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 1h3c_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 0.000 177.500 177.584 -0.140 0.000 1.274 10 A CA 0.000 51.920 52.037 -0.196 0.000 0.836 10 A CB 0.000 18.918 19.000 -0.137 0.000 0.831 11 Y N 0.508 120.873 120.300 0.110 0.000 2.421 11 Y HA 0.419 4.969 4.550 0.001 0.000 0.292 11 Y C 2.371 178.338 175.900 0.112 0.000 1.136 11 Y CA 0.976 59.152 58.100 0.128 0.000 1.255 11 Y CB -1.385 37.188 38.460 0.188 0.000 0.991 11 Y HN 0.442 nan 8.280 nan 0.000 0.552 12 A N 1.726 124.547 122.820 0.002 0.000 1.915 12 A HA -0.317 4.004 4.320 0.001 0.000 0.220 12 A C 2.386 180.038 177.584 0.115 0.000 1.198 12 A CA 2.449 54.564 52.037 0.129 0.000 0.647 12 A CB -0.892 18.078 19.000 -0.051 0.000 0.825 12 A HN 0.536 nan 8.150 nan 0.000 0.456 13 R N -1.316 119.212 120.500 0.047 0.000 2.120 13 R HA -0.092 4.249 4.340 0.001 0.000 0.234 13 R C 2.286 178.618 176.300 0.054 0.000 1.123 13 R CA 1.731 57.852 56.100 0.035 0.000 0.975 13 R CB -0.551 29.750 30.300 0.002 0.000 0.866 13 R HN 0.627 nan 8.270 nan 0.000 0.446 14 T N 1.272 115.887 114.554 0.102 0.000 2.708 14 T HA -0.116 4.235 4.350 0.001 0.000 0.266 14 T C 1.806 176.594 174.700 0.145 0.000 1.037 14 T CA 0.901 63.065 62.100 0.107 0.000 1.146 14 T CB -0.120 68.874 68.868 0.210 0.000 0.865 14 T HN 0.143 nan 8.240 nan 0.000 0.435 15 L N 0.926 122.273 121.223 0.206 0.000 2.017 15 L HA -0.149 4.192 4.340 0.001 0.000 0.208 15 L C 2.550 179.498 176.870 0.130 0.000 1.073 15 L CA 1.446 56.401 54.840 0.193 0.000 0.745 15 L CB -0.494 41.690 42.059 0.208 0.000 0.894 15 L HN 0.235 nan 8.230 nan 0.000 0.432 16 D N -0.383 120.079 120.400 0.103 0.000 2.133 16 D HA -0.205 4.436 4.640 0.001 0.000 0.195 16 D C 2.283 178.618 176.300 0.057 0.000 0.997 16 D CA 1.265 55.307 54.000 0.072 0.000 0.840 16 D CB -0.099 40.733 40.800 0.054 0.000 0.947 16 D HN 0.326 nan 8.370 nan 0.000 0.452 17 R N 0.530 121.052 120.500 0.036 0.000 2.075 17 R HA 0.012 4.353 4.340 0.001 0.000 0.232 17 R C 2.375 178.695 176.300 0.033 0.000 1.126 17 R CA 1.039 57.140 56.100 0.002 0.000 0.963 17 R CB -0.217 30.041 30.300 -0.071 0.000 0.858 17 R HN 0.077 nan 8.270 nan 0.000 0.435 18 A N 0.741 123.599 122.820 0.065 0.000 1.902 18 A HA -0.113 4.208 4.320 0.001 0.000 0.217 18 A C 2.334 180.028 177.584 0.183 0.000 1.181 18 A CA 1.331 53.473 52.037 0.175 0.000 0.623 18 A CB -0.515 18.695 19.000 0.351 0.000 0.818 18 A HN 0.096 nan 8.150 nan 0.000 0.443 19 V N 1.218 121.203 119.914 0.119 0.000 2.223 19 V HA -0.326 3.794 4.120 0.001 0.000 0.244 19 V C 2.576 178.708 176.094 0.065 0.000 1.045 19 V CA 2.411 64.752 62.300 0.067 0.000 1.000 19 V CB -1.171 30.681 31.823 0.049 0.000 0.635 19 V HN 0.922 nan 