 0.001 0.000 0.212 225 L C 2.567 179.490 176.870 0.089 0.000 1.080 225 L CA 1.848 56.778 54.840 0.150 0.000 0.754 225 L CB -0.699 41.402 42.059 0.070 0.000 0.893 225 L HN 0.517 nan 8.230 nan 0.000 0.433 226 H N -0.985 118.140 119.070 0.091 0.000 2.457 226 H HA -0.073 4.484 4.556 0.001 0.000 0.294 226 H C 2.159 177.532 175.328 0.075 0.000 1.064 226 H CA 1.225 57.314 56.048 0.067 0.000 1.330 226 H CB -0.191 29.615 29.762 0.073 0.000 1.395 226 H HN 0.314 nan 8.280 nan 0.000 0.541 227 G N -0.407 108.524 108.800 0.218 0.000 2.404 227 G HA2 -0.304 3.656 3.960 0.001 0.000 0.214 227 G HA3 -0.304 3.656 3.960 0.001 0.000 0.214 227 G C 1.510 176.535 174.900 0.208 0.000 1.189 227 G CA 0.609 45.814 45.100 0.175 0.000 0.789 227 G HN 0.410 nan 8.290 nan 0.000 0.533 228 Y N 1.548 121.894 120.300 0.076 0.000 2.193 228 Y HA -0.204 4.347 4.550 0.001 0.000 0.285 228 Y C 2.751 178.750 175.900 0.166 0.000 1.166 228 Y CA 1.905 60.062 58.100 0.096 0.000 1.181 228 Y CB -0.633 37.877 38.460 0.083 0.000 0.976 228 Y HN 0.307 nan 8.280 nan 0.000 0.520 229 Q N 0.869 120.668 119.800 -0.002 0.000 2.234 229 Q HA -0.163 4.177 4.340 0.001 0.000 0.206 229 Q C 1.820 177.832 176.000 0.019 0.000 0.980 229 Q CA 1.907 57.602 55.803 -0.181 0.000 0.869 229 Q CB -0.215 28.401 28.738 -0.204 0.000 0.912 229 Q HN 0.493 nan 8.270 nan 0.000 0.436 230 K N -0.611 119.841 120.400 0.087 0.000 2.418 230 K HA 0.079 4.400 4.320 0.001 0.000 0.195 230 K C 0.283 176.930 176.600 0.078 0.000 1.035 230 K CA -0.112 56.222 56.287 0.078 0.000 1.003 230 K CB 0.097 32.639 32.500 0.070 0.000 0.793 230 K HN 0.230 nan 8.250 nan 0.000 0.494 231 L N 0.370 121.654 121.223 0.102 0.000 2.473 231 L HA -0.062 4.278 4.340 0.001 0.000 0.265 231 L C 1.749 178.509 176.870 -0.182 0.000 1.243 231 L CA 0.114 54.929 54.840 -0.040 0.000 0.822 231 L CB 0.525 42.557 42.059 -0.045 0.000 1.101 231 L HN 0.048 nan 8.230 nan 0.000 0.507 232 S N 0.176 115.762 115.700 -0.190 0.000 2.503 232 S HA 0.082 4.553 4.470 0.001 0.000 0.217 232 S C -0.035 174.407 174.600 -0.264 0.000 0.999 232 S CA -0.083 58.018 58.200 -0.165 0.000 0.914 232 S CB 0.070 63.215 63.200 -0.091 0.000 0.782 232 S HN 0.415 nan 8.310 nan 0.000 0.520 233 V N 0.728 120.390 119.914 -0.419 0.000 2.569 233 V HA 0.632 4.753 4.120 0.001 0.000 0.301 233 V C -1.740 174.075 176.094 -0.464 0.000 1.044 233 V CA -0.920 61.166 62.300 -0.357 0.000 0.874 233 V CB 0.973 32.695 31.823 -0.169 0.000 1.002 233 V HN 0.316 nan 8.190 nan 0.000 0.424 234 H N 5.647 124.708 119.070 -0.014 0.000 2.645 234 H HA 0.528 5.084 4.556 0.001 0.000 0.257 234 H C -2.636 172.705 175.328 0.022 0.000 1.269 234 H CA -1.783 54.291 56.048 0.043 0.000 1.409 234 H CB 1.257 30.904 29.762 -0.192 0.000 1.434 234 H HN 0.613 nan 8.280 nan 0.000 0.505 235 P HA -0.122 nan 4.420 nan 0.000 0.261 235 P C -0.189 176.984 177.300 -0.211 0.000 1.183 235 P CA 0.322 63.237 63.100 -0.307 0.000 0.761 235 P CB 0.428 31.770 31.700 -0.596 0.000 0.785 236 F N 0.090 120.116 119.950 0.127 0.000 2.656 236 F HA -0.234 4.294 4.527 0.001 0.000 0.381 236 F C 1.917 177.863 175.800 0.243 0.000 0.603 236 F CA 1.045 59.148 58.000 0.171 0.000 1.335 236 F CB -2.228 36.849 39.000 0.128 0.000 1.836 236 F HN 0.356 nan 8.300 nan 0.000 0.290 237 R N 1.347 122.033 120.500 0.310 0.000 2.081 237 R HA -0.123 4.218 4.340 0.001 0.000 0.235 237 R C 2.282 178.651 176.300 0.116 0.000 1.131 237 R CA 1.916 58.122 56.100 0.178 0.000 0.960 237 R CB -0.307 30.032 30.300 0.066 0.000 0.856 237 R HN 0.446 nan 8.270 nan 0.000 0.436 238 R N 0.136 120.711 120.500 0.126 0.000 2.119 238 R HA -0.204 4.137 4.340 0.001 0.000 0.246 238 R C 2.000 178.358 176.300 0.098 0.000 1.146 238 R CA 2.019 58.171 56.100 0.087 0.000 0.962 238 R CB -0.456 29.903 30.300 0.098 0.000 0.863 238 R HN 0.371 nan 8.270 nan 0.000 0.442 239 A N 0.407 123.338 122.820 0.185 0.000 1.897 239 A HA 0.026 4.347 4.320 0.001 0.000 0.215 239 A C 2.390 180.023 177.584 0.082 0.000 1.181 239 A CA 1.334 53.482 52.037 0.185 0.000 0.620 239 A CB -0.739 18.439 19.000 0.298 0.000 0.821 239 A HN 0.560 nan 8.150 nan 0.000 0.443 240 A N 0.140 122.974 122.820 0.024 0.000 1.940 240 A HA -0.204 4.116 4.320 0.001 0.000 0.219 240 A C 1.910 179.345 177.584 -0.248 0.000 1.176 240 A CA 1.727 53.530 52.037 -0.389 0.000 0.631 240 A CB -0.515 18.261 19.000 -0.373 0.000 0.814 240 A HN 0.664 nan 8.150 nan 0.000 0.446 241 E N -0.288 119.837 120.200 -0.125 0.000 2.028 241 E HA -0.140 4.211 4.350 0.001 0.000 0.191 241 E C 1.915 178.472 176.600 -0.072 0.000 0.988 241 E CA 1.274 57.609 56.400 -0.109 0.000 0.799 241 E CB -0.349 29.304 29.700 -0.078 0.000 0.755 241 E HN 0.684 nan 8.360 nan 0.000 0.447 242 I N 1.071 121.622 120.570 -0.031 0.000 2.335 242 I HA -0.264 3.906 4.170 0.001 0.000 0.251 242 I C 2.503 178.621 176.117 0.001 0.000 1.129 242 I CA 0.725 62.025 61.300 -0.001 0.000 1.402 242 I CB -0.221 37.795 38.000 0.026 0.000 1.069 242 I HN 0.045 nan 8.210 nan 0.000 0.424 243 R N 0.942 121.421 120.500 -0.036 0.000 2.070 243 R HA -0.112 4.229 4.340 0.001 0.000 0.233 243 R C 2.403 178.701 176.300 -0.002 0.000 1.137 243 R CA 1.717 57.797 56.100 -0.033 0.000 0.945 243 R CB -1.063 29.146 30.300 -0.152 0.000 0.845 243 R HN 0.381 nan 8.270 nan 0.000 0.430 244 A N 1.518 124.290 122.820 -0.079 0.000 1.865 244 A HA -0.180 4.140 4.320 0.001 0.000 0.217 244 A C 2.223 179.847 177.584 0.067 0.000 1.191 244 A CA 1.506 53.506 52.037 -0.062 0.000 0.623 244 A CB -0.776 18.127 19.000 -0.162 0.000 0.826 244 A HN 0.250 nan 8.150 nan 0.000 0.444 245 L N 0.352 121.589 121.223 0.024 0.000 1.990 245 L HA -0.235 4.106 4.340 0.001 0.000 0.213 245 L C 1.654 178.586 176.870 0.102 0.000 1.072 245 L CA 2.875 57.743 54.840 0.046 0.000 0.755 245 L CB -0.981 41.086 42.059 0.014 0.000 0.889 245 L HN 0.381 nan 8.230 nan 0.000 0.432 246 D N -1.449 119.009 120.400 0.097 0.000 2.149 246 D HA -0.250 4.391 4.640 0.001 0.000 0.198 246 D C 1.777 178.157 176.300 0.135 0.000 0.990 246 D CA 1.494 55.553 54.000 0.098 0.000 0.839 246 D CB -0.473 40.374 40.800 0.078 0.000 0.948 246 D HN 0.623 nan 8.370 nan 0.000 0.460 247 W N 1.044 122.343 121.300 -0.003 0.000 2.363 247 W HA -0.081 4.579 4.660 0.001 0.000 0.296 247 W C 1.952 178.512 176.519 0.069 0.000 1.212 247 W CA 1.042 58.390 57.345 0.005 0.000 1.260 247 W CB -0.225 29.214 29.460 -0.035 0.000 1.131 247 W HN -0.062 nan 8.180 nan 0.000 0.530 248 L N -0.261 121.201 121.223 0.399 0.000 2.044 248 L HA -0.214 4.126 4.340 0.001 0.000 0.205 248 L C 2.482 179.608 176.870 0.426 0.000 1.075 248 L CA 1.079 56.170 54.840 0.418 0.000 0.747 248 L CB -0.970 41.229 42.059 0.232 0.000 0.903 248 L HN 0.012 nan 8.230 nan 0.000 0.435 249 L N -0.425 120.948 121.223 0.251 0.000 2.083 249 L HA -0.233 4.108 4.340 0.001 0.000 0.209 249 L C 2.488 179.409 176.870 0.085 0.000 1.083 249 L CA 1.357 56.312 54.840 0.192 0.000 0.752 249 L CB -0.418 41.708 42.059 0.112 0.000 0.899 249 L HN 0.305 nan 8.230 nan 0.000 0.433 250 E N -0.226 119.961 120.200 -0.021 0.000 2.106 250 E HA -0.184 4.166 4.350 0.001 0.000 0.192 250 E C 2.110 178.580 176.600 -0.216 0.000 0.984 250 E CA 0.903 57.216 56.400 -0.146 0.000 0.806 250 E CB 0.050 29.589 29.700 -0.269 0.000 0.750 250 E HN 0.388 nan 8.360 nan 0.000 0.458 251 R N 0.750 121.106 120.500 -0.240 0.000 2.317 251 R HA 0.062 4.403 4.340 0.001 0.000 0.208 251 R C 0.553 176.869 176.300 0.026 0.000 0.914 251 R CA -0.168 55.832 56.100 -0.166 0.000 1.060 251 R CB 0.143 30.222 30.300 -0.369 0.000 1.015 251 R HN 0.127 nan 8.270 nan 0.000 0.498 252 Q N 1.283 120.970 119.800 -0.188 0.000 2.304 252 Q HA 0.017 4.358 4.340 0.001 0.000 0.315 252 Q C -0.545 175.160 176.000 -0.492 0.000 1.075 252 Q CA -0.104 55.214 55.803 -0.809 0.000 0.988 252 Q CB 0.692 28.944 28.738 -0.810 0.000 1.146 252 Q HN 0.228 nan 8.270 nan 0.000 0.383 253 A N 3.427 125.893 122.820 -0.591 0.000 2.296 253 A HA 0.413 4.733 4.320 0.001 0.000 0.264 253 A C 1.151 178.529 177.584 -0.342 0.000 1.097 253 A CA 0.087 51.904 52.037 -0.367 0.000 0.811 253 A CB 0.239 19.062 19.000 -0.295 0.000 1.072 253 A HN 1.039 nan 8.150 nan 0.000 0.495 254 G N 0.098 108.748 108.800 -0.251 0.000 2.440 254 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 254 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 254 G C 0.692 175.495 174.900 -0.162 0.000 1.154 254 G CA 1.399 46.384 45.100 -0.192 0.000 0.767 254 G HN 0.890 nan 8.290 nan 0.000 0.552 255 D N -0.684 119.625 120.400 -0.151 0.000 2.378 255 D HA 0.249 4.889 4.640 0.001 0.000 0.227 255 D C 1.747 177.958 176.300 -0.148 0.000 1.012 255 D CA 0.920 54.871 54.000 -0.082 0.000 0.905 255 D CB -0.472 40.349 40.800 0.036 0.000 0.895 255 D HN 0.550 nan 8.370 nan 0.000 0.532 256 G N -0.383 108.233 108.800 -0.307 0.000 2.195 256 G HA2 -0.306 3.654 3.960 0.001 0.000 0.246 256 G HA3 -0.306 3.654 3.960 0.001 0.000 0.246 256 G C 0.615 175.043 174.900 -0.786 0.000 0.984 256 G CA 0.496 45.372 45.100 -0.374 0.000 0.633 256 G HN 0.816 nan 8.290 nan 0.000 0.525 257 S N -0.922 114.080 115.700 -1.163 0.000 2.598 257 S HA 0.652 5.122 4.470 0.001 0.000 0.267 257 S C -0.042 173.979 174.600 -0.965 0.000 1.189 257 S CA -0.178 56.868 58.200 -1.924 0.000 1.010 257 S CB 1.012 63.135 63.200 -1.794 0.000 1.084 257 S HN 0.670 nan 8.310 nan 0.000 0.541 258 W N -0.032 120.977 121.300 -0.485 0.000 2.563 258 W HA 0.470 5.130 4.660 0.001 0.000 0.301 258 W C 0.689 177.204 176.519 -0.007 0.000 1.006 258 W CA -0.079 57.212 57.345 -0.090 0.000 1.382 258 W CB 0.962 30.454 29.460 0.054 0.000 1.262 258 W HN 1.314 nan 8.180 nan 0.000 0.403 259 G N 1.257 110.147 108.800 0.149 0.000 2.179 259 G HA2 -0.237 3.723 3.960 0.001 0.000 0.260 259 G HA3 -0.237 3.723 3.960 0.001 0.000 0.260 259 G C 1.012 175.993 174.900 0.135 0.000 0.977 259 G CA 0.473 45.623 45.100 0.084 0.000 0.641 259 G HN 1.577 nan 8.290 nan 0.000 0.533 260 G N -0.456 108.410 108.800 0.110 0.000 2.179 260 G HA2 -0.069 3.891 3.960 0.001 0.000 0.257 260 G HA3 -0.069 3.891 3.960 0.001 0.000 0.257 260 G C 0.413 175.524 174.900 0.352 0.000 1.010 260 G CA 1.177 46.416 45.100 0.232 0.000 0.736 260 G HN 2.272 nan 8.290 nan 0.000 0.513 261 I N -4.646 116.108 120.570 0.307 0.000 2.689 261 I HA 0.597 4.767 4.170 0.001 0.000 0.299 261 I C 1.110 177.434 176.117 0.345 0.000 1.059 261 I CA -1.166 60.317 61.300 0.306 0.000 1.055 261 I CB 1.696 39.824 38.000 0.213 0.000 1.243 261 I HN -0.037 nan 8.210 nan 0.000 0.425 262 Q N 3.987 123.932 119.800 0.242 0.000 2.014 262 Q HA -0.112 4.229 4.340 0.001 0.000 0.207 262 Q C -0.996 174.882 176.000 -0.203 0.000 0.993 262 Q CA 2.752 58.564 55.803 0.015 0.000 0.850 262 Q CB -1.328 27.267 28.738 -0.237 0.000 0.916 262 Q HN 0.700 nan 8.270 nan 0.000 0.417 263 P HA -0.173 nan 4.420 nan 0.000 0.206 263 P C -1.551 175.656 177.300 -0.154 0.000 1.142 263 P CA 2.704 65.622 63.100 -0.303 0.000 0.946 263 P CB -1.388 30.284 31.700 -0.046 0.000 0.777 264 P HA -0.229 nan 4.420 nan 0.000 0.216 264 P C 1.548 178.999 177.300 0.251 0.000 1.150 264 P CA 1.577 64.834 63.100 0.262 0.000 0.843 264 P CB -0.610 31.254 31.700 0.273 0.000 0.787 265 W N 0.833 122.239 121.300 0.176 0.000 2.317 265 W HA -0.202 4.459 4.660 0.001 0.000 0.318 265 W C 2.072 178.704 176.519 0.187 0.000 1.227 265 W CA 1.084 58.619 57.345 0.316 0.000 1.269 265 W CB -1.645 28.037 29.460 0.370 0.000 1.155 265 W HN -0.155 nan 8.180 nan 0.000 0.484 266 F N -0.532 119.385 119.950 -0.055 0.000 2.102 266 F HA -0.203 4.324 4.527 0.001 0.000 0.298 266 F C 2.337 178.014 175.800 -0.204 0.000 1.105 266 F CA 1.748 59.595 58.000 -0.256 0.000 1.239 266 F CB -1.683 37.088 39.000 -0.382 0.000 0.991 266 F HN -0.170 nan 8.300 nan 0.000 0.474 267 Y N -0.049 120.353 120.300 0.170 0.000 2.181 267 Y HA -0.139 4.412 4.550 0.001 0.000 0.288 267 Y C 2.546 178.377 175.900 -0.115 0.000 1.146 267 Y CA 0.591 58.683 58.100 -0.014 0.000 1.164 267 Y CB -1.605 36.839 38.460 -0.027 0.000 0.982 267 Y HN 0.026 nan 8.280 nan 0.000 0.515 268 A N 0.176 122.939 122.820 -0.096 0.000 1.883 268 A HA -0.174 4.147 4.320 0.001 0.000 0.217 268 A C 2.369 179.771 177.584 -0.304 0.000 1.186 268 A CA 1.675 53.449 52.037 -0.440 0.000 0.624 268 A CB -1.186 17.044 19.000 -1.283 0.000 0.822 268 A HN 0.470 nan 8.150 nan 0.000 0.444 269 L N -0.611 120.507 121.223 -0.175 0.000 2.042 269 L HA -0.203 4.138 4.340 0.001 0.000 0.210 269 L C 2.492 179.329 176.870 -0.054 0.000 1.076 269 L CA 1.354 56.117 54.840 -0.130 0.000 0.749 269 L CB -0.409 41.560 42.059 -0.150 0.000 0.893 269 L HN 0.424 nan 8.230 nan 0.000 0.432 270 I N -0.603 119.945 120.570 -0.037 0.000 2.252 270 I HA -0.268 3.902 4.170 0.001 0.000 0.245 270 I C 2.754 178.888 176.117 0.029 0.000 1.102 270 I CA 1.081 62.374 61.300 -0.012 0.000 1.385 270 I CB -0.478 37.522 38.000 -0.000 0.000 1.064 270 I HN 0.198 nan 8.210 nan 0.000 0.414 271 A N 1.038 123.861 122.820 0.004 0.000 1.933 271 A HA -0.157 4.164 4.320 0.001 0.000 0.218 271 A C 2.285 179.883 177.584 0.022 0.000 1.175 271 A CA 1.449 53.482 52.037 -0.007 0.000 0.628 271 A CB -0.806 18.157 19.000 -0.062 0.000 0.814 271 A HN 0.392 nan 8.150 nan 0.000 0.444 272 L N -0.899 120.357 121.223 0.055 0.000 2.093 272 L HA -0.154 4.187 4.340 0.001 0.000 0.208 272 L C 2.543 179.517 176.870 0.174 0.000 1.085 272 L CA 1.589 56.514 54.840 0.140 0.000 0.755 272 L CB -0.381 41.848 42.059 0.283 0.000 0.904 272 L HN 0.323 nan 8.230 nan 0.000 0.435 273 K N 1.093 121.619 120.400 0.210 0.000 2.026 273 K HA -0.170 4.151 4.320 0.001 0.000 0.208 273 K C 1.888 178.545 176.600 0.094 0.000 1.048 273 K CA 1.672 58.042 56.287 0.140 0.000 0.929 273 K CB -0.339 32.218 32.500 0.095 0.000 0.713 273 K HN 0.050 nan 8.250 nan 0.000 0.439 274 I N 0.935 121.570 120.570 0.108 0.000 2.335 274 I HA -0.209 3.961 4.170 0.001 0.000 0.251 274 I C 1.510 177.654 176.117 0.046 0.000 1.129 274 I CA 1.199 62.560 61.300 0.103 0.000 1.402 274 I CB -0.777 37.263 38.000 0.067 0.000 1.069 274 I HN 0.157 nan 8.210 nan 0.000 0.424 275 L N 0.673 121.916 121.223 0.033 0.000 2.737 275 L HA 0.097 4.438 4.340 0.001 0.000 0.236 275 L C 0.024 176.903 176.870 0.014 0.000 1.219 275 L CA -0.076 54.773 54.840 0.015 0.000 1.021 275 L CB -0.552 41.513 42.059 0.009 0.000 1.291 275 L HN 0.195 nan 8.230 nan 0.000 0.470 276 D N 0.910 121.316 120.400 0.009 0.000 2.701 276 D HA -0.234 4.407 4.640 0.001 0.000 0.235 276 D C 0.622 176.907 176.300 -0.024 0.000 1.155 276 D CA 1.150 55.139 54.000 -0.017 0.000 0.649 276 D CB -0.424 40.369 40.800 -0.011 0.000 1.050 276 D HN 0.439 nan 8.370 nan 0.000 0.425 277 M N -0.577 119.012 119.600 -0.019 0.000 2.778 277 M HA 0.020 4.501 4.480 0.001 0.000 0.359 277 M C 1.800 178.039 176.300 -0.101 0.000 1.216 277 M CA -0.038 55.273 55.300 0.017 0.000 0.935 277 M CB 0.468 33.112 32.600 0.074 0.000 1.330 277 M HN 0.004 nan 8.290 nan 0.000 0.516 278 T N -1.619 112.707 114.554 -0.380 0.000 2.833 278 T HA -0.197 4.153 4.350 0.001 0.000 0.269 278 T C 1.134 175.457 174.700 -0.629 0.000 1.054 278 T CA 1.044 62.529 62.100 -1.025 0.000 1.135 278 T CB -0.316 68.056 68.868 -0.827 0.000 0.869 278 T HN 0.646 nan 8.240 nan 0.000 0.466 279 Q N 0.922 120.583 119.800 -0.231 0.000 2.465 279 Q HA 0.301 4.642 4.340 0.001 0.000 0.361 279 Q C -0.254 175.772 176.000 0.044 0.000 0.957 279 Q CA -0.599 55.156 55.803 -0.080 0.000 1.065 279 Q CB 0.030 28.725 28.738 -0.072 0.000 1.274 279 Q HN 0.551 nan 8.270 nan 0.000 0.421 280 H N 0.593 119.686 119.070 0.038 0.000 2.499 280 H HA 0.249 4.805 4.556 0.001 0.000 0.340 280 H C -2.117 173.309 175.328 0.164 0.000 1.148 280 H CA -2.018 54.090 56.048 0.101 0.000 1.215 280 H CB 2.116 31.953 29.762 0.126 0.000 1.529 280 H HN -0.111 nan 8.280 nan 0.000 0.510 281 P HA -0.206 nan 4.420 nan 0.000 0.215 281 P C 1.186 178.712 177.300 0.377 0.000 1.163 281 P CA 2.777 65.960 63.100 0.138 0.000 0.894 281 P CB -0.106 31.577 31.700 -0.029 0.000 0.791 282 A N -1.420 121.780 122.820 0.634 0.000 1.917 282 A HA -0.253 4.068 4.320 0.001 0.000 0.219 282 A C 2.166 180.019 177.584 0.449 0.000 1.182 282 A CA 1.854 54.149 52.037 0.430 0.000 0.633 282 A CB -1.834 17.372 19.000 0.344 0.000 0.819 282 A HN 0.178 nan 8.150 nan 0.000 0.448 283 F N 0.919 121.084 119.950 0.358 0.000 2.084 283 F HA -0.152 4.376 4.527 0.001 0.000 0.296 283 F C 2.024 178.021 175.800 0.329 0.000 1.111 283 F CA 1.419 59.611 58.000 0.319 0.000 1.224 283 F CB -0.235 38.892 39.000 0.211 0.000 0.991 283 F HN 0.148 nan 8.300 nan 0.000 0.471 284 I N 0.711 121.696 120.570 0.692 0.000 2.118 284 I HA -0.318 3.853 4.170 0.001 0.000 0.241 284 I C 2.377 178.736 176.117 0.403 0.000 1.070 284 I CA 1.733 63.356 61.300 0.539 0.000 1.327 284 I CB -1.585 36.623 38.000 0.345 0.000 1.034 284 I HN 0.179 nan 8.210 nan 0.000 0.405 285 K N 1.443 122.021 120.400 0.296 0.000 2.026 285 K HA -0.098 4.222 4.320 0.001 0.000 0.208 285 K C 2.143 178.878 176.600 0.226 0.000 1.048 285 K CA 1.723 58.131 56.287 0.202 0.000 0.929 285 K CB -0.985 31.579 32.500 0.107 0.000 0.713 285 K HN 0.299 nan 8.250 nan 0.000 0.439 286 G N 0.452 109.407 108.800 0.260 0.000 2.442 286 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 286 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 286 G C 1.416 176.643 174.900 0.546 0.000 1.141 286 G CA 0.839 46.201 45.100 0.437 0.000 0.763 286 G HN 0.545 nan 8.290 nan 0.000 0.554 287 W N 1.384 122.757 121.300 0.121 0.000 2.378 287 W HA -0.031 4.630 4.660 0.001 0.000 0.313 287 W C 2.156 178.776 176.519 0.170 0.000 1.197 287 W CA 1.393 58.764 57.345 0.043 0.000 1.304 287 W CB -0.044 29.416 29.460 -0.000 0.000 1.148 287 W HN 0.373 nan 8.180 nan 0.000 0.494 288 E N -0.002 120.269 120.200 0.118 0.000 2.153 288 E HA -0.149 4.202 4.350 0.001 0.000 0.194 288 E C 2.369 179.019 176.600 0.083 0.000 0.988 288 E CA 1.182 57.596 56.400 0.023 0.000 0.811 288 E CB -0.762 29.033 29.700 0.158 0.000 0.746 288 E HN 0.373 nan 8.360 nan 0.000 0.466 289 G N 1.825 110.773 108.800 0.246 0.000 2.442 289 G HA2 -0.260 3.701 3.960 0.001 0.000 0.219 289 G HA3 -0.260 3.701 3.960 0.001 0.000 0.219 289 G C 1.594 176.841 174.900 0.579 0.000 1.141 289 G CA 0.542 45.890 45.100 0.413 0.000 0.763 289 G HN 0.099 nan 8.290 nan 0.000 0.554 290 L N 0.218 121.675 121.223 0.389 0.000 2.010 290 L HA -0.216 4.125 4.340 0.001 0.000 0.219 290 L C 2.957 179.990 176.870 0.272 0.000 1.077 290 L CA 1.639 56.559 54.840 0.133 0.000 0.773 290 L CB -0.468 41.466 42.059 -0.209 0.000 0.892 290 L HN 0.169 nan 8.230 nan 0.000 0.436 291 E N -0.106 120.189 120.200 0.158 0.000 2.169 291 E HA -0.287 4.063 4.350 0.001 0.000 0.202 291 E C 2.089 178.817 176.600 0.213 0.000 1.016 291 E CA 1.427 57.937 56.400 0.182 0.000 0.817 291 E CB -0.542 29.219 29.700 0.100 0.000 0.736 291 E HN 0.338 nan 8.360 nan 0.000 0.462 292 L N 0.042 121.431 121.223 0.278 0.000 2.127 292 L HA -0.190 4.151 4.340 0.001 0.000 0.211 292 L C 1.810 178.778 176.870 0.164 0.000 1.089 292 L CA 1.622 56.612 54.840 0.250 0.000 0.757 292 L CB -0.488 41.733 42.059 0.270 0.000 0.899 292 L HN 0.075 nan 8.230 nan 0.000 0.434 293 Y N -0.461 119.824 120.300 -0.024 0.000 2.511 293 Y HA 0.334 4.884 4.550 0.001 0.000 0.279 293 Y C 1.752 177.274 175.900 -0.630 0.000 1.157 293 Y CA -0.153 57.743 58.100 -0.339 0.000 1.300 293 Y CB -0.907 37.131 38.460 -0.704 0.000 1.052 293 Y HN 0.161 nan 8.280 nan 0.000 0.529 294 G N 0.120 108.747 108.800 -0.289 0.000 2.606 294 G HA2 0.448 4.408 3.960 0.001 0.000 0.252 294 G HA3 0.448 4.408 3.960 0.001 0.000 0.252 294 G C -1.129 173.460 174.900 -0.518 0.000 1.206 294 G CA -0.152 44.647 45.100 -0.501 0.000 0.861 294 G HN -0.079 nan 8.290 nan 0.000 0.561 295 V N 0.923 120.334 119.914 -0.838 0.000 2.655 295 V HA 0.232 4.353 4.120 0.001 0.000 0.301 295 V C -0.849 174.959 176.094 -0.475 0.000 1.082 295 V CA -1.040 60.931 62.300 -0.548 0.000 0.899 295 V CB 1.909 33.413 31.823 -0.530 0.000 1.014 295 V HN 0.710 nan 8.190 nan 0.000 0.429 296 E N 4.293 124.361 120.200 -0.219 0.000 2.217 296 E HA 0.358 4.709 4.350 0.001 0.000 0.279 296 E C -0.651 175.815 176.600 -0.223 0.000 1.068 296 E CA -0.055 56.274 56.400 -0.118 0.000 0.882 296 E CB 1.422 31.095 29.700 -0.044 0.000 1.039 296 E HN 0.491 nan 8.360 nan 0.000 0.418 297 L N 3.043 124.084 121.223 -0.302 0.000 2.292 297 L HA 0.073 4.414 4.340 0.001 0.000 0.284 297 L C 1.422 178.040 176.870 -0.419 0.000 1.065 297 L CA -0.470 54.089 54.840 -0.468 0.000 0.806 297 L CB 0.803 42.368 42.059 -0.823 0.000 1.175 297 L HN 0.458 nan 8.230 nan 0.000 0.431 298 D N 0.803 121.032 120.400 -0.285 0.000 2.228 298 D HA -0.312 4.329 4.640 0.001 0.000 0.203 298 D C 1.285 177.542 176.300 -0.072 0.000 0.988 298 D CA 1.431 55.350 54.000 -0.135 0.000 0.864 298 D CB -0.308 40.461 40.800 -0.051 0.000 0.928 298 D HN 0.633 nan 8.370 nan 0.000 0.469 299 Y N -1.784 118.502 120.300 -0.025 0.000 2.477 299 Y HA 0.506 5.056 4.550 0.001 0.000 0.303 299 Y C 1.689 177.601 175.900 0.020 0.000 1.202 299 Y CA -0.682 57.414 58.100 -0.006 0.000 1.282 299 Y CB -0.203 38.239 38.460 -0.029 0.000 1.071 299 Y HN 0.082 nan 8.280 nan 0.000 0.510 300 G N -0.821 107.958 108.800 -0.035 0.000 2.254 300 G HA2 -0.228 3.733 3.960 0.001 0.000 0.225 300 G HA3 -0.228 3.733 3.960 0.001 0.000 0.225 300 G C 0.817 175.727 174.900 0.016 0.000 1.003 300 G CA -0.254 44.869 45.100 0.037 0.000 0.622 300 G HN 0.955 nan 8.290 nan 0.000 0.507 301 G N -1.013 107.715 108.800 -0.121 0.000 2.616 301 G HA2 0.460 4.421 3.960 0.001 0.000 0.268 301 G HA3 0.460 4.421 3.960 0.001 0.000 0.268 301 G C -0.659 174.227 174.900 -0.023 0.000 1.213 301 G CA 0.056 45.171 45.100 0.025 0.000 0.926 301 G HN 1.004 nan 8.290 nan 0.000 0.523 302 W N 0.936 122.130 121.300 -0.176 0.000 3.129 302 W HA 0.630 5.291 4.660 0.001 0.000 0.333 302 W C -0.430 175.818 176.519 -0.453 0.000 1.141 302 W CA -1.102 56.079 57.345 -0.273 0.000 1.224 302 W CB 1.627 30.968 29.460 -0.199 0.000 1.393 302 W HN 0.693 nan 8.180 nan 0.000 0.499 303 M N 5.129 124.071 119.600 -1.096 0.000 2.644 303 M HA 0.690 5.171 4.480 0.001 0.000 0.304 303 M C -2.117 173.365 176.300 -1.363 0.000 1.215 303 M CA -0.830 53.745 55.300 -1.207 0.000 0.871 303 M CB 2.781 34.746 32.600 -1.059 0.000 1.740 303 M HN 0.421 nan 8.290 nan 0.000 0.464 304 F N 1.865 121.219 119.950 -0.994 0.000 2.467 304 F HA 0.472 5.000 4.527 0.001 0.000 0.336 304 F C -0.625 175.005 175.800 -0.283 0.000 1.123 304 F CA -0.313 57.283 58.000 -0.673 0.000 0.964 304 F CB 1.806 40.588 39.000 -0.363 0.000 1.136 304 F HN 0.704 nan 8.300 nan 0.000 0.447 305 Q N 4.801 124.383 119.800 -0.362 0.000 2.313 305 Q HA 0.336 4.677 4.340 0.001 0.000 0.266 305 Q C 0.980 177.123 176.000 0.238 0.000 0.989 305 Q CA 0.213 55.974 55.803 -0.069 0.000 0.890 305 Q CB 1.539 30.211 28.738 -0.110 0.000 1.200 305 Q HN 0.922 nan 8.270 nan 0.000 0.396 306 A N 2.574 125.555 122.820 0.268 0.000 1.978 306 A HA -0.100 4.221 4.320 0.001 0.000 0.220 306 A C 1.067 178.869 177.584 0.363 0.000 1.170 306 A CA 1.734 53.967 52.037 0.328 0.000 0.636 306 A CB 0.195 19.410 19.000 0.359 0.000 0.810 306 A HN 0.605 nan 8.150 nan 0.000 0.448 307 S N -2.572 113.340 115.700 0.354 0.000 2.703 307 S HA 0.621 5.091 4.470 0.001 0.000 0.273 307 S C -1.509 173.269 174.600 0.297 0.000 1.178 307 S CA -0.116 58.354 58.200 0.450 0.000 0.838 307 S CB 0.668 64.137 63.200 0.449 0.000 1.178 307 S HN 0.866 nan 8.310 nan 0.000 0.494 308 I N 0.481 121.146 120.570 0.159 0.000 2.619 308 I HA 0.654 4.825 4.170 0.001 0.000 0.292 308 I C -0.134 175.614 176.117 -0.616 0.000 1.100 308 I CA -0.703 60.535 61.300 -0.103 0.000 1.043 308 I CB 2.411 40.265 38.000 -0.244 0.000 1.239 308 I HN 0.564 nan 8.210 nan 0.000 0.420 309 S N 3.221 118.564 115.700 -0.596 0.000 2.562 309 S HA 0.392 4.863 4.470 0.001 0.000 0.246 309 S C -1.467 172.854 174.600 -0.465 0.000 1.056 309 S CA -0.991 56.592 58.200 -1.029 0.000 1.042 309 S CB -0.572 62.348 63.200 -0.466 0.000 0.822 309 S HN 0.678 nan 8.310 nan 0.000 0.465 310 P HA -0.179 nan 4.420 nan 0.000 0.214 310 P C 1.610 178.823 177.300 -0.146 0.000 1.169 310 P CA 1.166 63.883 63.100 -0.638 0.000 0.908 310 P CB -0.154 30.538 31.700 -1.679 0.000 0.791 311 V N -0.044 119.825 119.914 -0.074 0.000 2.231 311 V HA -0.239 3.882 4.120 0.001 0.000 0.248 311 V C 2.579 178.800 176.094 0.212 0.000 1.054 311 V CA 2.259 64.680 62.300 0.202 0.000 1.015 311 V CB -1.642 30.290 31.823 0.183 0.000 0.638 311 V HN 0.236 nan 8.190 nan 0.000 0.444 312 W N 1.050 122.363 121.300 0.021 0.000 2.317 312 W HA -0.242 4.418 4.660 0.001 0.000 0.318 312 W C 2.367 178.930 176.519 0.073 0.000 1.227 312 W CA 2.249 59.663 57.345 0.116 0.000 1.269 312 W CB -0.347 29.331 29.460 0.362 0.000 1.155 312 W HN 0.368 nan 8.180 nan 0.000 0.484 313 D N -0.222 120.283 120.400 0.175 0.000 2.106 313 D HA -0.189 4.452 4.640 0.001 0.000 0.191 313 D C 2.054 178.328 176.300 -0.043 0.000 0.997 313 D CA 2.622 56.668 54.000 0.076 0.000 0.834 313 D CB -0.817 40.127 40.800 0.240 0.000 0.956 313 D HN 0.129 nan 8.370 nan 0.000 0.448 314 T N 0.347 114.967 114.554 0.109 0.000 2.652 314 T HA -0.134 4.217 4.350 0.001 0.000 0.267 314 T C 1.985 176.644 174.700 -0.067 0.000 1.039 314 T CA 1.679 63.892 62.100 0.188 0.000 1.153 314 T CB -0.817 68.213 68.868 0.271 0.000 0.863 314 T HN 0.282 nan 8.240 nan 0.000 0.428 315 G N 1.553 110.267 108.800 -0.143 0.000 2.491 315 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 315 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 315 G C 1.501 176.073 174.900 -0.547 0.000 1.180 315 G CA 0.854 45.757 45.100 -0.328 0.000 0.774 315 G HN 0.463 nan 8.290 nan 0.000 0.562 316 L N 0.613 121.423 121.223 -0.689 0.000 2.056 316 L HA -0.023 4.317 4.340 0.001 0.000 0.207 316 L C 3.466 179.908 176.870 -0.712 0.000 1.078 316 L CA 0.883 55.244 54.840 -0.799 0.000 0.749 316 L CB -0.658 40.848 42.059 -0.922 0.000 0.901 316 L HN 0.317 nan 8.230 nan 0.000 0.433 317 A N 0.360 122.751 122.820 -0.715 0.000 1.869 317 A HA -0.232 4.089 4.320 0.001 0.000 0.218 317 A C 2.366 179.462 177.584 -0.813 0.000 1.203 317 A CA 2.462 53.903 52.037 -0.993 0.000 0.638 317 A CB -1.119 16.869 19.000 -1.687 0.000 0.831 317 A HN 0.178 nan 8.150 nan 0.000 0.450 318 V N 0.096 119.651 119.914 -0.599 0.000 2.219 318 V HA -0.334 3.787 4.120 0.001 0.000 0.248 318 V C 2.604 178.469 176.094 -0.382 0.000 1.053 318 V CA 2.279 64.356 62.300 -0.372 0.000 1.009 318 V CB -0.967 30.720 31.823 -0.226 0.000 0.636 318 V HN 0.601 nan 8.190 nan 0.000 0.445 319 L N -0.115 120.819 121.223 -0.483 0.000 2.051 319 L HA -0.267 4.073 4.340 0.001 0.000 0.214 319 L C 2.696 179.342 176.870 -0.374 0.000 1.076 319 L CA 1.818 56.358 54.840 -0.500 0.000 0.758 319 L CB -0.857 40.733 42.059 -0.783 0.000 0.890 319 L HN 0.420 nan 8.230 nan 0.000 0.433 320 A N 0.051 122.619 122.820 -0.420 0.000 1.855 320 A HA -0.159 4.162 4.320 0.001 0.000 0.215 320 A C 2.226 179.670 177.584 -0.234 0.000 1.191 320 A CA 1.408 53.249 52.037 -0.326 0.000 0.613 320 A CB -0.778 17.985 19.000 -0.396 0.000 0.829 320 A HN 0.354 nan 8.150 nan 0.000 0.442 321 L N -0.982 120.077 121.223 -0.273 0.000 2.127 321 L HA -0.207 4.134 4.340 0.001 0.000 0.211 321 L C 2.904 179.701 176.870 -0.122 0.000 1.089 321 L CA 0.991 55.718 54.840 -0.189 0.000 0.757 321 L CB -0.463 41.463 42.059 -0.223 0.000 0.899 321 L HN 0.316 nan 8.230 nan 0.000 0.434 322 R N 0.059 120.479 120.500 -0.134 0.000 2.051 322 R HA 0.003 4.343 4.340 0.001 0.000 0.225 322 R C 2.356 178.629 176.300 -0.044 0.000 1.155 322 R CA 1.410 57.466 56.100 -0.073 0.000 0.945 322 R CB -1.045 29.207 30.300 -0.079 0.000 0.840 322 R HN 0.282 nan 8.270 nan 0.000 0.432 323 A N 1.478 124.263 122.820 -0.058 0.000 2.032 323 A HA -0.159 4.162 4.320 0.001 0.000 0.221 323 A C 2.306 179.881 177.584 -0.014 0.000 1.165 323 A CA 1.972 53.995 52.037 -0.023 0.000 0.645 323 A CB -0.536 18.448 19.000 -0.028 0.000 0.807 323 A HN 0.406 nan 8.150 nan 0.000 0.453 324 A N -1.844 120.958 122.820 -0.030 0.000 1.825 324 A HA 0.316 4.637 4.320 0.001 0.000 0.214 324 A C 2.093 179.689 177.584 0.021 0.000 1.206 324 A CA 2.351 54.387 52.037 -0.002 0.000 0.609 324 A CB -0.774 18.218 19.000 -0.014 0.000 0.851 324 A HN 1.390 nan 8.150 nan 0.000 0.445 325 G N -2.769 106.042 108.800 0.017 0.000 4.103 325 G HA2 0.178 4.138 3.960 0.001 0.000 0.163 325 G HA3 0.178 4.138 3.960 0.001 0.000 0.163 325 G C 0.186 175.116 174.900 0.050 0.000 0.840 325 