8.190 nan 0.000 0.445 20 E N -0.344 119.899 120.200 0.072 0.000 2.219 20 E HA -0.332 4.019 4.350 0.001 0.000 0.198 20 E C 2.126 178.777 176.600 0.085 0.000 0.998 20 E CA 2.161 58.599 56.400 0.064 0.000 0.818 20 E CB -0.583 29.152 29.700 0.058 0.000 0.741 20 E HN 0.715 nan 8.360 nan 0.000 0.477 21 Y N 1.389 121.676 120.300 -0.022 0.000 2.243 21 Y HA 0.008 4.558 4.550 0.001 0.000 0.293 21 Y C 1.950 177.833 175.900 -0.027 0.000 1.124 21 Y CA 1.037 59.109 58.100 -0.047 0.000 1.159 21 Y CB -0.149 38.262 38.460 -0.081 0.000 1.008 21 Y HN -0.023 nan 8.280 nan 0.000 0.527 22 L N -0.484 120.691 121.223 -0.080 0.000 1.970 22 L HA -0.282 4.059 4.340 0.001 0.000 0.212 22 L C 2.463 179.385 176.870 0.087 0.000 1.071 22 L CA 1.625 56.399 54.840 -0.110 0.000 0.751 22 L CB -0.833 41.156 42.059 -0.117 0.000 0.889 22 L HN 0.249 nan 8.230 nan 0.000 0.432 23 L N -0.285 120.990 121.223 0.086 0.000 2.189 23 L HA -0.255 4.085 4.340 0.001 0.000 0.214 23 L C 2.816 179.667 176.870 -0.032 0.000 1.097 23 L CA 1.556 56.455 54.840 0.098 0.000 0.764 23 L CB -0.641 41.431 42.059 0.022 0.000 0.900 23 L HN 0.456 nan 8.230 nan 0.000 0.436 24 S N -1.823 113.820 115.700 -0.095 0.000 2.395 24 S HA -0.155 4.315 4.470 0.001 0.000 0.225 24 S C 1.926 176.396 174.600 -0.216 0.000 1.027 24 S CA 0.842 58.952 58.200 -0.150 0.000 0.965 24 S CB -0.817 62.303 63.200 -0.134 0.000 0.812 24 S HN 0.437 nan 8.310 nan 0.000 0.482 25 C N 1.877 121.024 119.300 -0.255 0.000 2.491 25 C HA 0.200 4.660 4.460 0.001 0.000 0.277 25 C C 1.430 176.266 174.990 -0.256 0.000 1.455 25 C CA -0.254 58.629 59.018 -0.226 0.000 1.758 25 C CB -1.807 25.785 27.740 -0.247 0.000 1.745 25 C HN 0.722 nan 8.230 nan 0.000 0.558 26 Q N 1.443 120.984 119.800 -0.431 0.000 2.332 26 Q HA 0.165 4.506 4.340 0.001 0.000 0.263 26 Q C -0.049 175.483 176.000 -0.780 0.000 0.979 26 Q CA 0.243 55.371 55.803 -1.125 0.000 0.885 26 Q CB 0.632 28.566 28.738 -1.340 0.000 1.218 26 Q HN 0.300 nan 8.270 nan 0.000 0.405 27 K N 2.341 122.185 120.400 -0.926 0.000 2.136 27 K HA 0.040 4.361 4.320 0.001 0.000 0.237 27 K C 0.278 176.507 176.600 -0.619 0.000 1.048 27 K CA 0.133 55.965 56.287 -0.757 0.000 0.880 27 K CB 0.399 32.230 32.500 -1.115 0.000 1.105 27 K HN 0.610 nan 8.250 nan 0.000 0.507 28 D N 0.597 120.742 120.400 -0.424 0.000 2.084 28 D HA -0.119 4.522 4.640 0.001 0.000 0.196 28 D C 1.192 177.340 176.300 -0.253 0.000 0.985 28 D CA 1.285 55.119 54.000 -0.276 0.000 0.826 28 D CB -0.026 40.674 40.800 -0.167 0.000 0.978 28 D HN 0.482 nan 8.370 nan 0.000 0.456 29 E N -0.313 119.754 120.200 -0.222 0.000 2.333 29 E HA 0.021 4.371 4.350 0.001 0.000 0.200 29 E C 1.421 177.926 176.600 -0.159 0.000 1.010 29 E CA 1.208 57.575 56.400 -0.055 0.000 0.841 29 E CB -0.323 29.505 29.700 0.212 0.000 0.757 29 E HN 0.382 nan 8.360 nan 0.000 0.508 30 G N -0.917 107.617 108.800 -0.442 0.000 2.135 30 G HA2 -0.235 3.725 3.960 0.001 0.000 0.183 30 G HA3 -0.235 3.725 3.960 0.001 0.000 0.183 30 G C -0.255 174.231 174.900 -0.690 0.000 1.004 30 G CA -0.021 44.787 45.100 -0.486 0.000 0.677 30 G HN 0.323 nan 8.290 nan 0.000 0.512 31 Y N -1.983 117.756 120.300 -0.936 0.000 2.630 31 Y HA 0.888 5.439 4.550 0.001 0.000 0.337 31 Y C -0.155 175.285 175.900 -0.767 0.000 1.051 31 Y CA -2.944 54.557 58.100 -0.999 0.000 1.121 31 Y CB 1.159 38.563 38.460 -1.760 0.000 1.299 31 Y HN 0.074 nan 8.280 nan 0.000 0.498 32 W N 1.358 122.579 121.300 -0.131 0.000 2.627 32 W HA 0.374 5.035 4.660 0.001 0.000 0.339 32 W C -1.764 174.890 176.519 0.225 0.000 1.058 32 W CA -0.856 56.461 57.345 -0.047 0.000 1.223 32 W CB 2.085 31.488 29.460 -0.094 0.000 1.389 32 W HN 0.776 nan 8.180 nan 0.000 0.541 33 W N 2.558 123.966 121.300 0.180 0.000 2.916 33 W HA 0.460 5.121 4.660 0.001 0.000 0.317 33 W C -1.045 175.512 176.519 0.063 0.000 1.047 33 W CA -1.321 56.093 57.345 0.114 0.000 1.234 33 W CB 0.494 30.078 29.460 0.207 0.000 1.143 33 W HN 0.378 nan 8.180 nan 0.000 0.372 34 G N 4.819 113.715 108.800 0.160 0.000 2.371 34 G HA2 0.642 4.603 3.960 0.001 0.000 0.326 34 G HA3 0.642 4.603 3.960 0.001 0.000 0.326 34 G C -2.780 172.010 174.900 -0.184 0.000 1.127 34 G CA -1.522 43.556 45.100 -0.037 0.000 0.885 34 G HN 0.125 nan 8.290 nan 0.000 0.477 35 P HA 0.089 nan 4.420 nan 0.000 0.266 35 P C -0.437 176.743 177.300 -0.200 0.000 1.195 35 P CA -0.324 62.593 63.100 -0.306 0.000 0.768 35 P CB 0.871 32.398 31.700 -0.288 0.000 0.838 36 L N 4.779 125.887 121.223 -0.192 0.000 2.265 36 L HA 0.288 4.628 4.340 0.001 0.000 0.289 36 L C -0.965 175.774 176.870 -0.217 0.000 1.033 36 L CA -0.309 54.388 54.840 -0.237 0.000 0.814 36 L CB 0.082 42.038 42.059 -0.172 0.000 1.203 36 L HN 0.111 nan 8.230 nan 0.000 0.423 37 L N 4.205 125.261 121.223 -0.279 0.000 2.357 37 L HA 0.651 4.991 4.340 0.001 0.000 0.273 37 L C 0.814 177.543 176.870 -0.235 0.000 1.080 37 L CA 0.175 54.904 54.840 -0.186 0.000 0.803 37 L CB 0.961 42.952 42.059 -0.114 0.000 1.174 37 L HN 0.915 nan 8.230 nan 0.000 0.443 38 S N 1.313 117.021 115.700 0.013 0.000 4.020 38 S HA 0.546 5.016 4.470 0.001 0.000 0.201 38 S C -0.467 174.254 174.600 0.202 0.000 1.194 38 S CA -0.339 57.857 58.200 -0.006 0.000 1.383 38 S CB 1.306 64.454 63.200 -0.086 0.000 1.745 38 S HN 0.660 nan 8.310 nan 0.000 0.739 39 N N -0.251 118.549 118.700 0.168 0.000 2.647 39 N HA 0.461 5.201 4.740 0.001 0.000 0.266 39 N C 0.519 176.154 175.510 0.207 0.000 1.373 39 N CA -0.403 52.772 53.050 0.208 0.000 0.807 39 N CB 1.283 