G CA -0.104 45.019 45.100 0.038 0.000 0.905 325 G HN 0.280 nan 8.290 nan 0.000 0.377 326 L N 2.336 123.588 121.223 0.049 0.000 2.605 326 L HA 0.128 4.468 4.340 0.001 0.000 0.296 326 L C -1.850 175.082 176.870 0.104 0.000 1.255 326 L CA -0.766 54.135 54.840 0.103 0.000 0.879 326 L CB 0.093 42.166 42.059 0.022 0.000 1.124 326 L HN 0.040 nan 8.230 nan 0.000 0.507 327 P HA -0.035 nan 4.420 nan 0.000 0.265 327 P C 0.108 177.471 177.300 0.105 0.000 1.193 327 P CA 0.048 63.211 63.100 0.105 0.000 0.765 327 P CB 0.747 32.499 31.700 0.087 0.000 0.823 328 A N 3.049 125.912 122.820 0.071 0.000 2.272 328 A HA -0.163 4.158 4.320 0.001 0.000 0.213 328 A C 1.045 178.674 177.584 0.075 0.000 1.183 328 A CA 1.881 53.956 52.037 0.064 0.000 0.719 328 A CB -1.085 17.947 19.000 0.053 0.000 0.771 328 A HN 0.699 nan 8.150 nan 0.000 0.484 329 D N -3.642 116.809 120.400 0.086 0.000 2.556 329 D HA 0.029 4.670 4.640 0.001 0.000 0.237 329 D C 0.405 176.766 176.300 0.102 0.000 1.296 329 D CA -0.557 53.491 54.000 0.080 0.000 0.807 329 D CB -0.633 40.197 40.800 0.050 0.000 1.084 329 D HN 0.306 nan 8.370 nan 0.000 0.510 330 H N 2.438 121.525 119.070 0.027 0.000 3.167 330 H HA -0.083 4.474 4.556 0.001 0.000 0.306 330 H C 1.119 176.463 175.328 0.026 0.000 0.965 330 H CA 1.301 57.365 56.048 0.026 0.000 1.408 330 H CB 0.847 30.627 29.762 0.030 0.000 1.406 330 H HN 0.357 nan 8.280 nan 0.000 0.576 331 D N 4.394 124.851 120.400 0.094 0.000 2.265 331 D HA -0.208 4.433 4.640 0.001 0.000 0.208 331 D C 1.683 178.105 176.300 0.204 0.000 0.977 331 D CA 0.753 54.823 54.000 0.117 0.000 0.871 331 D CB 0.098 40.908 40.800 0.016 0.000 0.925 331 D HN 0.327 nan 8.370 nan 0.000 0.485 332 R N 0.121 120.884 120.500 0.439 0.000 2.161 332 R HA 0.224 4.565 4.340 0.001 0.000 0.213 332 R C 2.385 178.730 176.300 0.075 0.000 1.055 332 R CA 0.363 56.561 56.100 0.163 0.000 0.996 332 R CB -0.403 29.942 30.300 0.074 0.000 0.901 332 R HN 0.254 nan 8.270 nan 0.000 0.456 333 L N -0.681 120.610 121.223 0.112 0.000 2.341 333 L HA -0.005 4.336 4.340 0.001 0.000 0.214 333 L C 1.820 178.756 176.870 0.110 0.000 1.115 333 L CA 0.341 55.242 54.840 0.102 0.000 0.820 333 L CB -0.132 41.970 42.059 0.071 0.000 0.944 333 L HN -0.028 nan 8.230 nan 0.000 0.452 334 V N -0.305 119.676 119.914 0.113 0.000 2.427 334 V HA -0.220 3.900 4.120 0.001 0.000 0.248 334 V C 2.559 178.711 176.094 0.096 0.000 1.051 334 V CA 1.353 63.712 62.300 0.098 0.000 1.048 334 V CB -0.497 31.377 31.823 0.085 0.000 0.666 334 V HN 0.358 nan 8.190 nan 0.000 0.456 335 K N 0.558 121.001 120.400 0.072 0.000 2.074 335 K HA -0.169 4.152 4.320 0.001 0.000 0.209 335 K C 2.272 178.935 176.600 0.104 0.000 1.048 335 K CA 1.779 58.097 56.287 0.052 0.000 0.926 335 K CB -0.734 31.746 32.500 -0.033 0.000 0.713 335 K HN 0.503 nan 8.250 nan 0.000 0.444 336 A N 0.793 123.673 122.820 0.100 0.000 1.854 336 A HA -0.030 4.291 4.320 0.001 0.000 0.214 336 A C 2.519 180.264 177.584 0.268 0.000 1.192 336 A CA 1.957 54.107 52.037 0.188 0.000 0.611 336 A CB -1.151 17.986 19.000 0.229 0.000 0.832 336 A HN 0.369 nan 8.150 nan 0.000 0.442 337 G N -0.220 108.689 108.800 0.182 0.000 2.476 337 G HA2 -0.260 3.700 3.960 0.001 0.000 0.218 337 G HA3 -0.260 3.700 3.960 0.001 0.000 0.218 337 G C 1.407 176.409 174.900 0.170 0.000 1.164 337 G CA 1.145 46.338 45.100 0.155 0.000 0.768 337 G HN 0.491 nan 8.290 nan 0.000 0.560 338 E N -0.209 120.091 120.200 0.167 0.000 2.058 338 E HA -0.166 4.185 4.350 0.001 0.000 0.194 338 E C 2.036 178.745 176.600 0.182 0.000 0.997 338 E CA 1.049 57.537 56.400 0.147 0.000 0.801 338 E CB -0.464 29.313 29.700 0.128 0.000 0.746 338 E HN 0.670 nan 8.360 nan 0.000 0.450 339 W N 1.855 123.191 121.300 0.061 0.000 2.317 339 W HA -0.193 4.467 4.660 0.001 0.000 0.318 339 W C 2.168 178.740 176.519 0.088 0.000 1.227 339 W CA 1.612 59.001 57.345 0.073 0.000 1.269 339 W CB -0.525 28.997 29.460 0.104 0.000 1.155 339 W HN -0.015 nan 8.180 nan 0.000 0.484 340 L N 0.052 121.456 121.223 0.302 0.000 2.042 340 L HA -0.292 4.048 4.340 0.001 0.000 0.210 340 L C 2.538 179.468 176.870 0.099 0.000 1.076 340 L CA 1.428 56.350 54.840 0.137 0.000 0.749 340 L CB -1.026 41.138 42.059 0.175 0.000 0.893 340 L HN 0.110 nan 8.230 nan 0.000 0.432 341 L N -0.528 120.756 121.223 0.102 0.000 2.042 341 L HA -0.257 4.083 4.340 0.001 0.000 0.210 341 L C 2.064 178.933 176.870 -0.003 0.000 1.076 341 L CA 1.218 56.119 54.840 0.102 0.000 0.749 341 L CB -0.683 41.424 42.059 0.080 0.000 0.893 341 L HN 0.321 nan 8.230 nan 0.000 0.432 342 D N -0.350 119.989 120.400 -0.101 0.000 2.351 342 D HA -0.120 4.521 4.640 0.001 0.000 0.216 342 D C 2.193 178.337 176.300 -0.259 0.000 0.968 342 D CA 0.633 54.524 54.000 -0.182 0.000 0.899 342 D CB -0.051 40.617 40.800 -0.221 0.000 0.907 342 D HN 0.232 nan 8.370 nan 0.000 0.514 343 R N 0.432 120.775 120.500 -0.261 0.000 2.173 343 R HA 0.043 4.384 4.340 0.001 0.000 0.208 343 R C 0.972 177.111 176.300 -0.267 0.000 1.035 343 R CA -0.055 55.888 56.100 -0.262 0.000 1.004 343 R CB -0.476 29.680 30.300 -0.241 0.000 0.917 343 R HN 0.337 nan 8.270 nan 0.000 0.462 344 Q N 1.597 121.182 119.800 -0.359 0.000 2.308 344 Q HA -0.075 4.266 4.340 0.001 0.000 0.313 344 Q C -0.455 175.206 176.000 -0.566 0.000 1.075 344 Q CA 0.290 55.559 55.803 -0.891 0.000 0.995 344 Q CB 0.441 28.780 28.738 -0.665 0.000 1.107 344 Q HN -0.009 nan 8.270 nan 0.000 0.380 345 I N 4.598 124.795 120.570 -0.621 0.000 2.416 345 I HA 0.016 4.186 4.170 0.001 0.000 0.288 345 I C 1.251 177.180 176.117 -0.313 0.000 1.051 345 I CA 0.364 61.432 61.300 -0.387 0.000 1.375 345 I CB 0.607 38.400 38.000 -0.346 0.000 1.407 345 I HN 0.814 nan 8.210 nan 0.000 0.516 346 T N 2.540 116.977 114.554 -0.195 0.000 3.182 346 T HA 0.341 4.691 4.350 0.001 0.000 0.277 346 T C 0.070 174.749 174.700 -0.035 0.000 1.013 346 T CA -0.319 61.713 62.100 -0.114 0.000 0.900 346 T CB -0.414 68.396 68.868 -0.098 0.000 1.098 346 T HN 0.413 nan 8.240 nan 0.000 0.543 347 V N -2.192 117.712 119.914 -0.017 0.000 2.960 347 V HA 0.824 4.945 4.120 0.001 0.000 0.315 347 V C -3.185 172.958 176.094 0.080 0.000 1.087 347 V CA -3.175 59.140 62.300 0.024 0.000 0.982 347 V CB 1.443 33.266 31.823 0.001 0.000 1.039 347 V HN -0.107 nan 8.190 nan 0.000 0.437 348 P HA 0.403 nan 4.420 nan 0.000 0.265 348 P C 0.127 177.239 177.300 -0.312 0.000 1.193 348 P CA 0.793 63.717 63.100 -0.294 0.000 0.765 348 P CB 0.582 32.095 31.700 -0.312 0.000 0.823 349 G N 1.118 109.440 108.800 -0.797 0.000 2.932 349 G HA2 0.176 4.137 3.960 0.001 0.000 0.283 349 G HA3 0.176 4.137 3.960 0.001 0.000 0.283 349 G C 0.272 174.772 174.900 -0.667 0.000 1.336 349 G CA -0.423 44.389 45.100 -0.480 0.000 1.056 349 G HN 0.252 nan 8.290 nan 0.000 0.522 350 D N -0.238 119.982 120.400 -0.300 0.000 2.311 350 D HA -0.102 4.539 4.640 0.001 0.000 0.212 350 D C 2.175 178.507 176.300 0.054 0.000 0.972 350 D CA 1.104 55.090 54.000 -0.023 0.000 0.887 350 D CB -0.016 40.968 40.800 0.307 0.000 0.915 350 D HN 0.635 nan 8.370 nan 0.000 0.497 351 W N 0.384 121.811 121.300 0.213 0.000 2.465 351 W HA 0.118 4.778 4.660 0.001 0.000 0.268 351 W C 1.681 178.292 176.519 0.153 0.000 1.242 351 W CA 0.613 58.100 57.345 0.237 0.000 1.248 351 W CB -0.945 28.738 29.460 0.371 0.000 1.118 351 W HN -0.078 nan 8.180 nan 0.000 0.587 352 A N 1.571 124.045 122.820 -0.577 0.000 2.070 352 A HA -0.044 4.277 4.320 0.001 0.000 0.220 352 A C 2.161 179.642 177.584 -0.171 0.000 1.159 352 A CA 1.820 53.581 52.037 -0.460 0.000 0.656 352 A CB -0.863 17.683 19.000 -0.757 0.000 0.800 352 A HN 0.129 nan 8.150 nan 0.000 0.453 353 V N -0.145 119.659 119.914 -0.184 0.000 2.688 353 V HA -0.179 3.942 4.120 0.001 0.000 0.256 353 V C 1.917 177.956 176.094 -0.092 0.000 1.084 353 V CA 2.009 64.182 62.300 -0.211 0.000 1.103 353 V CB -0.412 31.139 31.823 -0.454 0.000 0.688 353 V HN 0.464 nan 8.190 nan 0.000 0.480 354 K N -0.574 119.835 120.400 0.015 0.000 2.402 354 K HA 0.291 4.612 4.320 0.001 0.000 0.204 354 K C 0.343 176.999 176.600 0.094 0.000 1.056 354 K CA -0.035 56.284 56.287 0.053 0.000 1.069 354 K CB 0.916 33.466 32.500 0.084 0.000 0.888 354 K HN 0.208 nan 8.250 nan 0.000 0.546 355 R N 0.504 121.091 120.500 0.146 0.000 2.734 355 R HA 0.185 4.526 4.340 0.001 0.000 0.242 355 R C -2.466 173.954 176.300 0.200 0.000 1.617 355 R CA -1.173 55.048 56.100 0.202 0.000 1.572 355 R CB 1.012 31.508 30.300 0.326 0.000 1.477 355 R HN -0.131 nan 8.270 nan 0.000 0.707 356 P HA -0.031 nan 4.420 nan 0.000 0.218 356 P C 0.420 177.772 177.300 0.086 0.000 1.149 356 P CA 1.201 64.327 63.100 0.042 0.000 0.817 356 P CB 0.277 31.980 31.700 0.006 0.000 0.785 357 N N -1.165 117.600 118.700 0.108 0.000 2.322 357 N HA 0.063 4.804 4.740 0.001 0.000 0.194 357 N C -0.100 175.510 175.510 0.167 0.000 1.126 357 N CA -0.431 52.686 53.050 0.112 0.000 0.845 357 N CB 0.024 38.559 38.487 0.080 0.000 0.976 357 N HN 0.058 nan 8.380 nan 0.000 0.475 358 L N 2.027 123.405 121.223 0.259 0.000 2.290 358 L HA 0.199 4.540 4.340 0.001 0.000 0.284 358 L C -0.237 176.901 176.870 0.446 0.000 1.078 358 L CA -0.382 54.660 54.840 0.337 0.000 0.815 358 L CB 0.497 42.789 42.059 0.388 0.000 1.162 358 L HN -0.176 nan 8.230 nan 0.000 0.435 359 K N 6.219 126.824 120.400 0.342 0.000 2.322 359 K HA 0.326 4.647 4.320 0.001 0.000 0.283 359 K C -2.304 174.522 176.600 0.376 0.000 1.042 359 K CA -1.743 54.730 56.287 0.310 0.000 0.958 359 K CB 0.440 33.056 32.500 0.193 0.000 0.984 359 K HN 0.436 nan 8.250 nan 0.000 0.473 360 P HA 0.040 nan 4.420 nan 0.000 0.266 360 P C 0.422 177.650 177.300 -0.120 0.000 1.195 360 P CA 0.328 63.505 63.100 0.128 0.000 0.768 360 P CB 0.593 32.399 31.700 0.177 0.000 0.838 361 G N 1.184 109.694 108.800 -0.483 0.000 4.446 361 G HA2 0.218 4.179 3.960 0.001 0.000 0.205 361 G HA3 0.218 4.179 3.960 0.001 0.000 0.205 361 G C 0.404 174.985 174.900 -0.533 0.000 0.820 361 G CA 0.232 45.127 45.100 -0.341 0.000 0.792 361 G HN 0.742 nan 8.290 nan 0.000 0.525 362 G N -0.208 107.941 108.800 -1.084 0.000 2.508 362 G HA2 0.609 4.570 3.960 0.001 0.000 0.278 362 G HA3 0.609 4.570 3.960 0.001 0.000 0.278 362 G C -0.834 173.629 174.900 -0.729 0.000 1.389 362 G CA -0.623 43.940 45.100 -0.895 0.000 1.050 362 G HN 0.089 nan 8.290 nan 0.000 0.522 363 F N -1.472 118.333 119.950 -0.241 0.000 2.613 363 F HA 0.684 5.211 4.527 0.001 0.000 0.314 363 F C 0.604 176.405 175.800 0.001 0.000 1.075 363 F CA -0.621 57.323 58.000 -0.094 0.000 0.945 363 F CB 1.986 40.979 39.000 -0.012 0.000 1.310 363 F HN 0.659 nan 8.300 nan 0.000 0.467 364 A N 0.786 123.741 122.820 0.225 0.000 2.263 364 A HA 0.575 4.895 4.320 0.001 0.000 0.318 364 A C -0.034 177.742 177.584 0.321 0.000 1.111 364 A CA -0.223 51.965 52.037 0.253 0.000 0.901 364 A CB 0.285 19.390 19.000 0.175 0.000 1.280 364 A HN 0.785 nan 8.150 nan 0.000 0.503 365 F N -0.170 119.862 119.950 0.137 0.000 2.220 365 F HA 0.044 4.572 4.527 0.001 0.000 0.290 365 F C 1.683 177.490 175.800 0.012 0.000 1.080 365 F CA 1.334 59.393 58.000 0.098 0.000 1.318 365 F CB -0.112 38.933 39.000 0.075 0.000 1.063 365 F HN 0.613 nan 8.300 nan 0.000 0.498 366 Q N -0.349 119.466 119.800 0.025 0.000 2.214 366 Q HA 0.091 4.432 4.340 0.001 0.000 0.168 366 Q C 1.107 176.936 176.000 -0.284 0.000 1.047 366 Q CA -0.237 55.395 55.803 -0.285 0.000 1.102 366 Q CB -0.889 27.789 28.738 -0.099 0.000 1.458 366 Q HN 0.197 nan 8.270 nan 0.000 0.561 367 F N 0.494 120.305 119.950 -0.233 0.000 2.053 367 F HA -0.023 4.504 4.527 0.001 0.000 0.292 367 F C 0.894 176.574 175.800 -0.200 0.000 1.125 367 F CA 1.397 59.248 58.000 -0.249 0.000 1.193 367 F CB -0.072 38.736 39.000 -0.321 0.000 0.996 367 F HN 0.501 nan 8.300 nan 0.000 0.470 368 D N -0.499 119.932 120.400 0.052 0.000 2.375 368 D HA 0.168 4.808 4.640 0.001 0.000 0.259 368 D C -1.297 174.957 176.300 -0.076 0.000 1.235 368 D CA -0.152 53.815 54.000 -0.055 0.000 0.924 368 D CB -0.135 40.612 40.800 -0.089 0.000 1.143 368 D HN -0.007 nan 8.370 nan 0.000 0.529 369 N N 3.431 122.092 118.700 -0.066 0.000 2.725 369 N HA 0.052 4.793 4.740 0.001 0.000 0.248 369 N C 0.786 176.245 175.510 -0.085 0.000 1.402 369 N CA -0.449 52.578 53.050 -0.037 0.000 0.766 369 N CB 0.851 39.402 38.487 0.106 0.000 1.223 369 N HN 0.103 nan 8.380 nan 0.000 0.515 370 V N 0.254 119.987 119.914 -0.301 0.000 2.626 370 V HA -0.042 4.079 4.120 0.001 0.000 0.252 370 V C 1.060 176.952 176.094 -0.336 0.000 1.067 370 V CA 1.216 63.286 62.300 -0.384 0.000 1.081 370 V CB -1.129 30.358 31.823 -0.561 0.000 0.686 370 V HN 0.355 nan 8.190 nan 0.000 0.468 371 Y N -0.655 119.550 120.300 -0.159 0.000 2.529 371 Y HA 0.335 4.885 4.550 0.001 0.000 0.290 371 Y C 0.582 176.119 175.900 -0.604 0.000 1.177 371 Y CA -0.686 57.162 58.100 -0.421 0.000 1.305 371 Y CB -0.580 37.491 38.460 -0.650 0.000 1.047 371 Y HN 0.389 nan 8.280 nan 0.000 0.522 372 Y N 0.462 120.934 120.300 0.286 0.000 2.501 372 Y HA 0.334 4.885 4.550 0.001 0.000 0.331 372 Y C -2.516 173.639 175.900 0.426 0.000 0.950 372 Y CA -3.426 54.890 58.100 0.360 0.000 1.120 372 Y CB 0.189 38.764 38.460 0.193 0.000 1.154 372 Y HN -0.089 nan 8.280 nan 0.000 0.630 373 P HA 0.096 nan 4.420 nan 0.000 0.274 373 P C -0.565 176.992 177.300 0.427 0.000 1.231 373 P CA 0.164 63.407 63.100 0.239 0.000 0.790 373 P CB 1.745 33.314 31.700 -0.218 0.000 0.951 374 D N 0.806 121.382 120.400 0.292 0.000 2.457 374 D HA 0.113 4.753 4.640 0.001 0.000 0.240 374 D C 0.990 177.399 176.300 0.182 0.000 1.041 374 D CA -0.862 53.191 54.000 0.088 0.000 0.861 374 D CB 1.833 42.364 40.800 -0.447 0.000 1.394 374 D HN -0.007 nan 8.370 nan 0.000 0.473 375 V N 1.289 121.281 119.914 0.131 0.000 2.332 375 V HA -0.269 3.851 4.120 0.001 0.000 0.248 375 V C 2.020 178.128 176.094 0.024 0.000 1.055 375 V CA 2.087 64.446 62.300 0.099 0.000 1.038 375 V CB -0.662 31.143 31.823 -0.029 0.000 0.651 375 V HN 0.682 nan 8.190 nan 0.000 0.450 376 D N 0.042 120.411 120.400 -0.052 0.000 2.087 376 D HA -0.185 4.456 4.640 0.001 0.000 0.192 376 D C 2.050 178.490 176.300 0.235 0.000 0.993 376 D CA 1.534 55.554 54.000 0.034 0.000 0.828 376 D CB -0.306 40.370 40.800 -0.206 0.000 0.968 376 D HN 0.415 nan 8.370 nan 0.000 0.448 377 D N -0.664 119.863 120.400 0.212 0.000 2.092 377 D HA -0.122 4.519 4.640 0.001 0.000 0.193 377 D C 1.941 178.365 176.300 0.207 0.000 0.994 377 D CA 1.587 55.810 54.000 0.371 0.000 0.828 377 D CB -0.259 40.756 40.800 0.358 0.000 0.963 377 D HN 0.246 nan 8.370 nan 0.000 0.450 378 T N 1.274 115.973 114.554 0.243 0.000 2.699 378 T HA -0.191 4.160 4.350 0.001 0.000 0.268 378 T C 2.031 176.808 174.700 0.128 0.000 1.036 378 T CA 1.701 63.974 62.100 0.289 0.000 1.147 378 T CB -0.298 68.834 68.868 0.439 0.000 0.862 378 T HN 0.211 nan 8.240 nan 0.000 0.446 379 A N 0.909 123.773 122.820 0.074 0.000 1.858 379 A HA -0.037 4.284 4.320 0.001 0.000 0.216 379 A C 2.636 180.254 177.584 0.057 0.000 1.190 379 A CA 1.495 53.530 52.037 -0.004 0.000 0.617 379 A CB -1.044 17.885 19.000 -0.118 0.000 0.827 379 A HN 0.350 nan 8.150 nan 0.000 0.443 380 V N -0.272 119.650 119.914 0.012 0.000 2.295 380 V HA -0.236 3.885 4.120 0.001 0.000 0.246 380 V C 2.589 178.528 176.094 -0.259 0.000 1.049 380 V CA 1.984 64.177 62.300 -0.177 0.000 1.024 380 V CB -0.876 30.724 31.823 -0.371 0.000 0.648 380 V HN 0.370 nan 8.190 nan 0.000 0.447 381 V N -0.362 119.398 119.914 -0.257 0.000 2.233 381 V HA -0.253 3.868 4.120 0.001 0.000 0.247 381 V C 2.434 178.367 176.094 -0.268 0.000 1.050 381 V CA 2.111 64.166 62.300 -0.408 0.000 1.010 381 V CB -0.626 30.648 31.823 -0.915 0.000 0.637 381 V HN 0.374 nan 8.190 nan 0.000 0.444 382 V N -0.521 119.310 119.914 -0.138 0.000 2.250 382 V HA -0.328 3.793 4.120 0.001 0.000 0.250 382 V C 2.136 178.361 176.094 0.219 0.000 1.060 382 V CA 2.740 65.124 62.300 0.140 0.000 1.030 382 V CB -0.848 31.170 31.823 0.324 0.000 0.643 382 V HN 0.866 nan 8.190 nan 0.000 0.445 383 W N 1.305 122.565 121.300 -0.066 0.000 2.335 383 W HA -0.221 4.439 4.660 0.001 0.000 0.311 383 W C 2.455 178.867 176.519 -0.179 0.000 1.213 383 W CA 2.031 59.258 57.345 -0.196 0.000 1.274 383 W CB -1.046 28.276 29.460 -0.230 0.000 1.148 383 W HN 0.232 nan 8.180 nan 0.000 0.498 384 A N 0.735 123.391 122.820 -0.274 0.000 1.908 384 A HA -0.187 4.133 4.320 0.001 0.000 0.218 384 A C 2.346 179.861 177.584 -0.116 0.000 1.181 384 A CA 2.083 53.899 52.037 -0.368 0.000 0.627 384 A CB -1.097 17.656 19.000 -0.411 0.000 0.818 384 A HN 0.413 nan 8.150 nan 0.000 0.445 385 L N -0.631 120.575 121.223 -0.029 0.000 2.017 385 L HA -0.193 4.148 4.340 0.001 0.000 0.208 385 L C 2.386 179.317 176.870 0.102 0.000 1.073 385 L CA 1.534 56.405 54.840 0.051 0.000 0.745 385 L CB -0.606 41.510 42.059 0.096 0.000 0.894 385 L HN 0.481 nan 8.230 nan 0.000 0.432 386 N N -0.256 118.531 118.700 0.145 0.000 2.503 386 N HA -0.192 4.548 4.740 0.001 0.000 0.189 386 N C 1.488 177.055 175.510 0.095 0.000 1.048 386 N CA 1.559 54.699 53.050 0.150 0.000 0.905 386 N CB -0.015 38.438 38.487 -0.057 0.000 0.951 386 N HN 0.420 nan 8.380 nan 0.000 0.446 387 T N -3.147 111.451 114.554 0.073 0.000 3.069 387 T HA 0.262 4.613 4.350 0.001 0.000 0.252 387 T C 0.466 175.194 174.700 0.046 0.000 1.053 387 T CA -0.335 61.799 62.100 0.056 0.000 0.964 387 T CB -0.103 68.783 68.868 0.029 0.000 1.005 387 T HN -0.020 nan 8.240 nan 0.000 0.532 388 L N 0.723 121.980 121.223 0.057 0.000 2.313 388 L HA 0.660 5.001 4.340 0.001 0.000 0.268 388 L C 0.130 177.043 176.870 0.072 0.000 1.010 388 L CA -1.464 53.413 54.840 0.060 0.000 0.814 388 L CB 1.838 43.932 42.059 0.059 0.000 1.304 388 L HN -0.086 nan 8.230 nan 0.000 0.441 389 R N 2.295 122.835 120.500 0.068 0.000 2.358 389 R HA 0.571 4.912 4.340 0.001 0.000 0.309 389 R C -1.193 175.145 176.300 0.063 0.000 1.026 389 R CA -0.495 55.644 56.100 0.064 0.000 0.909 389 R CB 1.287 31.620 30.300 0.055 0.000 1.153 389 R HN 0.468 nan 8.270 nan 0.000 0.515 390 L N 3.222 124.484 121.223 0.066 0.000 2.358 390 L HA 0.445 4.786 4.340 0.001 0.000 0.268 390 L C -1.393 175.508 176.870 0.052 0.000 1.032 390 L CA -2.228 52.650 54.840 0.063 0.000 0.805 390 L CB 1.066 43.167 42.059 0.071 0.000 1.253 390 L HN 0.177 nan 8.230 nan 0.000 0.452 391 P HA -0.168 nan 4.420 nan 0.000 0.214 391 P C -0.005 177.316 177.300 0.036 0.000 1.163 391 P CA 1.188 64.311 63.100 0.037 0.000 0.883 391 P CB 0.123 31.844 31.700 0.035 0.000 0.788 392 D N -0.256 120.168 120.400 0.040 0.000 2.619 392 D HA -0.015 4.625 4.640 0.001 0.000 0.224 392 D C 1.029 177.354 176.300 0.043 0.000 1.133 392 D CA 0.015 54.037 54.000 0.037 0.000 1.017 392 D CB -0.484 40.336 40.800 0.034 0.000 1.077 392 D HN -0.071 nan 8.370 nan 0.000 0.503 393 E N 1.250 121.476 120.200 0.042 0.000 2.333 393 E HA -0.221 4.130 4.350 0.001 0.000 0.200 393 E C 1.628 178.255 176.600 0.045 0.000 1.010 393 E CA 0.395 56.824 56.400 0.048 0.000 0.841 393 E CB 0.199 29.925 29.700 0.043 0.000 0.757 393 E HN 0.353 nan 8.360 nan 0.000 0.508 394 R N 1.486 122.008 120.500 0.036 0.000 2.075 394 R HA -0.076 4.265 4.340 0.001 0.000 0.230 394 R C 2.191 178.513 176.300 0.037 0.000 1.140 394 R CA 2.036 58.155 56.100 0.031 0.000 0.928 394 R CB -0.739 29.575 30.300 0.023 0.000 0.834 394 R HN 0.020 nan 8.270 nan 0.000 0.429 395 R N -0.101 120.422 120.500 0.040 0.000 2.120 395 R HA -0.061 4.280 4.340 0.001 0.000 0.234 395 R C 2.512 178.853 176.300 0.068 0.000 1.123 395 R CA 1.706 57.834 56.100 0.046 0.000 0.975 395 R CB -0.224 30.101 30.300 0.040 0.000 0.866 395 R HN 0.250 nan 8.270 nan 0.000 0.446 396 R N -0.012 120.534 120.500 0.076 0.000 2.066 396 R HA -0.167 4.173 4.340 0.001 0.000 0.232 396 R C 2.264 178.630 176.300 0.111 0.000 1.131 396 R CA 1.735 57.897 56.100 0.102 0.000 0.955 396 R CB -0.156 30.204 30.300 0.100 0.000 0.851 396 R HN 0.005 nan 8.270 nan 0.000 0.432 397 R N 0.953 121.505 120.500 0.086 0.000 2.080 397 R HA -0.174 4.166 4.340 0.001 0.000 0.236 397 R C 1.750 178.086 176.300 0.060 0.000 1.137 397 R CA 2.433 58.576 56.100 0.072 0.000 0.943 397 R CB -0.853 29.474 30.300 0.045 0.000 0.846 397 R HN 0.295 nan 8.270 nan 0.000 0.431 398 D N -0.751 119.680 120.400 0.052 0.000 2.097 398 D HA -0.096 4.545 4.640 0.001 0.000 0.195 398 D C 1.703 178.045 176.300 0.070 0.000 0.989 398 D CA 1.840 55.867 54.000 0.044 0.000 0.827 398 D CB -0.240 40.580 40.800 0.033 0.000 0.966 398 D HN 0.364 nan 8.370 nan 0.000 0.456 399 A N 0.269 123.146 122.820 0.095 0.000 1.859 399 A HA -0.265 4.056 4.320 0.001 0.000 0.217 399 A C 2.323 180.024 177.584 0.196 0.000 1.198 399 A CA 2.084 54.204 52.037 0.138 0.000 0.629 399 A CB -0.864 18.242 19.000 0.176 0.000 0.830 399 A HN 0.305 nan 8.150 nan 0.000 0.446 400 M N -0.962 118.765 119.600 0.213 0.000 2.110 400 M HA -0.215 4.266 4.480 0.001 0.000 0.257 400 M C 2.337 178.766 176.300 0.215 0.000 1.071 400 M CA 2.455 57.916 55.300 0.268 0.000 1.096 400 M CB -1.004 31.763 32.600 0.279 0.000 1.300 400 M HN 0.527 nan 8.290 nan 0.000 0.411 401 T N 0.451 115.056 114.554 0.086 0.000 2.665 401 T HA -0.185 4.166 4.350 0.001 0.000 0.268 401 T C 1.719 176.492 174.700 0.121 0.000 1.035 401 T CA 1.553 63.661 62.100 0.013 0.000 1.151 401 T CB -0.241 68.595 68.868 -0.053 0.000 0.862 401 T HN 0.379 nan 8.240 nan 0.000 0.438 402 K N 0.444 120.921 120.400 0.129 0.000 2.002 402 K HA -0.044 4.277 4.320 0.001 0.000 0.209 402 K C 2.692 179.434 176.600 0.237 0.000 1.048 402 K CA 1.314 57.688 56.287 0.145 0.000 0.930 402 K CB -0.688 31.858 32.500 0.076 0.000 0.714 402 K HN 0.382 nan 8.250 nan 0.000 0.438 403 G N 1.396 110.357 108.800 0.268 0.000 2.491 403 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 403 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 403 G C 1.352 176.520 174.900 0.446 0.000 1.180 403 G CA 0.810 46.131 45.100 0.368 0.000 0.774 403 G HN 0.204 nan 8.290 nan 0.000 0.562 404 F N 1.896 121.995 119.950 0.248 0.000 2.027 404 F HA -0.166 4.361 4.527 0.001 0.000 0.297 404 F C 2.965 178.904 175.800 0.232 0.000 1.129 404 F CA 2.179 60.320 58.000 0.234 0.000 1.195 404 F CB -0.456 38.549 39.000 0.007 0.000 0.960 404 F HN 0.021 nan 8.300 nan 0.000 0.485 405 R N -1.245 119.597 120.500 0.570 0.000 2.103 405 R HA -0.280 4.061 4.340 0.001 0.000 0.242 405 R C 2.146 178.643 176.300 0.330 0.000 1.142 405 R CA 2.035 58.375 56.100 0.400 0.000 0.960 405 R CB -1.317 29.131 30.300 0.246 0.000 0.858 405 R HN 0.550 nan 8.270 nan 0.000 0.439 406 W N 1.556 122.938 121.300 0.137 0.000 2.355 406 W HA -0.128 4.533 4.660 0.001 0.000 0.309 406 W C 1.821 178.377 176.519 0.062 0.000 1.206 406 W CA 1.322 58.681 57.345 0.023 0.000 1.284 406 W CB -0.313 29.098 29.460 -0.082 0.000 1.145 406 W HN -0.049 nan 8.180 nan 0.000 0.502 407 I N -0.213 120.478 120.570 0.201 0.000 2.208 407 I HA -0.348 3.822 4.170 0.001 0.000 0.245 407 I C 2.105 178.360 176.117 0.229 0.000 1.097 407 I CA 1.489 62.816 61.300 0.044 0.000 1.363 407 I CB -0.986 37.008 38.000 -0.010 0.000 1.051 407 I HN -0.185 nan 8.210 nan 0.000 0.413 408 V N 0.861 120.956 119.914 0.302 0.000 2.407 408 V HA -0.190 3.931 4.120 0.001 0.000 0.248 408 V C 2.433 178.626 176.094 0.165 0.000 1.055 408 V CA 2.055 64.570 62.300 0.360 0.000 1.049 408 V CB -1.272 30.766 31.823 0.358 0.000 0.662 408 V HN 0.587 nan 8.190 nan 0.000 0.455 409 G N -1.270 107.554 108.800 0.039 0.000 2.744 409 G HA2 -0.102 3.859 3.960 0.001 0.000 0.211 409 G HA3 -0.102 3.859 3.960 0.001 0.000 0.211 409 G C 1.331 176.120 174.900 -0.184 0.000 1.143 409 G CA 0.185 45.249 45.100 -0.060 0.000 0.788 409 G HN 0.321 nan 8.290 nan 0.000 0.534 410 M N -0.054 119.402 119.600 -0.240 0.000 2.510 410 M HA 0.182 4.662 4.480 0.001 0.000 0.256 410 M C 1.176 177.324 176.300 -0.253 0.000 1.132 410 M CA -0.160 54.963 55.300 -0.295 0.000 1.105 410 M CB -0.541 31.748 32.600 -0.519 0.000 1.375 410 M HN 0.302 nan 8.290 nan 0.000 0.477 411 Q N 1.264 120.843 119.800 -0.369 0.000 2.310 411 Q HA -0.005 4.336 4.340 0.001 0.000 0.315 411 Q C -0.286 175.304 176.000 -0.684 0.000 1.081 411 Q CA 0.393 55.499 55.803 -1.162 0.000 0.981 411 Q CB 0.772 28.852 28.738 -1.097 0.000 1.184 411 Q HN 0.152 nan 8.270 nan 0.000 0.389 412 S N 1.470 116.753 115.700 -0.695 0.000 2.671 412 S HA 0.123 4.594 4.470 0.001 0.000 0.272 412 S C 1.006 175.396 174.600 -0.349 0.000 1.174 412 S CA -0.497 57.465 58.200 -0.397 0.000 1.004 412 S CB 1.294 64.307 63.200 -0.313 0.000 1.077 412 S HN 0.776 nan 8.310 nan 0.000 0.553 413 S N 1.754 117.318 115.700 -0.227 0.000 2.399 413 S HA -0.138 4.332 4.470 0.001 0.000 0.231 413 S C 1.222 175.717 174.600 -0.175 0.000 1.022 413 S CA 1.554 59.650 58.200 -0.173 0.000 0.983 413 S CB -0.545 62.591 63.200 -0.107 0.000 0.803 413 S HN 0.778 nan 8.310 nan 0.000 0.480 414 N N 0.439 119.014 118.700 -0.209 0.000 2.314 414 N HA 0.313 5.053 4.740 0.001 0.000 0.200 414 N C 0.892 176.275 175.510 -0.212 0.000 1.135 414 N CA 0.566 53.524 53.050 -0.153 0.000 0.835 414 N CB -0.115 38.324 38.487 -0.080 0.000 0.989 414 N HN 0.274 nan 8.380 nan 0.000 0.478 415 G N -2.095 106.504 108.800 -0.336 0.000 2.159 415 G HA2 -0.187 3.774 3.960 0.001 0.000 0.256 415 G HA3 -0.187 3.774 3.960 0.001 0.000 0.256 415 G C 0.305 174.892 174.900 -0.522 0.000 0.977 415 G CA 0.049 44.927 45.100 -0.370 0.000 0.652 415 G HN 0.817 nan 8.290 nan 0.000 0.531 416 G N -1.877 106.473 108.800 -0.750 0.000 2.601 416 G HA2 0.575 4.536 3.960 0.001 0.000 0.317 416 G HA3 0.575 4.536 3.960 0.001 0.000 0.317 416 G C -0.642 173.898 174.900 -0.599 0.000 1.246 416 G CA -0.901 43.706 45.100 -0.823 0.000 1.012 416 G HN 0.254 nan 8.290 nan 0.000 0.494 417 W N -0.050 121.069 121.300 -0.302 0.000 2.739 417 W HA 0.520 5.181 4.660 0.001 0.000 0.331 417 W C 0.404 176.870 176.519 -0.089 0.000 1.049 417 W CA -0.718 56.520 57.345 -0.178 0.000 1.234 417 W CB 2.079 31.447 29.460 -0.154 0.000 1.404 417 W HN 0.830 nan 8.180 nan 0.000 0.477 418 G N 0.814 109.714 108.800 0.166 0.000 2.509 418 G HA2 0.462 4.422 3.960 0.001 0.000 0.269 418 G HA3 0.462 4.422 3.960 0.001 0.000 0.269 418 G C 0.436 175.448 174.900 0.188 0.000 1.416 418 G CA 0.399 45.615 45.100 0.193 0.000 1.052 418 G HN 0.492 nan 8.290 nan 0.000 0.542 419 A N -2.256 120.673 122.820 0.183 0.000 1.944 419 A HA 0.394 4.715 4.320 0.001 0.000 0.207 419 A C 1.775 179.228 177.584 -0.218 0.000 1.265 419 A CA 0.786 52.758 52.037 -0.108 0.000 0.712 419 A CB -0.045 18.811 19.000 -0.240 0.000 0.915 419 A HN 0.538 nan 8.150 nan 0.000 0.470 420 Y N -0.234 120.256 120.300 0.316 0.000 2.589 420 Y HA 0.283 4.833 4.550 0.001 0.000 0.271 420 Y C 0.303 176.418 175.900 0.358 0.000 1.107 420 Y CA -0.515 57.807 58.100 0.370 0.000 1.273 420 Y CB 0.609 39.319 38.460 0.417 0.000 1.266 420 Y HN 0.137 nan 8.280 nan 0.000 0.504 421 D N -0.721 119.926 120.400 0.412 0.000 2.497 421 D HA 0.479 5.120 4.640 0.001 0.000 0.243 421 D C -1.034 175.370 176.300 0.174 0.000 1.039 421 D CA -0.450 53.740 54.000 0.317 0.000 1.052 421 D CB 3.115 44.094 40.800 0.298 0.000 1.344 421 D HN -0.340 nan 8.370 nan 0.000 0.553 422 V N 1.232 121.221 119.914 0.125 0.000 2.427 422 V HA 0.121 4.241 4.120 0.001 0.000 0.286 422 V C -0.122 175.987 176.094 0.024 0.000 1.034 422 V CA -0.525 61.791 62.300 0.025 0.000 0.893 422 V CB 1.228 33.046 31.823 -0.008 0.000 0.982 422 V HN 0.579 nan 8.190 nan 0.000 0.452 423 D N 2.751 123.139 120.400 -0.020 0.000 2.701 423 D HA -0.207 4.434 4.640 0.001 0.000 0.235 423 D C 0.638 176.950 176.300 0.020 0.000 1.155 423 D CA 0.735 54.725 54.000 -0.017 0.000 0.649 423 D CB -0.665 40.118 40.800 -0.029 0.000 1.050 423 D HN 0.771 nan 8.370 nan 0.000 0.425 424 N N 0.834 119.563 118.700 0.048 0.000 3.178 424 N HA -0.001 4.739 4.740 0.001 0.000 0.300 424 N C 0.632 176.157 175.510 0.024 0.000 1.242 424 N CA 0.558 53.640 53.050 0.053 0.000 1.192 424 N CB 0.127 38.666 38.487 0.087 0.000 1.463 424 N HN 0.230 nan 8.380 nan 0.000 0.539 425 T N -2.451 112.107 114.554 0.006 0.000 3.132 425 T HA 0.080 4.431 4.350 0.001 0.000 0.274 425 T C 0.734 175.419 174.700 -0.026 0.000 1.011 425 T CA -0.514 61.584 62.100 -0.005 0.000 0.899 425 T CB 0.111 68.979 68.868 0.001 0.000 1.089 425 T HN 0.133 nan 8.240 nan 0.000 0.543 426 S N 0.774 116.446 115.700 -0.045 0.000 2.559 426 S HA 0.036 4.507 4.470 0.001 0.000 0.282 426 S C 0.797 175.343 174.600 -0.089 0.000 1.336 426 S CA 0.200 58.363 58.200 -0.062 0.000 1.037 426 S CB 0.639 63.784 63.200 -0.093 0.000 