39.890 38.487 0.200 0.000 1.513 39 N HN 0.884 nan 8.380 nan 0.000 0.505 40 V N -2.942 117.058 119.914 0.143 0.000 3.186 40 V HA -0.153 3.967 4.120 0.001 0.000 0.270 40 V C 1.659 177.746 176.094 -0.011 0.000 1.149 40 V CA 1.885 64.236 62.300 0.086 0.000 1.160 40 V CB -2.052 29.654 31.823 -0.194 0.000 0.758 40 V HN 0.910 nan 8.190 nan 0.000 0.516 41 T N -3.059 111.492 114.554 -0.006 0.000 2.962 41 T HA -0.118 4.233 4.350 0.001 0.000 0.270 41 T C 1.778 176.385 174.700 -0.156 0.000 1.088 41 T CA 1.503 63.539 62.100 -0.106 0.000 1.127 41 T CB -0.365 68.460 68.868 -0.072 0.000 0.883 41 T HN 0.373 nan 8.240 nan 0.000 0.493 42 M N 1.288 120.868 119.600 -0.033 0.000 2.077 42 M HA 0.038 4.518 4.480 0.001 0.000 0.261 42 M C 2.257 178.524 176.300 -0.056 0.000 1.070 42 M CA 1.671 56.931 55.300 -0.066 0.000 1.125 42 M CB -1.079 31.595 32.600 0.123 0.000 1.339 42 M HN 0.281 nan 8.290 nan 0.000 0.409 43 E N 0.811 121.035 120.200 0.041 0.000 2.072 43 E HA -0.021 4.330 4.350 0.001 0.000 0.191 43 E C 2.139 178.786 176.600 0.079 0.000 0.985 43 E CA 1.517 57.983 56.400 0.110 0.000 0.801 43 E CB -0.553 29.252 29.700 0.175 0.000 0.750 43 E HN 0.491 nan 8.360 nan 0.000 0.452 44 A N 0.975 123.763 122.820 -0.054 0.000 1.908 44 A HA -0.253 4.068 4.320 0.001 0.000 0.218 44 A C 1.977 179.393 177.584 -0.281 0.000 1.181 44 A CA 1.774 53.718 52.037 -0.155 0.000 0.627 44 A CB -0.494 18.366 19.000 -0.234 0.000 0.818 44 A HN 0.215 nan 8.150 nan 0.000 0.445 45 E N -1.996 117.941 120.200 -0.439 0.000 2.208 45 E HA -0.146 4.204 4.350 0.001 0.000 0.193 45 E C 1.743 178.134 176.600 -0.348 0.000 0.988 45 E CA 1.037 56.934 56.400 -0.838 0.000 0.828 45 E CB -0.246 28.773 29.700 -1.135 0.000 0.763 45 E HN 0.798 nan 8.360 nan 0.000 0.478 46 Y N 0.890 121.117 120.300 -0.121 0.000 2.181 46 Y HA -0.252 4.298 4.550 0.001 0.000 0.288 46 Y C 2.027 177.876 175.900 -0.086 0.000 1.146 46 Y CA 1.167 59.263 58.100 -0.006 0.000 1.164 46 Y CB -0.220 38.252 38.460 0.019 0.000 0.982 46 Y HN -0.176 nan 8.280 nan 0.000 0.515 47 V N 0.622 120.588 119.914 0.087 0.000 2.287 47 V HA -0.352 3.769 4.120 0.001 0.000 0.248 47 V C 2.463 178.429 176.094 -0.213 0.000 1.053 47 V CA 2.193 64.479 62.300 -0.024 0.000 1.027 47 V CB -0.825 30.980 31.823 -0.031 0.000 0.646 47 V HN 0.459 nan 8.190 nan 0.000 0.447 48 L N -0.950 120.141 121.223 -0.221 0.000 2.056 48 L HA -0.163 4.178 4.340 0.001 0.000 0.207 48 L C 2.463 179.363 176.870 0.049 0.000 1.078 48 L CA 1.119 55.900 54.840 -0.100 0.000 0.749 48 L CB -0.614 41.456 42.059 0.017 0.000 0.901 48 L HN 0.345 nan 8.230 nan 0.000 0.433 49 L N -0.168 121.069 121.223 0.023 0.000 1.990 49 L HA -0.267 4.073 4.340 0.001 0.000 0.213 49 L C 2.596 179.366 176.870 -0.166 0.000 1.072 49 L CA 1.900 56.732 54.840 -0.013 0.000 0.755 49 L CB -0.792 41.130 42.059 -0.228 0.000 0.889 49 L HN 0.254 nan 8.230 nan 0.000 0.432 50 C N -0.681 118.465 119.300 -0.258 0.000 2.413 50 C HA -0.216 4.245 4.460 0.001 0.000 0.276 50 C C 2.734 177.663 174.990 -0.102 0.000 1.248 50 C CA 1.142 60.058 59.018 -0.170 0.000 1.742 50 C CB -1.474 26.186 27.740 -0.133 0.000 2.017 50 C HN 0.831 nan 8.230 nan 0.000 0.481 51 H N 0.866 119.837 119.070 -0.165 0.000 2.353 51 H HA -0.078 4.478 4.556 0.001 0.000 0.300 51 H C 1.942 177.201 175.328 -0.115 0.000 1.090 51 H CA 1.821 57.808 56.048 -0.101 0.000 1.327 51 H CB -0.260 29.364 29.762 -0.231 0.000 1.383 51 H HN 0.270 nan 8.280 nan 0.000 0.508 52 I N 0.625 120.953 120.570 -0.404 0.000 2.142 52 I HA -0.230 3.940 4.170 0.001 0.000 0.240 52 I C 2.146 177.863 176.117 -0.666 0.000 1.078 52 I CA 1.165 62.050 61.300 -0.693 0.000 1.343 52 I CB -1.151 36.536 38.000 -0.521 0.000 1.046 52 I HN 0.343 nan 8.210 nan 0.000 0.405 53 L N 0.473 121.453 121.223 -0.405 0.000 2.675 53 L HA -0.066 4.274 4.340 0.001 0.000 0.238 53 L C 0.317 177.009 176.870 -0.297 0.000 1.155 53 L CA 0.248 54.897 54.840 -0.319 0.000 0.881 53 L CB -0.872 41.036 42.059 -0.251 0.000 1.008 53 L HN 0.315 nan 8.230 nan 0.000 0.443 54 D N 1.640 121.874 120.400 -0.276 0.000 2.686 54 D HA -0.235 4.406 4.640 0.001 0.000 0.235 54 D C 0.207 176.418 176.300 -0.149 0.000 1.160 54 D CA 0.701 54.598 54.000 -0.172 0.000 0.645 54 D CB -0.298 40.415 40.800 -0.145 0.000 1.039 54 D HN 0.367 nan 8.370 nan 0.000 0.423 55 R N 0.065 120.469 120.500 -0.159 0.000 2.681 55 R HA 0.338 4.679 4.340 0.001 0.000 0.277 55 R C -0.880 175.420 176.300 -0.001 0.000 1.563 55 R CA -0.683 55.328 56.100 -0.149 0.000 1.673 55 R CB 1.311 31.356 30.300 -0.425 0.000 1.258 55 R HN -0.024 nan 8.270 nan 0.000 0.650 56 V N 1.237 121.179 119.914 0.048 0.000 2.407 56 V HA 0.133 4.253 4.120 0.001 0.000 0.278 56 V C -0.059 176.088 176.094 0.090 0.000 1.037 56 V CA -0.521 61.843 62.300 0.105 0.000 0.900 56 V CB 1.688 33.614 31.823 0.173 0.000 0.983 56 V HN 0.373 nan 8.190 nan 0.000 0.459 57 D N 4.428 124.882 120.400 0.091 0.000 2.473 57 D HA 0.293 4.933 4.640 0.001 0.000 0.226 57 D C 1.330 177.656 176.300 0.043 0.000 1.089 57 D CA -0.528 53.506 54.000 0.056 0.000 0.883 57 D CB 0.723 41.547 40.800 0.039 0.000 1.029 57 D HN 0.244 nan 8.370 nan 0.000 0.517 58 R N 2.464 122.991 120.500 0.044 0.000 2.159 58 R HA -0.217 4.124 4.340 0.001 0.000 0.249 58 R C 1.362 177.678 176.300 0.026 0.000 1.136 58 R CA 1.508 57.632 56.100 0.039 0.000 0.951 58 R CB -0.623 29.695 30.300 0.028 0.000 0.876 58 R HN 0.666 nan 8.270 nan 0.000 0.440 59 D N 0.114 120.520 120.400 0.010 0.000 2.116 59 D HA -0.206 