0.853 426 S HN 0.504 nan 8.310 nan 0.000 0.523 427 D N 1.624 121.989 120.400 -0.059 0.000 2.423 427 D HA 0.147 4.788 4.640 0.001 0.000 0.212 427 D C 1.767 178.007 176.300 -0.101 0.000 1.060 427 D CA -0.101 53.860 54.000 -0.065 0.000 0.872 427 D CB -0.068 40.759 40.800 0.045 0.000 1.012 427 D HN 0.381 nan 8.370 nan 0.000 0.503 428 L N 1.982 123.178 121.223 -0.044 0.000 1.997 428 L HA -0.114 4.227 4.340 0.001 0.000 0.216 428 L C -0.618 176.100 176.870 -0.253 0.000 1.074 428 L CA 2.149 56.977 54.840 -0.019 0.000 0.763 428 L CB -2.115 39.940 42.059 -0.007 0.000 0.890 428 L HN 0.201 nan 8.230 nan 0.000 0.434 429 P HA -0.183 nan 4.420 nan 0.000 0.217 429 P C 1.018 178.043 177.300 -0.459 0.000 1.148 429 P CA 1.284 64.043 63.100 -0.568 0.000 0.828 429 P CB -0.298 30.800 31.700 -1.004 0.000 0.783 430 N N -0.747 117.646 118.700 -0.512 0.000 2.585 430 N HA -0.123 4.618 4.740 0.001 0.000 0.188 430 N C 1.251 176.360 175.510 -0.669 0.000 1.102 430 N CA 0.865 53.580 53.050 -0.558 0.000 0.920 430 N CB -0.421 37.704 38.487 -0.603 0.000 0.963 430 N HN 0.464 nan 8.380 nan 0.000 0.447 431 H N -0.421 118.408 119.070 -0.402 0.000 2.705 431 H HA 0.190 4.747 4.556 0.001 0.000 0.269 431 H C 0.621 175.538 175.328 -0.686 0.000 0.998 431 H CA -0.378 55.353 56.048 -0.528 0.000 1.193 431 H CB 0.988 30.368 29.762 -0.637 0.000 1.485 431 H HN 0.025 nan 8.280 nan 0.000 0.521 432 I N 2.638 122.891 120.570 -0.528 0.000 2.752 432 I HA 0.001 4.172 4.170 0.001 0.000 0.287 432 I C -1.213 174.872 176.117 -0.052 0.000 1.188 432 I CA -2.019 59.115 61.300 -0.277 0.000 1.427 432 I CB 0.175 38.124 38.000 -0.084 0.000 1.365 432 I HN -0.115 nan 8.210 nan 0.000 0.585 433 P HA -0.185 nan 4.420 nan 0.000 0.218 433 P C 1.822 179.168 177.300 0.076 0.000 1.148 433 P CA 1.291 64.445 63.100 0.090 0.000 0.822 433 P CB 0.042 31.830 31.700 0.147 0.000 0.784 434 F N 0.208 120.137 119.950 -0.037 0.000 2.134 434 F HA -0.129 4.398 4.527 0.001 0.000 0.299 434 F C 0.800 176.516 175.800 -0.139 0.000 1.097 434 F CA 1.023 58.970 58.000 -0.089 0.000 1.264 434 F CB -0.511 38.442 39.000 -0.078 0.000 1.001 434 F HN -0.206 nan 8.300 nan 0.000 0.479 435 C N 3.102 122.431 119.300 0.049 0.000 2.896 435 C HA 0.116 4.576 4.460 0.001 0.000 0.499 435 C C 0.779 175.707 174.990 -0.104 0.000 1.022 435 C CA -0.011 58.985 59.018 -0.037 0.000 1.127 435 C CB -2.292 25.468 27.740 0.032 0.000 1.452 435 C HN 0.504 nan 8.230 nan 0.000 0.580 436 D N -0.579 119.723 120.400 -0.162 0.000 2.440 436 D HA 0.115 4.756 4.640 0.001 0.000 0.216 436 D C -0.249 176.077 176.300 0.044 0.000 1.150 436 D CA -0.233 53.725 54.000 -0.070 0.000 0.832 436 D CB -0.029 40.723 40.800 -0.079 0.000 0.992 436 D HN 0.377 nan 8.370 nan 0.000 0.502 437 F N 0.907 120.760 119.950 -0.163 0.000 2.562 437 F HA 0.515 5.043 4.527 0.001 0.000 0.319 437 F C 0.855 176.574 175.800 -0.135 0.000 1.154 437 F CA 0.434 58.392 58.000 -0.071 0.000 0.931 437 F CB 1.518 40.531 39.000 0.021 0.000 1.198 437 F HN 0.201 nan 8.300 nan 0.000 0.444 438 G N 4.724 113.091 108.800 -0.722 0.000 2.575 438 G HA2 -0.191 3.770 3.960 0.001 0.000 0.267 438 G HA3 -0.191 3.770 3.960 0.001 0.000 0.267 438 G C -0.616 173.820 174.900 -0.773 0.000 1.264 438 G CA -0.263 44.269 45.100 -0.946 0.000 0.935 438 G HN 0.696 nan 8.290 nan 0.000 0.568 439 E N -0.260 119.230 120.200 -1.184 0.000 2.283 439 E HA 0.486 4.836 4.350 0.001 0.000 0.271 439 E C 1.107 177.715 176.600 0.013 0.000 1.031 439 E CA 0.096 56.276 56.400 -0.367 0.000 0.868 439 E CB 1.631 31.307 29.700 -0.040 0.000 1.094 439 E HN 0.699 nan 8.360 nan 0.000 0.401 440 V N -0.887 119.076 119.914 0.082 0.000 3.485 440 V HA 0.067 4.188 4.120 0.001 0.000 0.280 440 V C 0.635 176.694 176.094 -0.057 0.000 1.495 440 V CA 0.240 62.587 62.300 0.078 0.000 1.018 440 V CB 0.504 32.312 31.823 -0.026 0.000 0.818 440 V HN 0.722 nan 8.190 nan 0.000 0.436 441 T N -2.280 112.265 114.554 -0.015 0.000 2.916 441 T HA 0.648 4.998 4.350 0.001 0.000 0.292 441 T C -1.236 173.505 174.700 0.068 0.000 1.064 441 T CA -0.348 61.709 62.100 -0.071 0.000 1.011 441 T CB 2.727 71.546 68.868 -0.081 0.000 1.152 441 T HN 0.036 nan 8.240 nan 0.000 0.510 442 D N 2.400 122.828 120.400 0.047 0.000 2.517 442 D HA 0.392 5.032 4.640 0.001 0.000 0.301 442 D C -2.368 174.063 176.300 0.217 0.000 1.202 442 D CA -1.993 52.154 54.000 0.245 0.000 0.910 442 D CB 0.759 41.685 40.800 0.210 0.000 1.021 442 D HN 0.322 nan 8.370 nan 0.000 0.499 443 P HA 0.380 nan 4.420 nan 0.000 0.278 443 P C -2.688 174.706 177.300 0.156 0.000 1.258 443 P CA -1.701 61.477 63.100 0.130 0.000 0.811 443 P CB 0.463 32.224 31.700 0.101 0.000 1.063 444 P HA 0.086 nan 4.420 nan 0.000 0.269 444 P C -0.209 177.203 177.300 0.186 0.000 1.209 444 P CA 0.490 63.607 63.100 0.029 0.000 0.776 444 P CB 0.227 31.760 31.700 -0.279 0.000 0.876 445 S N 0.297 116.148 115.700 0.252 0.000 2.570 445 S HA 0.370 4.841 4.470 0.001 0.000 0.286 445 S C 0.727 175.535 174.600 0.346 0.000 1.099 445 S CA -0.653 57.752 58.200 0.340 0.000 0.913 445 S CB 1.715 65.104 63.200 0.316 0.000 1.085 445 S HN 0.208 nan 8.310 nan 0.000 0.480 446 E N 1.580 121.961 120.200 0.302 0.000 2.058 446 E HA -0.186 4.165 4.350 0.001 0.000 0.194 446 E C 1.428 177.975 176.600 -0.088 0.000 0.997 446 E CA 2.142 58.612 56.400 0.116 0.000 0.801 446 E CB -0.332 29.384 29.700 0.026 0.000 0.746 446 E HN 0.871 nan 8.360 nan 0.000 0.450 447 D N 0.518 120.832 120.400 -0.142 0.000 2.097 447 D HA -0.153 4.487 4.640 0.001 0.000 0.195 447 D C 1.938 177.950 176.300 -0.480 0.000 0.989 447 D CA 1.139 54.888 54.000 -0.418 0.000 0.827 447 D CB -0.807 39.766 40.800 -0.379 0.000 0.966 447 D HN 0.160 nan 8.370 nan 0.000 0.456 448 V N 0.889 120.726 119.914 -0.128 0.000 2.261 448 V HA -0.258 3.863 4.120 0.001 0.000 0.246 448 V C 2.665 178.692 176.094 -0.111 0.000 1.047 448 V CA 2.334 64.598 62.300 -0.060 0.000 1.015 448 V CB -1.174 30.697 31.823 0.079 0.000 0.642 448 V HN 0.297 nan 8.190 nan 0.000 0.446 449 T N 0.528 115.088 114.554 0.010 0.000 2.699 449 T HA -0.226 4.125 4.350 0.001 0.000 0.268 449 T C 2.053 176.682 174.700 -0.118 0.000 1.036 449 T CA 1.785 63.938 62.100 0.089 0.000 1.147 449 T CB -0.493 68.543 68.868 0.279 0.000 0.862 449 T HN 0.593 nan 8.240 nan 0.000 0.446 450 A N 1.181 123.873 122.820 -0.213 0.000 1.877 450 A HA -0.163 4.157 4.320 0.001 0.000 0.216 450 A C 1.938 179.390 177.584 -0.220 0.000 1.186 450 A CA 1.779 53.647 52.037 -0.282 0.000 0.620 450 A CB -1.043 17.708 19.000 -0.414 0.000 0.822 450 A HN 0.710 nan 8.150 nan 0.000 0.443 451 H N -1.225 117.723 119.070 -0.203 0.000 2.387 451 H HA -0.099 4.458 4.556 0.001 0.000 0.299 451 H C 2.107 177.245 175.328 -0.316 0.000 1.099 451 H CA 0.993 56.953 56.048 -0.148 0.000 1.315 451 H CB 0.009 29.752 29.762 -0.031 0.000 1.380 451 H HN 0.304 nan 8.280 nan 0.000 0.513 452 V N 0.614 120.287 119.914 -0.401 0.000 2.261 452 V HA -0.238 3.883 4.120 0.001 0.000 0.246 452 V C 2.243 177.759 176.094 -0.962 0.000 1.047 452 V CA 1.391 63.147 62.300 -0.907 0.000 1.015 452 V CB -0.438 30.470 31.823 -1.526 0.000 0.642 452 V HN 0.232 nan 8.190 nan 0.000 0.446 453 L N 0.072 120.941 121.223 -0.590 0.000 2.043 453 L HA -0.220 4.121 4.340 0.001 0.000 0.212 453 L C 2.466 179.162 176.870 -0.290 0.000 1.075 453 L CA 2.227 56.884 54.840 -0.304 0.000 0.752 453 L CB -0.914 41.068 42.059 -0.128 0.000 0.891 453 L HN 0.475 nan 8.230 nan 0.000 0.432 454 E N -1.693 118.284 120.200 -0.371 0.000 2.204 454 E HA -0.216 4.135 4.350 0.001 0.000 0.194 454 E C 2.395 178.487 176.600 -0.847 0.000 0.989 454 E CA 1.064 57.142 56.400 -0.536 0.000 0.824 454 E CB -0.164 29.218 29.700 -0.530 0.000 0.756 454 E HN 0.554 nan 8.360 nan 0.000 0.477 455 C N -0.183 118.717 119.300 -0.667 0.000 2.473 455 C HA -0.102 4.359 4.460 0.001 0.000 0.279 455 C C 2.234 177.067 174.990 -0.262 0.000 1.250 455 C CA 0.654 59.347 59.018 -0.542 0.000 1.713 455 C CB -1.350 26.185 27.740 -0.343 0.000 2.066 455 C HN 0.531 nan 8.230 nan 0.000 0.474 456 F N 1.995 121.877 119.950 -0.113 0.000 2.161 456 F HA 0.053 4.580 4.527 0.001 0.000 0.300 456 F C 2.616 178.531 175.800 0.191 0.000 1.089 456 F CA 1.294 59.403 58.000 0.181 0.000 1.282 456 F CB -1.778 37.326 39.000 0.173 0.000 1.010 456 F HN 0.387 nan 8.300 nan 0.000 0.485 457 G N -0.007 108.875 108.800 0.137 0.000 2.529 457 G HA2 -0.354 3.607 3.960 0.001 0.000 0.219 457 G HA3 -0.354 3.607 3.960 0.001 0.000 0.219 457 G C 1.863 176.734 174.900 -0.048 0.000 1.177 457 G CA 1.898 47.014 45.100 0.026 0.000 0.773 457 G HN 0.470 nan 8.290 nan 0.000 0.573 458 S N 0.615 116.125 115.700 -0.317 0.000 2.374 458 S HA -0.164 4.307 4.470 0.001 0.000 0.227 458 S C 2.098 176.604 174.600 -0.158 0.000 1.037 458 S CA 1.761 59.742 58.200 -0.365 0.000 1.024 458 S CB -0.629 62.161 63.200 -0.684 0.000 0.861 458 S HN 0.208 nan 8.310 nan 0.000 0.456 459 F N 2.337 122.392 119.950 0.174 0.000 2.407 459 F HA 0.311 4.839 4.527 0.001 0.000 0.299 459 F C 2.431 178.368 175.800 0.228 0.000 1.097 459 F CA 0.405 58.573 58.000 0.280 0.000 1.422 459 F CB -0.715 38.585 39.000 0.500 0.000 1.067 459 F HN 0.528 nan 8.300 nan 0.000 0.539 460 G N -1.962 107.049 108.800 0.351 0.000 2.278 460 G HA2 -0.262 3.699 3.960 0.001 0.000 0.210 460 G HA3 -0.262 3.699 3.960 0.001 0.000 0.210 460 G C -0.001 174.993 174.900 0.157 0.000 1.000 460 G CA -0.527 44.673 45.100 0.167 0.000 0.635 460 G HN 0.156 nan 8.290 nan 0.000 0.495 461 Y N 3.869 124.286 120.300 0.193 0.000 2.802 461 Y HA 0.325 4.875 4.550 0.001 0.000 0.333 461 Y C 1.302 177.351 175.900 0.250 0.000 1.244 461 Y CA 0.341 58.558 58.100 0.195 0.000 1.558 461 Y CB 0.336 38.953 38.460 0.261 0.000 1.233 461 Y HN 0.483 nan 8.280 nan 0.000 0.547 462 D N 0.830 121.397 120.400 0.278 0.000 2.595 462 D HA 0.062 4.702 4.640 0.001 0.000 0.268 462 D C 0.663 177.120 176.300 0.261 0.000 1.181 462 D CA -0.393 53.743 54.000 0.225 0.000 1.085 462 D CB 0.291 41.166 40.800 0.124 0.000 1.186 462 D HN 0.440 nan 8.370 nan 0.000 0.621 463 D N -0.913 119.596 120.400 0.181 0.000 2.309 463 D HA -0.087 4.554 4.640 0.001 0.000 0.212 463 D C 1.811 178.210 176.300 0.165 0.000 0.968 463 D CA 1.453 55.549 54.000 0.160 0.000 0.882 463 D CB -0.256 40.614 40.800 0.116 0.000 0.918 463 D HN 0.428 nan 8.370 nan 0.000 0.503 464 A N 0.067 122.991 122.820 0.173 0.000 1.877 464 A HA -0.109 4.212 4.320 0.001 0.000 0.216 464 A C 1.008 178.740 177.584 0.247 0.000 1.186 464 A CA 0.661 52.796 52.037 0.163 0.000 0.620 464 A CB -1.095 17.976 19.000 0.118 0.000 0.822 464 A HN 0.475 nan 8.150 nan 0.000 0.443 465 W N 2.017 123.367 121.300 0.083 0.000 2.347 465 W HA 0.171 4.832 4.660 0.001 0.000 0.333 465 W C 1.353 177.925 176.519 0.088 0.000 1.383 465 W CA -0.308 57.096 57.345 0.099 0.000 1.283 465 W CB 0.469 30.029 29.460 0.167 0.000 1.253 465 W HN 0.399 nan 8.180 nan 0.000 0.563 466 K N 3.503 123.997 120.400 0.157 0.000 2.074 466 K HA -0.223 4.098 4.320 0.001 0.000 0.209 466 K C 1.522 177.952 176.600 -0.282 0.000 1.048 466 K CA 2.153 58.409 56.287 -0.051 0.000 0.926 466 K CB -0.142 32.356 32.500 -0.003 0.000 0.713 466 K HN 0.437 nan 8.250 nan 0.000 0.444 467 V N 1.943 121.403 119.914 -0.756 0.000 2.282 467 V HA -0.309 3.812 4.120 0.001 0.000 0.249 467 V C 2.429 178.270 176.094 -0.421 0.000 1.057 467 V CA 1.712 63.536 62.300 -0.792 0.000 1.032 467 V CB -0.412 30.483 31.823 -1.548 0.000 0.645 467 V HN 0.363 nan 8.190 nan 0.000 0.447 468 I N -0.117 120.238 120.570 -0.359 0.000 2.163 468 I HA -0.248 3.922 4.170 0.001 0.000 0.243 468 I C 2.616 178.754 176.117 0.034 0.000 1.085 468 I CA 1.959 63.267 61.300 0.014 0.000 1.347 468 I CB -1.183 36.935 38.000 0.196 0.000 1.044 468 I HN 0.369 nan 8.210 nan 0.000 0.408 469 R N 1.418 121.922 120.500 0.007 0.000 2.082 469 R HA -0.179 4.162 4.340 0.001 0.000 0.234 469 R C 2.512 178.815 176.300 0.006 0.000 1.136 469 R CA 1.639 57.753 56.100 0.023 0.000 0.935 469 R CB -0.196 30.117 30.300 0.021 0.000 0.842 469 R HN 0.279 nan 8.270 nan 0.000 0.430 470 R N 0.053 120.527 120.500 -0.043 0.000 2.133 470 R HA -0.202 4.138 4.340 0.001 0.000 0.247 470 R C 2.324 178.620 176.300 -0.006 0.000 1.151 470 R CA 1.655 57.724 56.100 -0.052 0.000 0.971 470 R CB -0.536 29.686 30.300 -0.129 0.000 0.866 470 R HN 0.354 nan 8.270 nan 0.000 0.447 471 A N 0.807 123.637 122.820 0.015 0.000 1.854 471 A HA -0.075 4.246 4.320 0.001 0.000 0.214 471 A C 2.438 180.124 177.584 0.169 0.000 1.192 471 A CA 1.237 53.347 52.037 0.122 0.000 0.611 471 A CB -0.535 18.608 19.000 0.238 0.000 0.832 471 A HN 0.109 nan 8.150 nan 0.000 0.442 472 V N 0.582 120.564 119.914 0.113 0.000 2.332 472 V HA -0.249 3.872 4.120 0.001 0.000 0.248 472 V C 2.586 178.731 176.094 0.085 0.000 1.055 472 V CA 2.211 64.569 62.300 0.096 0.000 1.038 472 V CB -0.788 31.089 31.823 0.091 0.000 0.651 472 V HN 0.506 nan 8.190 nan 0.000 0.450 473 E N -0.539 119.703 120.200 0.069 0.000 2.085 473 E HA -0.256 4.095 4.350 0.001 0.000 0.194 473 E C 2.022 178.666 176.600 0.073 0.000 0.994 473 E CA 1.819 58.246 56.400 0.045 0.000 0.801 473 E CB -0.534 29.186 29.700 0.033 0.000 0.743 473 E HN 0.786 nan 8.360 nan 0.000 0.453 474 Y N 1.436 121.740 120.300 0.007 0.000 2.097 474 Y HA -0.209 4.342 4.550 0.001 0.000 0.282 474 Y C 2.240 178.184 175.900 0.074 0.000 1.152 474 Y CA 1.560 59.672 58.100 0.020 0.000 1.136 474 Y CB -0.566 37.892 38.460 -0.004 0.000 0.975 474 Y HN -0.057 nan 8.280 nan 0.000 0.498 475 L N 0.186 121.343 121.223 -0.110 0.000 2.017 475 L HA -0.256 4.085 4.340 0.001 0.000 0.208 475 L C 2.591 179.568 176.870 0.178 0.000 1.073 475 L CA 1.869 56.637 54.840 -0.120 0.000 0.745 475 L CB -0.624 41.350 42.059 -0.141 0.000 0.894 475 L HN 0.150 nan 8.230 nan 0.000 0.432 476 K N -0.099 120.392 120.400 0.151 0.000 2.113 476 K HA -0.202 4.119 4.320 0.001 0.000 0.208 476 K C 2.194 178.816 176.600 0.037 0.000 1.047 476 K CA 1.505 57.868 56.287 0.127 0.000 0.928 476 K CB -0.108 32.348 32.500 -0.074 0.000 0.716 476 K HN 0.327 nan 8.250 nan 0.000 0.446 477 R N 0.215 120.701 120.500 -0.023 0.000 2.193 477 R HA -0.030 4.311 4.340 0.001 0.000 0.213 477 R C 1.609 177.863 176.300 -0.078 0.000 1.055 477 R CA 0.623 56.690 56.100 -0.055 0.000 0.995 477 R CB 0.104 30.377 30.300 -0.046 0.000 0.893 477 R HN 0.148 nan 8.270 nan 0.000 0.459 478 E N 1.056 121.196 120.200 -0.100 0.000 2.442 478 E HA -0.044 4.306 4.350 0.001 0.000 0.195 478 E C 0.449 177.031 176.600 -0.031 0.000 1.030 478 E CA 0.074 56.420 56.400 -0.090 0.000 0.869 478 E CB 0.138 29.692 29.700 -0.244 0.000 0.857 478 E HN 0.325 nan 8.360 nan 0.000 0.505 479 Q N 1.552 121.321 119.800 -0.053 0.000 2.354 479 Q HA -0.080 4.261 4.340 0.001 0.000 0.310 479 Q C -0.170 175.564 176.000 -0.443 0.000 1.104 479 Q CA 0.465 55.881 55.803 -0.645 0.000 0.968 479 Q CB 0.624 28.954 28.738 -0.681 0.000 1.251 479 Q HN -0.299 nan 8.270 nan 0.000 0.411 480 K N 3.682 123.763 120.400 -0.531 0.000 2.090 480 K HA 0.195 4.516 4.320 0.001 0.000 0.250 480 K C -1.843 174.572 176.600 -0.308 0.000 1.004 480 K CA -2.081 54.010 56.287 -0.327 0.000 0.919 480 K CB 0.399 32.719 32.500 -0.299 0.000 1.045 480 K HN 0.479 nan 8.250 nan 0.000 0.471 481 P HA -0.207 nan 4.420 nan 0.000 0.216 481 P C 0.454 177.663 177.300 -0.152 0.000 1.157 481 P CA 1.552 64.563 63.100 -0.149 0.000 0.880 481 P CB 0.134 31.773 31.700 -0.103 0.000 0.791 482 D N -1.954 118.339 120.400 -0.179 0.000 2.352 482 D HA 0.027 4.668 4.640 0.001 0.000 0.232 482 D C 1.247 177.411 176.300 -0.227 0.000 1.055 482 D CA 0.835 54.764 54.000 -0.118 0.000 0.891 482 D CB -0.871 39.913 40.800 -0.026 0.000 0.897 482 D HN 0.285 nan 8.370 nan 0.000 0.529 483 G N 0.587 109.170 108.800 -0.362 0.000 2.143 483 G HA2 -0.281 3.679 3.960 0.001 0.000 0.249 483 G HA3 -0.281 3.679 3.960 0.001 0.000 0.249 483 G C 0.324 174.778 174.900 -0.743 0.000 0.981 483 G CA 0.478 45.299 45.100 -0.466 0.000 0.665 483 G HN 0.771 nan 8.290 nan 0.000 0.528 484 S N -0.962 114.201 115.700 -0.896 0.000 2.722 484 S HA 0.826 5.297 4.470 0.001 0.000 0.292 484 S C -0.367 173.854 174.600 -0.632 0.000 1.135 484 S CA -0.874 56.764 58.200 -0.937 0.000 1.003 484 S CB 1.958 64.267 63.200 -1.485 0.000 1.067 484 S HN 0.506 nan 8.310 nan 0.000 0.546 485 W N 1.006 122.189 121.300 -0.196 0.000 2.683 485 W HA 0.401 5.062 4.660 0.001 0.000 0.329 485 W C -0.646 175.844 176.519 -0.049 0.000 1.037 485 W CA -1.613 55.686 57.345 -0.077 0.000 1.232 485 W CB 1.530 30.906 29.460 -0.140 0.000 1.390 485 W HN 0.758 nan 8.180 nan 0.000 0.465 486 F N 2.268 122.236 119.950 0.030 0.000 2.629 486 F HA 0.310 4.837 4.527 0.001 0.000 0.369 486 F C 0.824 176.504 175.800 -0.199 0.000 1.125 486 F CA 0.793 58.619 58.000 -0.290 0.000 1.330 486 F CB 0.638 39.572 39.000 -0.109 0.000 1.071 486 F HN 0.282 nan 8.300 nan 0.000 0.595 487 G N 5.725 113.925 108.800 -1.001 0.000 2.547 487 G HA2 0.339 4.299 3.960 0.001 0.000 0.327 487 G HA3 0.339 4.299 3.960 0.001 0.000 0.327 487 G C 0.400 174.851 174.900 -0.749 0.000 1.118 487 G CA -0.633 44.139 45.100 -0.546 0.000 1.022 487 G HN 0.794 nan 8.290 nan 0.000 0.464 488 R N 2.376 122.592 120.500 -0.473 0.000 2.066 488 R HA -0.007 4.334 4.340 0.001 0.000 0.232 488 R C 0.774 176.759 176.300 -0.525 0.000 1.131 488 R CA 1.334 57.162 56.100 -0.454 0.000 0.955 488 R CB -0.176 29.985 30.300 -0.232 0.000 0.851 488 R HN 0.623 nan 8.270 nan 0.000 0.432 489 W N -0.408 120.874 121.300 -0.030 0.000 3.067 489 W HA 0.547 5.208 4.660 0.001 0.000 0.417 489 W C -0.177 176.198 176.519 -0.240 0.000 1.029 489 W CA 0.004 57.293 57.345 -0.093 0.000 1.992 489 W CB 0.839 30.247 29.460 -0.087 0.000 1.122 489 W HN 0.213 nan 8.180 nan 0.000 0.681 490 G N 0.084 108.759 108.800 -0.209 0.000 2.728 490 G HA2 0.350 4.310 3.960 0.001 0.000 0.294 490 G HA3 0.350 4.310 3.960 0.001 0.000 0.294 490 G C -1.277 173.486 174.900 -0.229 0.000 1.398 490 G CA -0.851 43.784 45.100 -0.775 0.000 1.183 490 G HN -0.198 nan 8.290 nan 0.000 0.578 491 V N 3.106 123.065 119.914 0.076 0.000 2.416 491 V HA 0.170 4.291 4.120 0.001 0.000 0.267 491 V C 0.677 176.889 176.094 0.197 0.000 1.007 491 V CA 0.593 63.012 62.300 0.199 0.000 1.102 491 V CB 0.197 32.167 31.823 0.246 0.000 1.035 491 V HN 0.865 nan 8.190 nan 0.000 0.473 492 N N 3.670 122.411 118.700 0.068 0.000 2.796 492 N HA 0.037 4.777 4.740 0.001 0.000 0.334 492 N C 1.060 176.385 175.510 -0.307 0.000 1.095 492 N CA 0.044 52.937 53.050 -0.262 0.000 1.617 492 N CB -0.131 37.989 38.487 -0.612 0.000 0.807 492 N HN 0.252 nan 8.380 nan 0.000 1.462 493 Y N 1.949 122.220 120.300 -0.049 0.000 2.314 493 Y HA 0.271 4.822 4.550 0.001 0.000 0.293 493 Y C 2.279 178.181 175.900 0.003 0.000 1.129 493 Y CA 0.816 58.867 58.100 -0.082 0.000 1.201 493 Y CB -0.123 38.246 38.460 -0.152 0.000 0.999 493 Y HN 0.154 nan 8.280 nan 0.000 0.541 494 L N -1.625 119.788 121.223 0.317 0.000 2.093 494 L HA -0.238 4.102 4.340 0.001 0.000 0.208 494 L C 2.272 179.223 176.870 0.135 0.000 1.085 494 L CA 1.282 56.307 54.840 0.309 0.000 0.755 494 L CB -0.520 41.743 42.059 0.340 0.000 0.904 494 L HN 0.255 nan 8.230 nan 0.000 0.435 495 Y N 0.521 120.739 120.300 -0.136 0.000 2.133 495 Y HA -0.140 4.410 4.550 0.001 0.000 0.287 495 Y C 2.247 177.820 175.900 -0.545 0.000 1.134 495 Y CA 1.511 59.190 58.100 -0.701 0.000 1.133 495 Y CB -0.771 37.194 38.460 -0.824 0.000 0.987 495 Y HN 0.044 nan 8.280 nan 0.000 0.502 496 G N -1.200 107.331 108.800 -0.448 0.000 2.414 496 G HA2 -0.222 3.739 3.960 0.001 0.000 0.215 496 G HA3 -0.222 3.739 3.960 0.001 0.000 0.215 496 G C 1.660 176.401 174.900 -0.265 0.000 1.188 496 G CA 1.402 46.242 45.100 -0.432 0.000 0.783 496 G HN 0.413 nan 8.290 nan 0.000 0.537 497 T N 1.093 115.610 114.554 -0.060 0.000 2.759 497 T HA -0.070 4.281 4.350 0.001 0.000 0.269 497 T C 2.456 177.123 174.700 -0.056 0.000 1.042 497 T CA 1.503 63.657 62.100 0.090 0.000 1.140 497 T CB -0.548 68.366 68.868 0.076 0.000 0.864 497 T HN 0.361 nan 8.240 nan 0.000 0.455 498 G N 1.092 109.799 108.800 -0.154 0.000 2.418 498 G HA2 -0.046 3.915 3.960 0.001 0.000 0.217 498 G HA3 -0.046 3.915 3.960 0.001 0.000 0.217 498 G C 1.793 176.535 174.900 -0.264 0.000 1.158 498 G CA 0.949 45.937 45.100 -0.186 0.000 0.771 498 G HN 0.586 nan 8.290 nan 0.000 0.545 499 A N 0.250 122.807 122.820 -0.437 0.000 1.835 499 A HA 0.043 4.364 4.320 0.001 0.000 0.215 499 A C 2.612 179.977 177.584 -0.364 0.000 1.199 499 A CA 2.091 53.870 52.037 -0.431 0.000 0.615 499 A CB -1.010 17.572 19.000 -0.697 0.000 0.838 499 A HN 0.281 nan 8.150 nan 0.000 0.444 500 V N -0.153 119.474 119.914 -0.478 0.000 2.215 500 V HA -0.327 3.793 4.120 0.001 0.000 0.249 500 V C 2.593 178.429 176.094 -0.431 0.000 1.054 500 V CA 2.395 64.325 62.300 -0.616 0.000 1.012 500 V CB -1.203 29.873 31.823 -1.245 0.000 0.639 500 V HN 0.387 nan 8.190 nan 0.000 0.448 501 V N -0.283 119.445 119.914 -0.310 0.000 2.250 501 V HA -0.342 3.778 4.120 0.001 0.000 0.250 501 V C 2.684 178.695 176.094 -0.139 0.000 1.060 501 V CA 2.630 64.832 62.300 -0.163 0.000 1.030 501 V CB -1.047 30.743 31.823 -0.055 0.000 0.643 501 V HN 0.638 nan 8.190 nan 0.000 0.445 502 S N -0.532 115.091 115.700 -0.128 0.000 2.374 502 S HA -0.250 4.221 4.470 0.001 0.000 0.227 502 S C 2.076 176.605 174.600 -0.118 0.000 1.037 502 S CA 1.912 60.058 58.200 -0.091 0.000 1.024 502 S CB -0.412 62.755 63.200 -0.055 0.000 0.861 502 S HN 0.663 nan 8.310 nan 0.000 0.456 503 A N 1.618 124.341 122.820 -0.163 0.000 1.835 503 A HA 0.032 4.352 4.320 0.001 0.000 0.215 503 A C 2.234 179.732 177.584 -0.143 0.000 1.199 503 A CA 1.607 53.536 52.037 -0.180 0.000 0.615 503 A CB -1.110 17.761 19.000 -0.214 0.000 0.838 503 A HN 0.564 nan 8.150 nan 0.000 0.444 504 L N -0.524 120.611 121.223 -0.148 0.000 2.089 504 L HA -0.261 4.080 4.340 0.001 0.000 0.213 504 L C 2.712 179.550 176.870 -0.054 0.000 1.079 504 L CA 1.797 56.586 54.840 -0.086 0.000 0.758 504 L CB -0.531 41.467 42.059 -0.102 0.000 0.891 504 L HN 0.358 nan 8.230 nan 0.000 0.433 505 K N 0.723 121.081 120.400 -0.070 0.000 2.026 505 K HA -0.160 4.161 4.320 0.001 0.000 0.208 505 K C 2.050 178.626 176.600 -0.041 0.000 1.048 505 K CA 1.820 58.079 56.287 -0.046 0.000 0.929 505 K CB -0.266 32.206 32.500 -0.047 0.000 0.713 505 K HN 0.288 nan 8.250 nan 0.000 0.439 506 A N 0.720 123.497 122.820 -0.072 0.000 2.015 506 A HA -0.084 4.237 4.320 0.001 0.000 0.219 506 A C 1.777 179.339 177.584 -0.036 0.000 1.163 506 A CA 1.495 53.480 52.037 -0.086 0.000 0.646 506 A CB -0.394 18.495 19.000 -0.185 0.000 0.806 506 A HN 0.197 nan 8.150 nan 0.000 0.448 507 V N -3.640 116.271 119.914 -0.004 0.000 3.337 507 V HA 0.556 4.677 4.120 0.001 0.000 0.343 507 V C 1.237 177.377 176.094 0.076 0.000 1.302 507 V CA 0.434 62.774 62.300 0.067 0.000 1.268 507 V CB -1.101 30.780 31.823 0.097 0.000 1.185 507 V HN 1.271 nan 8.190 nan 0.000 0.447 508 G N 0.396 109.224 108.800 0.047 0.000 2.245 508 G HA2 -0.260 3.701 3.960 0.001 0.000 0.264 508 G HA3 -0.260 3.701 3.960 0.001 0.000 0.264 508 G C 0.199 175.131 174.900 0.052 0.000 0.985 508 G CA 0.289 45.419 45.100 0.050 0.000 0.625 508 G HN 0.503 nan 8.290 nan 0.000 0.536 509 I N 1.390 121.995 120.570 0.058 0.000 3.205 509 I HA 0.116 4.287 4.170 0.001 0.000 0.287 509 I C 0.691 176.839 176.117 0.052 0.000 1.266 509 I CA -0.013 61.331 61.300 0.073 0.000 1.378 509 I CB 0.117 38.170 38.000 0.089 0.000 1.347 509 I HN 0.236 nan 8.210 nan 0.000 0.603 510 D N 1.764 122.205 120.400 0.067 0.000 2.347 510 D HA 0.134 4.775 4.640 0.001 0.000 0.235 510 D C 1.298 177.610 176.300 0.019 0.000 1.149 510 D CA -0.194 53.834 54.000 0.047 0.000 0.850 510 D CB 0.825 41.662 40.800 0.062 0.000 1.061 510 D HN 0.653 nan 8.370 nan 0.000 0.487 511 T N 1.350 115.904 114.554 -0.001 0.000 2.946 511 T HA -0.240 4.111 4.350 0.001 0.000 0.271 511 T C 1.726 176.413 174.700 -0.023 0.000 1.104 511 T CA 0.799 62.883 62.100 -0.027 0.000 1.114 511 T CB -0.079 68.781 68.868 -0.013 0.000 0.867 511 T HN 0.386 nan 8.240 nan 0.000 0.513 512 R N 0.797 121.301 120.500 0.006 0.000 2.240 512 R HA 0.063 4.403 4.340 0.001 0.000 0.203 512 R C 0.412 176.731 176.300 0.033 0.000 1.011 512 R CA 0.029 56.140 56.100 0.019 0.000 1.007 512 R CB 0.022 30.340 30.300 0.031 0.000 0.911 512 R HN 0.452 nan 8.270 nan 0.000 0.468 513 E N 0.805 121.034 120.200 0.050 0.000 2.521 513 E HA -0.128 4.222 4.350 0.001 0.000 0.270 513 E C -1.869 174.800 176.600 0.115 0.000 1.082 513 E CA -0.669 55.808 56.400 0.130 0.000 0.997 513 E CB 0.241 30.111 29.700 0.282 0.000 0.990 513 E HN 0.119 nan 8.360 nan 0.000 0.458 514 P HA -0.186 nan 4.420 nan 0.000 0.211 514 P C 1.451 178.852 177.300 0.169 0.000 1.179 514 P CA 1.711 64.904 63.100 0.154 0.000 0.910 514 P CB -0.279 31.510 31.700 0.149 0.000 0.785 515 Y N -0.769 119.547 120.300 0.028 0.000 2.241 515 Y HA -0.178 4.373 4.550 0.001 0.000 0.286 515 Y C 1.840 177.774 175.900 0.055 0.000 1.166 515 Y CA 0.710 58.819 58.100 0.015 0.000 1.203 515 Y CB -2.023 36.454 38.460 0.027 0.000 0.977 515 Y HN -0.099 nan 8.280 nan 0.000 0.529 516 I N 0.605 120.857 120.570 -0.530 0.000 2.163 516 I HA -0.218 3.953 4.170 0.001 0.000 0.240 516 I C 2.422 178.473 176.117 -0.109 0.000 1.081 516 I CA 1.273 62.340 61.300 -0.388 0.000 1.353 516 I CB -1.409 36.364 38.000 -0.379 0.000 1.054 516 I HN 0.295 nan 8.210 nan 0.000 0.407 517 Q N 0.910 120.677 119.800 -0.055 0.000 2.112 517 Q HA -0.249 4.091 4.340 0.001 0.000 0.206 517 Q C 2.188 178.209 176.000 0.034 0.000 0.987 517 Q CA 1.469 57.277 55.803 0.008 0.000 0.858 517 Q CB -0.557 28.196 28.738 0.026 0.000 0.905 517 Q HN 0.497 nan 8.270 nan 0.000 0.420 518 K N 0.047 120.463 120.400 0.027 0.000 2.280 518 K HA -0.086 4.234 4.320 0.001 0.000 0.202 518 K C 1.772 178.400 176.600 0.047 0.000 1.047 518 K CA 0.936 57.246 56.287 0.038 0.000 0.942 518 K CB 0.079 32.589 32.500 0.017 0.000 0.739 518 K HN 0.165 nan 8.250 nan 0.000 0.457 519 A N 0.661 123.495 122.820 0.023 0.000 1.861 519 A HA 0.003 4.324 4.320 0.001 0.000 0.212 519 A C 1.929 179.626 177.584 0.188 0.000 1.199 519 A CA 0.559 52.630 52.037 0.057 0.000 0.613 519 A CB -0.462 18.576 19.000 0.063 0.000 0.846 519 A HN 0.223 nan 8.150 nan 0.000 0.446 520 L N 0.236 121.536 121.223 0.128 0.000 2.081 520 L HA -0.251 4.090 4.340 0.001 0.000 0.212 520 L C 2.079 179.050 176.870 0.168 0.000 1.080 520 L CA 1.740 56.659 54.840 0.132 0.000 0.754 520 L CB -0.650 41.457 42.059 0.079 0.000 0.893 520 L HN 0.295 nan 8.230 nan 0.000 0.433 521 D N -1.061 119.434 120.400 0.157 0.000 2.092 521 D HA -0.257 4.384 4.640 0.001 0.000 0.193 521 D C 1.774 178.201 176.300 0.211 0.000 0.994 521 D CA 1.212 55.303 54.000 0.152 0.000 0.828 521 D CB -0.362 40.511 40.800 0.122 0.000 0.963 521 D HN 0.441 nan 8.370 nan 0.000 0.450 522 W N 1.451 122.795 121.300 0.073 0.000 2.325 522 W HA -0.258 4.402 4.660 0.001 0.000 0.299 522 W C 2.035 178.680 176.519 0.210 0.000 1.215 522 W CA 1.473 58.890 57.345 0.120 0.000 1.244 522 W CB -0.275 29.201 29.460 0.026 0.000 1.140 522 W HN -0.210 nan 8.180 nan 0.000 0.523 523 V N 0.987 121.108 119.914 0.346 0.000 2.223 523 V HA -0.334 3.787 4.120 0.001 0.000 0.244 523 V C 2.228 178.498 176.094 0.295 0.000 1.045 523 V CA 2.468 64.885 62.300 0.195 0.000 1.000 523 V CB -1.192 30.716 31.823 0.142 0.000 0.635 523 V HN 0.169 nan 8.190 nan 0.000 0.445 524 E N -0.207 120.160 120.200 0.277 0.000 2.136 524 E HA -0.355 3.995 4.350 0.001 0.000 0.202 524 E C 2.222 178.897 176.600 0.125 0.000 1.019 524 E CA 1.773 58.337 56.400 0.273 0.000 0.819 524 E CB -0.269 29.527 29.700 0.159 0.000 0.739 524 E HN 0.656 nan 8.360 nan 0.000 0.458 525 Q N -0.480 119.345 119.800 0.041 0.000 2.368 525 Q HA -0.158 4.183 4.340 0.001 0.000 0.210 525 Q C 0.822 176.644 176.000 -0.297 0.000 0.982 525 Q CA 1.001 56.729 55.803 -0.124 0.000 0.884 525 Q CB 0.012 28.654 28.738 -0.160 0.000 0.933 525 Q HN 0.429 nan 8.270 nan 0.000 0.460 526 H N -1.316 117.616 119.070 -0.231 0.000 2.592 526 H HA 0.162 4.719 4.556 0.001 0.000 0.279 526 H C -0.369 174.792 175.328 -0.278 0.000 1.089 526 H CA -0.284 55.619 56.048 -0.242 0.000 1.150 526 H CB 0.335 29.894 29.762 -0.339 0.000 1.575 526 H HN 0.115 nan 8.280 nan 0.000 0.547 527 Q N 1.684 121.248 119.800 -0.393 0.000 2.286 527 Q HA -0.012 4.329 4.340 0.001 0.000 0.290 527 Q C -0.240 175.405 176.000 -0.592 0.000 1.049 527 Q CA -0.215 54.945 55.803 -1.071 0.000 0.923 527 Q CB 0.512 28.642 28.738 -1.013 0.000 