4.434 4.640 0.001 0.000 0.193 59 D C 1.942 178.223 176.300 -0.031 0.000 0.998 59 D CA 1.393 55.390 54.000 -0.005 0.000 0.836 59 D CB 0.057 40.848 40.800 -0.014 0.000 0.951 59 D HN 0.012 nan 8.370 nan 0.000 0.449 60 R N 0.055 120.509 120.500 -0.077 0.000 2.081 60 R HA -0.079 4.262 4.340 0.001 0.000 0.235 60 R C 2.401 178.658 176.300 -0.072 0.000 1.131 60 R CA 1.160 57.150 56.100 -0.184 0.000 0.960 60 R CB -0.621 29.500 30.300 -0.299 0.000 0.856 60 R HN 0.176 nan 8.270 nan 0.000 0.436 61 M N 0.808 120.418 119.600 0.015 0.000 2.144 61 M HA -0.155 4.325 4.480 0.001 0.000 0.260 61 M C 1.786 178.143 176.300 0.094 0.000 1.067 61 M CA 1.596 56.948 55.300 0.086 0.000 1.095 61 M CB -0.927 31.741 32.600 0.113 0.000 1.365 61 M HN 0.148 nan 8.290 nan 0.000 0.406 62 E N 0.592 120.834 120.200 0.070 0.000 2.051 62 E HA -0.134 4.217 4.350 0.001 0.000 0.192 62 E C 2.038 178.709 176.600 0.120 0.000 0.991 62 E CA 1.116 57.567 56.400 0.085 0.000 0.799 62 E CB -0.245 29.491 29.700 0.061 0.000 0.748 62 E HN 0.540 nan 8.360 nan 0.000 0.449 63 K N 0.272 120.735 120.400 0.105 0.000 2.097 63 K HA -0.051 4.269 4.320 0.001 0.000 0.206 63 K C 2.292 179.050 176.600 0.263 0.000 1.049 63 K CA 0.846 57.232 56.287 0.165 0.000 0.933 63 K CB -0.117 32.459 32.500 0.128 0.000 0.717 63 K HN 0.112 nan 8.250 nan 0.000 0.442 64 I N 0.493 121.209 120.570 0.243 0.000 2.353 64 I HA -0.231 3.940 4.170 0.001 0.000 0.248 64 I C 2.654 178.961 176.117 0.317 0.000 1.119 64 I CA 0.880 62.374 61.300 0.323 0.000 1.417 64 I CB -0.153 38.008 38.000 0.268 0.000 1.078 64 I HN 0.129 nan 8.210 nan 0.000 0.421 65 R N 1.129 121.767 120.500 0.230 0.000 2.073 65 R HA -0.154 4.187 4.340 0.001 0.000 0.234 65 R C 2.525 178.963 176.300 0.230 0.000 1.134 65 R CA 1.428 57.647 56.100 0.199 0.000 0.952 65 R CB -0.084 30.303 30.300 0.145 0.000 0.850 65 R HN 0.243 nan 8.270 nan 0.000 0.433 66 R N -0.621 120.027 120.500 0.246 0.000 2.097 66 R HA -0.250 4.090 4.340 0.001 0.000 0.236 66 R C 2.331 178.833 176.300 0.337 0.000 1.135 66 R CA 2.141 58.398 56.100 0.261 0.000 0.934 66 R CB -1.027 29.452 30.300 0.299 0.000 0.846 66 R HN 0.335 nan 8.270 nan 0.000 0.431 67 Y N 2.019 122.521 120.300 0.337 0.000 2.040 67 Y HA -0.303 4.247 4.550 0.001 0.000 0.275 67 Y C 2.156 178.255 175.900 0.331 0.000 1.171 67 Y CA 1.785 60.116 58.100 0.385 0.000 1.123 67 Y CB -0.657 37.984 38.460 0.302 0.000 0.963 67 Y HN -0.011 nan 8.280 nan 0.000 0.493 68 L N -0.770 120.568 121.223 0.192 0.000 1.997 68 L HA -0.328 4.012 4.340 0.001 0.000 0.216 68 L C 2.517 179.575 176.870 0.313 0.000 1.074 68 L CA 1.387 56.293 54.840 0.109 0.000 0.763 68 L CB -0.925 41.213 42.059 0.133 0.000 0.890 68 L HN 0.328 nan 8.230 nan 0.000 0.434 69 L N -0.626 120.751 121.223 0.257 0.000 2.012 69 L HA -0.277 4.063 4.340 0.001 0.000 0.210 69 L C 2.574 179.475 176.870 0.052 0.000 1.073 69 L CA 2.090 57.041 54.840 0.185 0.000 0.748 69 L CB -1.677 40.454 42.059 0.119 0.000 0.891 69 L HN 0.398 nan 8.230 nan 0.000 0.431 70 H N 0.222 119.249 119.070 -0.073 0.000 2.394 70 H HA -0.175 4.382 4.556 0.001 0.000 0.297 70 H C 1.887 177.110 175.328 -0.176 0.000 1.113 70 H CA 1.889 57.811 56.048 -0.210 0.000 1.277 70 H CB 0.344 29.869 29.762 -0.395 0.000 1.370 70 H HN 0.258 nan 8.280 nan 0.000 0.506 71 E N 0.352 120.485 120.200 -0.112 0.000 2.442 71 E HA -0.055 4.295 4.350 0.001 0.000 0.195 71 E C 0.438 176.920 176.600 -0.196 0.000 1.030 71 E CA 0.101 56.440 56.400 -0.103 0.000 0.869 71 E CB -0.023 29.655 29.700 -0.038 0.000 0.857 71 E HN 0.649 nan 8.360 nan 0.000 0.505 72 Q N 1.439 121.032 119.800 -0.345 0.000 2.332 72 Q HA 0.099 4.440 4.340 0.001 0.000 0.263 72 Q C -0.458 175.160 176.000 -0.637 0.000 0.979 72 Q CA -0.097 55.090 55.803 -1.026 0.000 0.885 72 Q CB 0.594 28.736 28.738 -0.994 0.000 1.218 72 Q HN -0.144 nan 8.270 nan 0.000 0.405 73 R N 1.976 122.095 120.500 -0.635 0.000 2.541 73 R HA 0.115 4.455 4.340 0.001 0.000 0.263 73 R C 1.209 177.296 176.300 -0.356 0.000 1.112 73 R CA -0.489 55.361 56.100 -0.417 0.000 1.170 73 R CB 0.341 30.426 30.300 -0.359 0.000 1.167 73 R HN 0.689 nan 8.270 nan 0.000 0.582 74 E N 1.219 121.262 120.200 -0.262 0.000 2.086 74 E HA -0.282 4.068 4.350 0.001 0.000 0.205 74 E C 1.080 177.554 176.600 -0.209 0.000 1.027 74 E CA 2.380 58.657 56.400 -0.204 0.000 0.830 74 E CB -0.226 29.379 29.700 -0.158 0.000 0.751 74 E HN 0.710 nan 8.360 nan 0.000 0.456 75 D N -0.909 119.353 120.400 -0.230 0.000 2.384 75 D HA -0.046 4.594 4.640 0.001 0.000 0.222 75 D C 1.236 177.383 176.300 -0.255 0.000 0.976 75 D CA 1.036 54.902 54.000 -0.223 0.000 0.915 75 D CB -0.308 40.339 40.800 -0.255 0.000 0.896 75 D HN 0.323 nan 8.370 nan 0.000 0.523 76 G N -0.508 108.094 108.800 -0.330 0.000 2.136 76 G HA2 -0.253 3.707 3.960 0.001 0.000 0.242 76 G HA3 -0.253 3.707 3.960 0.001 0.000 0.242 76 G C 0.428 175.012 174.900 -0.528 0.000 0.989 76 G CA 0.710 45.584 45.100 -0.378 0.000 0.682 76 G HN 0.869 nan 8.290 nan 0.000 0.522 77 T N -3.368 110.830 114.554 -0.594 0.000 2.841 77 T HA 0.767 5.118 4.350 0.001 0.000 0.276 77 T C -0.376 173.960 174.700 -0.608 0.000 1.003 77 T CA -0.904 60.894 62.100 -0.504 0.000 0.995 77 T CB 2.251 70.754 68.868 -0.608 0.000 1.260 77 T HN 0.523 nan 8.240 nan 0.000 0.581 78 W N -0.126 121.099 121.300 -0.124 0.000 2.915 78 W HA 0.682 5.343 4.660 0.001 0.000 0.337 78 W C -0.181 176.280 176.519 -0.097 0.000 1.102 78 W CA -1.160 56.125 57.345 -0.100 0.000 1.224 78 W CB 2.345 