1.183 527 Q HN 0.340 nan 8.270 nan 0.000 0.383 528 N N 4.332 122.706 118.700 -0.543 0.000 2.424 528 N HA 0.083 4.823 4.740 0.001 0.000 0.257 528 N C -1.895 173.477 175.510 -0.230 0.000 1.250 528 N CA -1.386 51.496 53.050 -0.280 0.000 0.946 528 N CB 0.381 38.764 38.487 -0.173 0.000 1.175 528 N HN 0.484 nan 8.380 nan 0.000 0.477 529 P HA -0.149 nan 4.420 nan 0.000 0.215 529 P C 0.135 177.394 177.300 -0.068 0.000 1.157 529 P CA 1.432 64.474 63.100 -0.098 0.000 0.874 529 P CB -0.014 31.648 31.700 -0.063 0.000 0.790 530 D N -1.938 118.450 120.400 -0.021 0.000 2.379 530 D HA 0.054 4.695 4.640 0.001 0.000 0.243 530 D C 1.419 177.786 176.300 0.113 0.000 1.088 530 D CA 0.866 54.902 54.000 0.060 0.000 0.925 530 D CB -1.114 39.772 40.800 0.143 0.000 0.888 530 D HN 0.274 nan 8.370 nan 0.000 0.529 531 G N -1.297 107.473 108.800 -0.050 0.000 2.304 531 G HA2 -0.228 3.732 3.960 0.001 0.000 0.252 531 G HA3 -0.228 3.732 3.960 0.001 0.000 0.252 531 G C 0.677 175.412 174.900 -0.275 0.000 1.014 531 G CA 0.127 45.158 45.100 -0.114 0.000 0.619 531 G HN 0.867 nan 8.290 nan 0.000 0.525 532 G N -1.643 107.018 108.800 -0.231 0.000 2.557 532 G HA2 0.535 4.496 3.960 0.001 0.000 0.302 532 G HA3 0.535 4.496 3.960 0.001 0.000 0.302 532 G C -0.286 174.330 174.900 -0.474 0.000 1.311 532 G CA -0.526 44.244 45.100 -0.550 0.000 1.030 532 G HN 0.276 nan 8.290 nan 0.000 0.509 533 W N -1.336 119.761 121.300 -0.338 0.000 2.799 533 W HA 0.626 5.286 4.660 0.001 0.000 0.349 533 W C 0.030 176.445 176.519 -0.174 0.000 1.100 533 W CA -0.637 56.598 57.345 -0.183 0.000 1.174 533 W CB 2.498 31.887 29.460 -0.117 0.000 1.427 533 W HN 0.840 nan 8.180 nan 0.000 0.547 534 G N 1.208 110.102 108.800 0.156 0.000 2.755 534 G HA2 0.439 4.399 3.960 0.001 0.000 0.297 534 G HA3 0.439 4.399 3.960 0.001 0.000 0.297 534 G C -2.205 172.752 174.900 0.095 0.000 1.441 534 G CA -0.619 44.518 45.100 0.062 0.000 0.964 534 G HN 0.344 nan 8.290 nan 0.000 0.540 535 E N 1.022 121.267 120.200 0.076 0.000 2.260 535 E HA 0.399 4.750 4.350 0.001 0.000 0.266 535 E C -1.405 175.192 176.600 -0.004 0.000 0.887 535 E CA -0.672 55.786 56.400 0.096 0.000 0.777 535 E CB 2.129 31.931 29.700 0.170 0.000 1.205 535 E HN 0.429 nan 8.360 nan 0.000 0.414 536 D N 2.369 122.730 120.400 -0.064 0.000 2.313 536 D HA 0.099 4.739 4.640 0.001 0.000 0.247 536 D C 0.466 176.591 176.300 -0.290 0.000 1.094 536 D CA -0.441 53.429 54.000 -0.217 0.000 0.925 536 D CB 1.002 41.605 40.800 -0.328 0.000 1.188 536 D HN 0.515 nan 8.370 nan 0.000 0.430 537 C N 1.912 120.912 119.300 -0.499 0.000 2.443 537 C HA -0.013 4.448 4.460 0.001 0.000 0.290 537 C C 2.231 176.879 174.990 -0.571 0.000 1.476 537 C CA 0.190 58.750 59.018 -0.764 0.000 1.772 537 C CB -1.263 25.329 27.740 -1.913 0.000 1.714 537 C HN 0.603 nan 8.230 nan 0.000 0.562 538 R N 1.347 121.567 120.500 -0.466 0.000 2.189 538 R HA -0.084 4.256 4.340 0.001 0.000 0.218 538 R C 2.168 178.460 176.300 -0.015 0.000 1.074 538 R CA 1.456 57.408 56.100 -0.246 0.000 0.991 538 R CB -0.305 29.640 30.300 -0.592 0.000 0.883 538 R HN 0.700 nan 8.270 nan 0.000 0.457 539 S N -0.368 115.310 115.700 -0.037 0.000 2.571 539 S HA -0.137 4.334 4.470 0.001 0.000 0.245 539 S C 1.107 175.735 174.600 0.047 0.000 0.976 539 S CA 0.788 59.041 58.200 0.089 0.000 0.954 539 S CB -0.258 62.986 63.200 0.073 0.000 0.756 539 S HN 0.338 nan 8.310 nan 0.000 0.535 540 Y N 1.103 121.521 120.300 0.196 0.000 2.503 540 Y HA 0.314 4.865 4.550 0.001 0.000 0.277 540 Y C 2.514 178.545 175.900 0.219 0.000 1.102 540 Y CA 0.268 58.519 58.100 0.251 0.000 1.261 540 Y CB 0.149 38.772 38.460 0.271 0.000 1.096 540 Y HN 0.255 nan 8.280 nan 0.000 0.546 541 E N -0.121 120.272 120.200 0.322 0.000 2.099 541 E HA -0.019 4.331 4.350 0.001 0.000 0.191 541 E C -0.148 176.582 176.600 0.217 0.000 0.962 541 E CA 0.784 57.335 56.400 0.252 0.000 0.826 541 E CB 0.081 29.922 29.700 0.236 0.000 0.788 541 E HN 0.313 nan 8.360 nan 0.000 0.461 542 D N 0.769 121.312 120.400 0.239 0.000 2.549 542 D HA 0.104 4.745 4.640 0.001 0.000 0.251 542 D C -1.871 174.564 176.300 0.226 0.000 1.153 542 D CA -2.116 52.017 54.000 0.222 0.000 0.861 542 D CB 2.088 43.036 40.800 0.248 0.000 1.207 542 D HN -0.272 nan 8.370 nan 0.000 0.543 543 P HA -0.241 nan 4.420 nan 0.000 0.216 543 P C 1.222 178.574 177.300 0.086 0.000 1.150 543 P CA 1.244 64.411 63.100 0.111 0.000 0.843 543 P CB 0.086 31.821 31.700 0.059 0.000 0.787 544 A N -1.425 121.419 122.820 0.039 0.000 2.139 544 A HA -0.192 4.129 4.320 0.001 0.000 0.221 544 A C 1.809 179.330 177.584 -0.105 0.000 1.159 544 A CA 1.218 53.219 52.037 -0.060 0.000 0.662 544 A CB -1.610 17.302 19.000 -0.146 0.000 0.796 544 A HN 0.176 nan 8.150 nan 0.000 0.463 545 Y N -0.684 119.658 120.300 0.070 0.000 2.482 545 Y HA 0.426 4.976 4.550 0.001 0.000 0.270 545 Y C 1.586 177.549 175.900 0.104 0.000 1.152 545 Y CA -0.404 57.740 58.100 0.073 0.000 1.292 545 Y CB -0.215 38.281 38.460 0.060 0.000 1.070 545 Y HN 0.286 nan 8.280 nan 0.000 0.528 546 A N 0.378 123.349 122.820 0.251 0.000 2.537 546 A HA 0.365 4.686 4.320 0.001 0.000 0.260 546 A C 1.642 179.385 177.584 0.264 0.000 1.082 546 A CA 0.955 53.134 52.037 0.238 0.000 0.765 546 A CB -1.093 17.877 19.000 -0.050 0.000 1.019 546 A HN 0.907 nan 8.150 nan 0.000 0.507 547 G N 2.083 111.056 108.800 0.289 0.000 2.162 547 G HA2 -0.248 3.713 3.960 0.001 0.000 0.260 547 G HA3 -0.248 3.713 3.960 0.001 0.000 0.260 547 G C 0.190 175.233 174.900 0.238 0.000 0.976 547 G CA 0.916 46.105 45.100 0.149 0.000 0.655 547 G HN 0.836 nan 8.290 nan 0.000 0.533 548 K N -0.002 120.549 120.400 0.252 0.000 2.270 548 K HA 0.665 4.986 4.320 0.001 0.000 0.255 548 K C 0.342 177.063 176.600 0.202 0.000 0.936 548 K CA 0.073 56.485 56.287 0.209 0.000 0.809 548 K CB 1.952 34.557 32.500 0.175 0.000 1.131 548 K HN 1.006 nan 8.250 nan 0.000 0.427 549 G N 0.589 109.451 108.800 0.104 0.000 2.352 549 G HA2 0.320 4.281 3.960 0.001 0.000 0.302 549 G HA3 0.320 4.281 3.960 0.001 0.000 0.302 549 G C -1.555 173.306 174.900 -0.065 0.000 1.370 549 G CA -0.661 44.446 45.100 0.010 0.000 0.918 549 G HN 0.637 nan 8.290 nan 0.000 0.610 550 A N 0.418 123.122 122.820 -0.192 0.000 2.540 550 A HA 0.558 4.879 4.320 0.001 0.000 0.239 550 A C 1.102 178.643 177.584 -0.071 0.000 1.061 550 A CA 0.986 52.934 52.037 -0.147 0.000 0.758 550 A CB -0.132 18.691 19.000 -0.296 0.000 0.991 550 A HN 1.704 nan 8.150 nan 0.000 0.502 551 S N 1.160 116.878 115.700 0.030 0.000 2.549 551 S HA 0.423 4.894 4.470 0.001 0.000 0.286 551 S C 0.736 175.389 174.600 0.088 0.000 1.314 551 S CA 0.461 58.657 58.200 -0.007 0.000 1.062 551 S CB 0.310 63.464 63.200 -0.076 0.000 0.865 551 S HN 1.069 nan 8.310 nan 0.000 0.498 552 T N 0.594 115.136 114.554 -0.020 0.000 2.907 552 T HA 0.501 4.852 4.350 0.001 0.000 0.292 552 T C -2.631 172.008 174.700 -0.101 0.000 1.043 552 T CA -2.188 59.941 62.100 0.049 0.000 1.003 552 T CB 1.752 70.643 68.868 0.039 0.000 1.084 552 T HN 0.109 nan 8.240 nan 0.000 0.483 553 P HA -0.130 nan 4.420 nan 0.000 0.216 553 P C 1.934 178.995 177.300 -0.399 0.000 1.153 553 P CA 1.521 64.486 63.100 -0.225 0.000 0.848 553 P CB -0.004 31.535 31.700 -0.269 0.000 0.787 554 S N -0.278 115.167 115.700 -0.425 0.000 2.338 554 S HA -0.233 4.238 4.470 0.001 0.000 0.218 554 S C 2.077 175.930 174.600 -1.244 0.000 1.032 554 S CA 1.065 58.790 58.200 -0.791 0.000 0.999 554 S CB -1.603 61.141 63.200 -0.761 0.000 0.905 554 S HN 0.159 nan 8.310 nan 0.000 0.439 555 Q N 0.680 119.923 119.800 -0.929 0.000 2.181 555 Q HA -0.074 4.267 4.340 0.001 0.000 0.205 555 Q C 2.328 178.175 176.000 -0.255 0.000 0.980 555 Q CA 1.783 57.279 55.803 -0.511 0.000 0.862 555 Q CB -0.646 28.016 28.738 -0.127 0.000 0.905 555 Q HN 0.630 nan 8.270 nan 0.000 0.429 556 T N 0.667 115.063 114.554 -0.264 0.000 2.737 556 T HA -0.133 4.218 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 1.203 63.231 62.100 -0.121 0.000 1.144 556 T CB -0.299 68.420 68.868 -0.249 0.000 0.866 556 T HN 0.419 nan 8.240 nan 0.000 0.434 557 A N 0.790 123.429 122.820 -0.301 0.000 1.978 557 A HA -0.117 4.203 4.320 0.001 0.000 0.220 557 A C 2.090 179.611 177.584 -0.105 0.000 1.170 557 A CA 1.272 53.173 52.037 -0.227 0.000 0.636 557 A CB -0.838 18.014 19.000 -0.247 0.000 0.810 557 A HN 0.579 nan 8.150 nan 0.000 0.448 558 W N -0.557 120.594 121.300 -0.249 0.000 2.407 558 W HA 0.060 4.720 4.660 0.001 0.000 0.305 558 W C 2.801 179.134 176.519 -0.311 0.000 1.196 558 W CA 0.609 57.794 57.345 -0.267 0.000 1.311 558 W CB -1.281 28.029 29.460 -0.249 0.000 1.135 558 W HN 0.416 nan 8.180 nan 0.000 0.514 559 A N -0.172 122.502 122.820 -0.244 0.000 1.972 559 A HA -0.124 4.197 4.320 0.001 0.000 0.219 559 A C 2.042 179.278 177.584 -0.579 0.000 1.169 559 A CA 1.283 52.929 52.037 -0.652 0.000 0.635 559 A CB -0.797 17.198 19.000 -1.676 0.000 0.810 559 A HN 0.143 nan 8.150 nan 0.000 0.446 560 L N -0.716 120.251 121.223 -0.427 0.000 2.017 560 L HA -0.117 4.224 4.340 0.001 0.000 0.208 560 L C 2.720 179.519 176.870 -0.119 0.000 1.073 560 L CA 1.895 56.590 54.840 -0.241 0.000 0.745 560 L CB -0.603 41.362 42.059 -0.157 0.000 0.894 560 L HN 0.404 nan 8.230 nan 0.000 0.432 561 M N -1.733 117.826 119.600 -0.069 0.000 2.159 561 M HA -0.206 4.275 4.480 0.001 0.000 0.263 561 M C 2.288 178.567 176.300 -0.035 0.000 1.063 561 M CA 1.670 56.962 55.300 -0.014 0.000 1.110 561 M CB -0.564 32.057 32.600 0.037 0.000 1.374 561 M HN 0.325 nan 8.290 nan 0.000 0.411 562 A N 0.707 123.484 122.820 -0.072 0.000 1.877 562 A HA -0.111 4.209 4.320 0.001 0.000 0.216 562 A C 2.110 179.672 177.584 -0.037 0.000 1.186 562 A CA 1.358 53.360 52.037 -0.058 0.000 0.620 562 A CB -0.849 18.114 19.000 -0.062 0.000 0.822 562 A HN 0.441 nan 8.150 nan 0.000 0.443 563 L N -0.492 120.696 121.223 -0.058 0.000 2.056 563 L HA -0.149 4.192 4.340 0.001 0.000 0.207 563 L C 2.502 179.387 176.870 0.025 0.000 1.078 563 L CA 1.153 55.988 54.840 -0.008 0.000 0.749 563 L CB -0.521 41.532 42.059 -0.009 0.000 0.901 563 L HN 0.374 nan 8.230 nan 0.000 0.433 564 I N -0.026 120.560 120.570 0.027 0.000 2.226 564 I HA -0.297 3.874 4.170 0.001 0.000 0.245 564 I C 2.807 178.946 176.117 0.038 0.000 1.100 564 I CA 1.216 62.553 61.300 0.062 0.000 1.374 564 I CB -0.515 37.531 38.000 0.077 0.000 1.057 564 I HN 0.224 nan 8.210 nan 0.000 0.413 565 A N 0.947 123.776 122.820 0.015 0.000 1.873 565 A HA -0.091 4.230 4.320 0.001 0.000 0.215 565 A C 2.292 179.876 177.584 0.000 0.000 1.186 565 A CA 1.710 53.747 52.037 0.001 0.000 0.616 565 A CB -1.319 17.670 19.000 -0.020 0.000 0.823 565 A HN 0.455 nan 8.150 nan 0.000 0.442 566 G N -1.977 106.825 108.800 0.003 0.000 2.990 566 G HA2 0.334 4.295 3.960 0.001 0.000 0.206 566 G HA3 0.334 4.295 3.960 0.001 0.000 0.206 566 G C 1.233 176.145 174.900 0.020 0.000 1.169 566 G CA 0.734 45.837 45.100 0.005 0.000 0.819 566 G HN 1.656 nan 8.290 nan 0.000 0.517 567 G N 0.409 109.225 108.800 0.027 0.000 2.320 567 G HA2 -0.321 3.640 3.960 0.001 0.000 0.242 567 G HA3 -0.321 3.640 3.960 0.001 0.000 0.242 567 G C 1.154 176.085 174.900 0.052 0.000 1.033 567 G CA 0.282 45.403 45.100 0.036 0.000 0.620 567 G HN 0.561 nan 8.290 nan 0.000 0.517 568 R N 1.131 121.665 120.500 0.057 0.000 2.526 568 R HA 0.451 4.792 4.340 0.001 0.000 0.223 568 R C 2.471 178.833 176.300 0.102 0.000 1.250 568 R CA 0.566 56.711 56.100 0.075 0.000 1.227 568 R CB -0.259 30.086 30.300 0.075 0.000 1.109 568 R HN 0.523 nan 8.270 nan 0.000 0.499 569 A N 1.312 124.199 122.820 0.112 0.000 1.933 569 A HA -0.195 4.126 4.320 0.001 0.000 0.218 569 A C 1.611 179.340 177.584 0.241 0.000 1.175 569 A CA 1.073 53.220 52.037 0.183 0.000 0.628 569 A CB -0.079 19.017 19.000 0.160 0.000 0.814 569 A HN 0.381 nan 8.150 nan 0.000 0.444 570 E N 0.272 120.566 120.200 0.157 0.000 2.320 570 E HA 0.250 4.600 4.350 0.001 0.000 0.234 570 E C 0.184 176.862 176.600 0.129 0.000 1.290 570 E CA -0.193 56.295 56.400 0.148 0.000 1.545 570 E CB -0.152 29.601 29.700 0.089 0.000 1.379 570 E HN 0.470 nan 8.360 nan 0.000 0.437 571 S N -0.415 115.369 115.700 0.141 0.000 2.719 571 S HA 0.158 4.628 4.470 0.001 0.000 0.285 571 S C 0.964 175.631 174.600 0.112 0.000 1.137 571 S CA -0.540 57.728 58.200 0.113 0.000 1.012 571 S CB 1.455 64.723 63.200 0.113 0.000 1.134 571 S HN 0.321 nan 8.310 nan 0.000 0.544 572 E N 1.010 121.264 120.200 0.089 0.000 2.024 572 E HA 0.195 4.545 4.350 0.001 0.000 0.190 572 E C 2.083 178.727 176.600 0.074 0.000 0.974 572 E CA 1.757 58.200 56.400 0.071 0.000 0.810 572 E CB -1.003 28.724 29.700 0.046 0.000 0.775 572 E HN 0.644 nan 8.360 nan 0.000 0.453 573 A N 1.325 124.195 122.820 0.084 0.000 1.927 573 A HA -0.215 4.105 4.320 0.001 0.000 0.220 573 A C 2.420 180.127 177.584 0.205 0.000 1.185 573 A CA 2.737 54.842 52.037 0.114 0.000 0.639 573 A CB -1.267 17.852 19.000 0.197 0.000 0.820 573 A HN 0.398 nan 8.150 nan 0.000 0.451 574 A N -0.457 122.473 122.820 0.183 0.000 1.834 574 A HA -0.214 4.107 4.320 0.001 0.000 0.216 574 A C 2.265 179.871 177.584 0.037 0.000 1.203 574 A CA 1.998 54.117 52.037 0.136 0.000 0.621 574 A CB -0.647 18.437 19.000 0.139 0.000 0.841 574 A HN 0.546 nan 8.150 nan 0.000 0.446 575 R N -0.974 119.569 120.500 0.072 0.000 2.159 575 R HA -0.127 4.213 4.340 0.001 0.000 0.237 575 R C 2.350 178.680 176.300 0.048 0.000 1.131 575 R CA 1.087 57.225 56.100 0.063 0.000 0.982 575 R CB -0.167 30.230 30.300 0.161 0.000 0.868 575 R HN 0.401 nan 8.270 nan 0.000 0.453 576 R N -0.557 119.975 120.500 0.054 0.000 2.073 576 R HA -0.080 4.260 4.340 0.001 0.000 0.234 576 R C 2.243 178.573 176.300 0.049 0.000 1.134 576 R CA 1.622 57.740 56.100 0.031 0.000 0.952 576 R CB -0.905 29.381 30.300 -0.024 0.000 0.850 576 R HN 0.400 nan 8.270 nan 0.000 0.433 577 G N 0.363 109.216 108.800 0.087 0.000 2.422 577 G HA2 -0.155 3.806 3.960 0.001 0.000 0.218 577 G HA3 -0.155 3.806 3.960 0.001 0.000 0.218 577 G C 1.553 176.537 174.900 0.140 0.000 1.140 577 G CA 0.664 45.874 45.100 0.185 0.000 0.775 577 G HN 0.162 nan 8.290 nan 0.000 0.545 578 V N 0.397 120.317 119.914 0.011 0.000 2.407 578 V HA -0.217 3.904 4.120 0.001 0.000 0.248 578 V C 2.743 178.909 176.094 0.121 0.000 1.055 578 V CA 2.081 64.359 62.300 -0.037 0.000 1.049 578 V CB -0.515 31.154 31.823 -0.258 0.000 0.662 578 V HN 0.335 nan 8.190 nan 0.000 0.455 579 Q N -0.082 119.793 119.800 0.125 0.000 2.014 579 Q HA -0.266 4.074 4.340 0.001 0.000 0.207 579 Q C 2.110 178.214 176.000 0.174 0.000 0.993 579 Q CA 2.388 58.274 55.803 0.138 0.000 0.850 579 Q CB -0.898 27.900 28.738 0.100 0.000 0.916 579 Q HN 0.687 nan 8.270 nan 0.000 0.417 580 Y N 0.403 120.744 120.300 0.068 0.000 2.062 580 Y HA -0.323 4.227 4.550 0.001 0.000 0.276 580 Y C 1.825 177.826 175.900 0.169 0.000 1.189 580 Y CA 2.333 60.485 58.100 0.087 0.000 1.130 580 Y CB -0.591 37.904 38.460 0.058 0.000 0.959 580 Y HN 0.201 nan 8.280 nan 0.000 0.499 581 L N -1.290 120.255 121.223 0.537 0.000 2.017 581 L HA -0.242 4.099 4.340 0.001 0.000 0.208 581 L C 2.401 179.603 176.870 0.554 0.000 1.073 581 L CA 1.403 56.592 54.840 0.582 0.000 0.745 581 L CB -1.048 41.206 42.059 0.325 0.000 0.894 581 L HN 0.138 nan 8.230 nan 0.000 0.432 582 V N 0.068 120.187 119.914 0.341 0.000 2.332 582 V HA -0.272 3.849 4.120 0.001 0.000 0.248 582 V C 2.398 178.556 176.094 0.106 0.000 1.055 582 V CA 1.933 64.374 62.300 0.235 0.000 1.038 582 V CB -0.588 31.353 31.823 0.197 0.000 0.651 582 V HN 0.494 nan 8.190 nan 0.000 0.450 583 E N 0.648 120.885 120.200 0.062 0.000 2.016 583 E HA -0.162 4.188 4.350 0.001 0.000 0.190 583 E C 2.313 178.864 176.600 -0.081 0.000 0.985 583 E CA 1.688 58.070 56.400 -0.030 0.000 0.802 583 E CB -0.543 29.119 29.700 -0.064 0.000 0.762 583 E HN 0.761 nan 8.360 nan 0.000 0.448 584 T N -0.404 114.088 114.554 -0.103 0.000 2.946 584 T HA -0.220 4.131 4.350 0.001 0.000 0.271 584 T C 1.130 175.752 174.700 -0.130 0.000 1.104 584 T CA 0.487 62.524 62.100 -0.104 0.000 1.114 584 T CB -0.210 68.562 68.868 -0.159 0.000 0.867 584 T HN 0.069 nan 8.240 nan 0.000 0.513 585 Q N 1.263 120.900 119.800 -0.271 0.000 2.386 585 Q HA 0.082 4.423 4.340 0.001 0.000 0.282 585 Q C -0.097 175.579 176.000 -0.539 0.000 1.050 585 Q CA -0.164 55.105 55.803 -0.890 0.000 0.918 585 Q CB 0.524 28.723 28.738 -0.899 0.000 1.266 585 Q HN 0.494 nan 8.270 nan 0.000 0.423 586 R N 3.125 123.273 120.500 -0.586 0.000 2.546 586 R HA 0.179 4.520 4.340 0.001 0.000 0.266 586 R C -1.710 174.397 176.300 -0.323 0.000 1.086 586 R CA -1.722 54.163 56.100 -0.359 0.000 1.160 586 R CB 0.083 30.193 30.300 -0.316 0.000 1.138 586 R HN 0.564 nan 8.270 nan 0.000 0.567 587 P HA -0.173 nan 4.420 nan 0.000 0.216 587 P C 0.387 177.576 177.300 -0.185 0.000 1.150 587 P CA 1.308 64.305 63.100 -0.172 0.000 0.837 587 P CB 0.095 31.722 31.700 -0.121 0.000 0.786 588 D N -1.781 118.482 120.400 -0.228 0.000 2.348 588 D HA -0.009 4.631 4.640 0.001 0.000 0.216 588 D C 1.527 177.633 176.300 -0.323 0.000 0.970 588 D CA 1.277 55.139 54.000 -0.230 0.000 0.889 588 D CB -0.812 39.841 40.800 -0.244 0.000 0.912 588 D HN 0.281 nan 8.370 nan 0.000 0.524 589 G N -0.954 107.594 108.800 -0.421 0.000 2.278 589 G HA2 -0.150 3.810 3.960 0.001 0.000 0.210 589 G HA3 -0.150 3.810 3.960 0.001 0.000 0.210 589 G C 0.732 175.255 174.900 -0.628 0.000 1.000 589 G CA 0.155 45.007 45.100 -0.414 0.000 0.635 589 G HN 0.790 nan 8.290 nan 0.000 0.495 590 G N -1.408 106.825 108.800 -0.945 0.000 2.516 590 G HA2 0.475 4.436 3.960 0.001 0.000 0.276 590 G HA3 0.475 4.436 3.960 0.001 0.000 0.276 590 G C -0.227 174.501 174.900 -0.287 0.000 1.390 590 G CA -0.062 44.666 45.100 -0.620 0.000 1.050 590 G HN 0.345 nan 8.290 nan 0.000 0.519 591 W N -1.556 119.872 121.300 0.214 0.000 3.083 591 W HA 0.356 5.016 4.660 0.001 0.000 0.333 591 W C -1.139 175.446 176.519 0.109 0.000 1.217 591 W CA -0.445 56.975 57.345 0.125 0.000 1.170 591 W CB 2.254 31.790 29.460 0.127 0.000 1.437 591 W HN 0.376 nan 8.180 nan 0.000 0.557 592 D N 0.907 121.494 120.400 0.311 0.000 2.326 592 D HA 0.353 4.994 4.640 0.001 0.000 0.248 592 D C -0.998 175.411 176.300 0.181 0.000 1.001 592 D CA -0.234 53.878 54.000 0.186 0.000 0.961 592 D CB 2.318 43.185 40.800 0.111 0.000 1.183 592 D HN 0.315 nan 8.370 nan 0.000 0.502 593 E N 1.075 121.342 120.200 0.112 0.000 2.640 593 E HA 0.119 4.470 4.350 0.001 0.000 0.360 593 E C -2.290 174.332 176.600 0.036 0.000 1.014 593 E CA -0.955 55.511 56.400 0.109 0.000 0.757 593 E CB 1.380 31.148 29.700 0.114 0.000 1.565 593 E HN 0.094 nan 8.360 nan 0.000 0.381 594 P HA 0.035 nan 4.420 nan 0.000 0.249 594 P C -0.681 176.324 177.300 -0.491 0.000 1.241 594 P CA 0.265 63.170 63.100 -0.325 0.000 0.781 594 P CB -0.128 31.287 31.700 -0.476 0.000 1.088 595 Y N -1.050 119.319 120.300 0.115 0.000 2.524 595 Y HA 0.395 4.945 4.550 0.001 0.000 0.344 595 Y C 0.642 176.702 175.900 0.267 0.000 1.012 595 Y CA -1.391 56.779 58.100 0.117 0.000 1.068 595 Y CB 0.634 39.142 38.460 0.080 0.000 1.249 595 Y HN -0.210 nan 8.280 nan 0.000 0.468 596 Y N 0.773 121.216 120.300 0.238 0.000 2.319 596 Y HA 0.221 4.772 4.550 0.001 0.000 0.328 596 Y C 1.199 177.199 175.900 0.168 0.000 1.133 596 Y CA -0.814 57.387 58.100 0.168 0.000 1.265 596 Y CB 1.057 39.606 38.460 0.149 0.000 1.218 596 Y HN 0.697 nan 8.280 nan 0.000 0.508 597 T N -1.780 112.980 114.554 0.342 0.000 3.043 597 T HA 0.362 4.713 4.350 0.001 0.000 0.272 597 T C 0.561 175.482 174.700 0.369 0.000 0.990 597 T CA 0.016 62.313 62.100 0.328 0.000 0.897 597 T CB 0.086 69.101 68.868 0.245 0.000 1.111 597 T HN 0.662 nan 8.240 nan 0.000 0.529 598 G N 0.692 109.684 108.800 0.319 0.000 2.389 598 G HA2 0.556 4.517 3.960 0.001 0.000 0.328 598 G HA3 0.556 4.517 3.960 0.001 0.000 0.328 598 G C -1.002 174.039 174.900 0.235 0.000 1.133 598 G CA -0.517 44.767 45.100 0.307 0.000 0.891 598 G HN 0.191 nan 8.290 nan 0.000 0.485 599 T N 0.914 115.548 114.554 0.134 0.000 2.812 599 T HA 0.528 4.879 4.350 0.001 0.000 0.282 599 T C 1.128 175.745 174.700 -0.138 0.000 0.990 599 T CA 0.174 62.242 62.100 -0.053 0.000 0.960 599 T CB 1.858 70.608 68.868 -0.197 0.000 0.948 599 T HN 0.609 nan 8.240 nan 0.000 0.438 600 G N 1.829 110.445 108.800 -0.306 0.000 2.524 600 G HA2 0.319 4.280 3.960 0.001 0.000 0.210 600 G HA3 0.319 4.280 3.960 0.001 0.000 0.210 600 G C -0.374 174.057 174.900 -0.781 0.000 1.187 600 G CA 0.257 45.116 45.100 -0.402 0.000 0.825 600 G HN 0.534 nan 8.290 nan 0.000 0.558 601 F N 0.588 120.256 119.950 -0.469 0.000 2.561 601 F HA 0.501 5.029 4.527 0.001 0.000 0.313 601 F C -2.548 172.828 175.800 -0.707 0.000 1.126 601 F CA -3.299 54.364 58.000 -0.562 0.000 0.918 601 F CB 2.059 40.779 39.000 -0.467 0.000 1.199 601 F HN -0.166 nan 8.300 nan 0.000 0.444 602 P HA 0.197 nan 4.420 nan 0.000 0.264 602 P C 0.772 177.880 177.300 -0.320 0.000 1.193 602 P CA 1.201 63.927 63.100 -0.624 0.000 0.763 602 P CB 0.663 32.274 31.700 -0.148 0.000 0.810 603 G N 2.889 111.575 108.800 -0.190 0.000 2.228 603 G HA2 -0.283 3.678 3.960 0.001 0.000 0.270 603 G HA3 -0.283 3.678 3.960 0.001 0.000 0.270 603 G C 0.726 175.655 174.900 0.047 0.000 0.976 603 G CA 0.575 45.752 45.100 0.128 0.000 0.636 603 G HN 0.532 nan 8.290 nan 0.000 0.542 604 D N -1.922 118.350 120.400 -0.213 0.000 2.403 604 D HA 0.267 4.907 4.640 0.001 0.000 0.280 604 D C -0.135 176.155 176.300 -0.017 0.000 1.091 604 D CA 0.206 54.100 54.000 -0.177 0.000 0.884 604 D CB 0.685 41.124 40.800 -0.601 0.000 1.427 604 D HN 0.260 nan 8.370 nan 0.000 0.504 605 F N 1.330 121.002 119.950 -0.462 0.000 2.617 605 F HA 0.357 4.885 4.527 0.001 0.000 0.325 605 F C -1.687 173.763 175.800 -0.585 0.000 1.179 605 F CA -0.817 57.005 58.000 -0.297 0.000 0.965 605 F CB 1.055 39.908 39.000 -0.245 0.000 1.232 605 F HN -0.308 nan 8.300 nan 0.000 0.461 606 Y N 5.350 125.462 120.300 -0.312 0.000 2.509 606 Y HA 0.776 5.327 4.550 0.001 0.000 0.341 606 Y C -0.748 174.946 175.900 -0.342 0.000 1.038 606 Y CA -1.020 56.982 58.100 -0.164 0.000 1.089 606 Y CB 1.889 40.430 38.460 0.135 0.000 1.241 606 Y HN 0.388 nan 8.280 nan 0.000 0.468 607 L N 1.181 122.305 121.223 -0.165 0.000 2.370 607 L HA 0.791 5.132 4.340 0.001 0.000 0.266 607 L C 0.070 176.506 176.870 -0.723 0.000 1.002 607 L CA -1.098 53.426 54.840 -0.527 0.000 0.818 607 L CB 2.333 44.166 42.059 -0.376 0.000 1.325 607 L HN 0.834 nan 8.230 nan 0.000 0.418 608 G N 0.675 108.809 108.800 -1.110 0.000 2.468 608 G HA2 0.469 4.429 3.960 0.001 0.000 0.320 608 G HA3 0.469 4.429 3.960 0.001 0.000 0.320 608 G C -1.333 173.309 174.900 -0.430 0.000 1.137 608 G CA -0.181 44.467 45.100 -0.753 0.000 0.984 608 G HN 0.343 nan 8.290 nan 0.000 0.462 609 Y N 2.786 122.848 120.300 -0.397 0.000 2.600 609 Y HA 0.158 4.708 4.550 0.001 0.000 0.351 609 Y C 2.120 177.880 175.900 -0.233 0.000 1.042 609 Y CA -0.179 57.653 58.100 -0.448 0.000 1.333 609 Y CB 1.027 38.753 38.460 -1.224 0.000 1.172 609 Y HN 0.571 nan 8.280 nan 0.000 0.517 610 T N 2.355 116.891 114.554 -0.031 0.000 2.680 610 T HA -0.235 4.116 4.350 0.001 0.000 0.268 610 T C 1.963 176.712 174.700 0.080 0.000 1.033 610 T CA 1.548 63.661 62.100 0.023 0.000 1.152 610 T CB -0.066 68.804 68.868 0.002 0.000 0.859 610 T HN 0.542 nan 8.240 nan 0.000 0.452 611 M N -0.417 119.284 119.600 0.168 0.000 2.419 611 M HA 0.069 4.550 4.480 0.001 0.000 0.264 611 M C 1.781 178.230 176.300 0.248 0.000 1.082 611 M CA 0.795 56.227 55.300 0.220 0.000 1.119 611 M CB -0.927 31.803 32.600 0.217 0.000 1.398 611 M HN 0.255 nan 8.290 nan 0.000 0.453 612 Y N 1.755 122.137 120.300 0.136 0.000 2.114 612 Y HA -0.261 4.290 4.550 0.001 0.000 0.282 612 Y C 2.549 178.480 175.900 0.052 0.000 1.165 612 Y CA 1.775 60.007 58.100 0.220 0.000 1.148 612 Y CB -1.159 37.496 38.460 0.325 0.000 0.972 612 Y HN 0.402 nan 8.280 nan 0.000 0.504 613 R N -0.579 119.963 120.500 0.069 0.000 2.200 613 R HA -0.176 4.165 4.340 0.001 0.000 0.234 613 R C 1.253 177.502 176.300 -0.085 0.000 1.127 613 R CA 1.942 57.980 56.100 -0.104 0.000 0.989 613 R CB -0.671 29.534 30.300 -0.158 0.000 0.869 613 R HN 0.406 nan 8.270 nan 0.000 0.459 614 H N -0.113 119.075 119.070 0.197 0.000 2.506 614 H HA 0.158 4.715 4.556 0.001 0.000 0.289 614 H C 2.306 177.654 175.328 0.033 0.000 1.009 614 H CA 0.893 57.090 56.048 0.249 0.000 1.303 614 H CB 0.094 30.061 29.762 0.342 0.000 1.453 614 H HN 0.047 nan 8.280 nan 0.000 0.526 615 V N 0.750 120.659 119.914 -0.009 0.000 2.346 615 V HA -0.155 3.965 4.120 0.001 0.000 0.244 615 V C 2.185 178.041 176.094 -0.397 0.000 1.037 615 V CA 1.395 63.521 62.300 -0.290 0.000 1.029 615 V CB -0.786 30.728 31.823 -0.516 0.000 0.663 615 V HN 0.078 nan 8.190 nan 0.000 0.454 616 F N 0.251 120.079 119.950 -0.203 0.000 2.186 616 F HA 0.021 4.549 4.527 0.001 0.000 0.299 616 F C 0.020 175.645 175.800 -0.292 0.000 1.090 616 F CA 1.133 58.989 58.000 -0.240 0.000 1.307 616 F CB -2.028 36.780 39.000 -0.320 0.000 1.019 616 F HN 0.269 nan 8.300 nan 0.000 0.489 617 P HA -0.095 nan 4.420 nan 0.000 0.216 617 P C 1.648 178.785 177.300 -0.271 0.000 1.153 617 P CA 1.962 64.766 63.100 -0.494 0.000 0.848 617 P CB -0.145 30.795 31.700 -1.267 0.000 0.787 618 T N -0.267 114.190 114.554 -0.161 0.000 2.821 618 T HA -0.122 4.228 4.350 0.001 0.000 0.267 618 T C 1.670 176.332 174.700 -0.063 0.000 1.046 618 T CA 0.933 63.014 62.100 -0.031 0.000 1.139 618 T CB -0.810 68.055 68.868 -0.004 0.000 0.871 618 T HN 0.011 nan 8.240 nan 0.000 0.454 619 L N 0.954 122.110 121.223 -0.111 0.000 2.109 619 L HA 0.214 4.554 4.340 0.001 0.000 0.207 619 L C 2.537 179.394 176.870 -0.021 0.000 1.086 619 L CA 1.444 56.230 54.840 -0.089 0.000 0.760 619 L CB -0.669 41.310 42.059 -0.133 0.000 0.910 619 L HN 0.187 nan 8.230 nan 0.000 0.437 620 A N -0.405 122.406 122.820 -0.015 0.000 1.898 620 A HA -0.119 4.201 4.320 0.001 0.000 0.216 620 A C 2.217 179.794 177.584 -0.012 0.000 1.181 620 A CA 1.796 53.827 52.037 -0.010 0.000 0.620 620 A CB -0.832 18.137 19.000 -0.051 0.000 0.819 620 A HN 0.465 nan 8.150 nan 0.000 0.442 621 L N -0.714 120.494 121.223 -0.025 0.000 2.093 621 L HA -0.111 4.229 4.340 0.001 0.000 0.208 621 L C 2.815 179.687 176.870 0.004 0.000 1.085 621 L CA 1.054 55.891 54.840 -0.005 0.000 0.755 621 L CB -0.821 41.266 42.059 0.047 0.000 0.904 621 L HN 0.503 nan 8.230 nan 0.000 0.435 622 G N -0.223 108.582 108.800 0.009 0.000 2.432 622 G HA2 -0.232 3.728 3.960 0.001 0.000 0.219 622 G HA3 -0.232 3.728 3.960 0.001 0.000 0.219 622 G C 1.739 176.646 174.900 0.012 0.000 1.135 622 G CA 0.346 45.451 45.100 0.009 0.000 0.767 622 G HN 0.307 nan 8.290 nan 0.000 0.550 623 R N -1.472 119.043 120.500 0.026 0.000 2.275 623 R HA 0.101 4.442 4.340 0.001 0.000 0.199 623 R C 1.990 178.331 176.300 0.068 0.000 0.989 623 R CA 0.302 56.427 56.100 0.041 0.000 1.016 623 R CB -0.163 30.166 30.300 0.049 0.000 0.918 623 R HN 0.489 nan 8.270 nan 0.000 0.473 624 Y N 1.515 121.753 120.300 -0.104 0.000 2.269 624 Y HA -0.019 4.532 4.550 0.001 0.000 0.294 624 Y C 2.090 177.891 175.900 -0.165 0.000 1.120 624 Y CA 1.049 59.065 58.100 -0.140 0.000 1.159 624 Y CB 0.085 38.415 38.460 -0.217 0.000 1.024 624 Y HN -0.243 nan 8.280 nan 0.000 0.532 625 K N -0.186 120.097 120.400 -0.196 0.000 2.280 625 K HA -0.185 4.136 4.320 0.001 0.000 0.202 625 K C 1.802 178.349 176.600 -0.088 0.000 1.047 625 K CA 1.252 57.431 56.287 -0.179 0.000 0.942 625 K CB 0.112 32.593 32.500 -0.032 0.000 0.739 625 K HN 0.363 nan 8.250 nan 0.000 0.457 626 Q N -0.301 119.460 119.800 -0.065 0.000 2.096 626 Q HA -0.008 4.332 4.340 0.001 0.000 0.197 626 Q C 1.601 177.570 176.000 -0.051 0.000 0.964 626 Q CA 1.163 56.947 55.803 -0.032 0.000 0.838 626 Q CB -0.106 28.630 28.738 -0.005 0.000 0.906 626 Q HN 0.323 nan 8.270 nan 0.000 0.444 627 A N -0.165 122.605 122.820 -0.084 0.000 2.176 627 A HA 0.134 4.455 4.320 0.001 0.000 0.214 627 A C 0.982 178.497 177.584 -0.115 0.000 1.327 627 A CA 0.571 52.559 52.037 -0.081 0.000 1.015 627 A CB -0.459 18.504 19.000 -0.062 0.000 0.818 627 A HN 0.276 nan 8.150 nan 0.000 0.500 628 I N -3.249 117.261 120.570 -0.100 0.000 2.522 628 I HA 0.500 4.671 4.170 0.001 0.000 0.295 628 I C 0.557 176.658 176.117 -0.027 0.000 0.837 628 I CA 1.078 62.335 61.300 -0.073 0.000 2.423 628 I CB 0.287 38.221 38.000 -0.110 0.000 1.763 628 I HN 0.233 nan 8.210 nan 0.000 0.446 629 E N 0.000 120.195 120.200 -0.009 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