31.782 29.460 -0.038 0.000 1.416 78 W HN 1.089 nan 8.180 nan 0.000 0.503 79 A N 1.843 124.705 122.820 0.069 0.000 2.312 79 A HA 0.683 5.003 4.320 0.001 0.000 0.310 79 A C 0.463 178.070 177.584 0.037 0.000 1.139 79 A CA -0.539 51.477 52.037 -0.033 0.000 0.886 79 A CB 1.164 20.005 19.000 -0.265 0.000 1.350 79 A HN 0.704 nan 8.150 nan 0.000 0.479 80 L N -1.105 120.157 121.223 0.064 0.000 2.209 80 L HA 0.114 4.454 4.340 0.001 0.000 0.207 80 L C 0.017 177.026 176.870 0.233 0.000 1.094 80 L CA 0.896 55.896 54.840 0.266 0.000 0.790 80 L CB -0.456 41.921 42.059 0.531 0.000 0.932 80 L HN 0.776 nan 8.230 nan 0.000 0.447 81 Y N -2.605 117.628 120.300 -0.112 0.000 2.534 81 Y HA 0.605 5.155 4.550 0.001 0.000 0.345 81 Y C -2.850 172.819 175.900 -0.386 0.000 1.031 81 Y CA -4.131 53.682 58.100 -0.478 0.000 1.022 81 Y CB -0.337 37.895 38.460 -0.381 0.000 1.292 81 Y HN -0.221 nan 8.280 nan 0.000 0.459 82 P HA 0.116 nan 4.420 nan 0.000 0.261 82 P C 0.810 178.031 177.300 -0.131 0.000 1.183 82 P CA 1.939 64.888 63.100 -0.251 0.000 0.761 82 P CB 0.774 32.353 31.700 -0.202 0.000 0.785 83 G N 1.984 110.674 108.800 -0.185 0.000 2.179 83 G HA2 -0.170 3.791 3.960 0.001 0.000 0.260 83 G HA3 -0.170 3.791 3.960 0.001 0.000 0.260 83 G C 0.496 175.216 174.900 -0.300 0.000 0.977 83 G CA -0.092 44.932 45.100 -0.126 0.000 0.641 83 G HN 0.909 nan 8.290 nan 0.000 0.533 84 G N 0.341 108.725 108.800 -0.695 0.000 2.537 84 G HA2 0.680 4.640 3.960 0.001 0.000 0.273 84 G HA3 0.680 4.640 3.960 0.001 0.000 0.273 84 G C -1.400 173.207 174.900 -0.488 0.000 1.189 84 G CA -0.417 44.039 45.100 -1.074 0.000 0.881 84 G HN 0.300 nan 8.290 nan 0.000 0.535 85 P HA 0.206 nan 4.420 nan 0.000 0.272 85 P C -2.556 174.659 177.300 -0.142 0.000 1.230 85 P CA -1.132 61.882 63.100 -0.145 0.000 0.788 85 P CB 0.595 32.284 31.700 -0.020 0.000 0.949 86 P HA 0.028 nan 4.420 nan 0.000 0.268 86 P C -0.446 176.902 177.300 0.081 0.000 1.204 86 P CA 0.522 63.471 63.100 -0.253 0.000 0.768 86 P CB 0.618 31.800 31.700 -0.863 0.000 0.842 87 D N 2.699 123.208 120.400 0.182 0.000 2.217 87 D HA 0.087 4.727 4.640 0.001 0.000 0.243 87 D C 0.900 177.449 176.300 0.415 0.000 1.054 87 D CA -0.616 53.562 54.000 0.296 0.000 0.838 87 D CB 1.667 42.614 40.800 0.247 0.000 1.162 87 D HN 0.045 nan 8.370 nan 0.000 0.472 88 L N 4.598 126.020 121.223 0.331 0.000 1.948 88 L HA -0.124 4.216 4.340 0.001 0.000 0.212 88 L C 1.636 178.597 176.870 0.151 0.000 1.074 88 L CA 1.816 56.772 54.840 0.193 0.000 0.753 88 L CB -0.611 41.463 42.059 0.025 0.000 0.888 88 L HN 0.483 nan 8.230 nan 0.000 0.432 89 D N -0.851 119.614 120.400 0.109 0.000 2.160 89 D HA -0.257 4.384 4.640 0.001 0.000 0.189 89 D C 1.889 178.227 176.300 0.062 0.000 1.003 89 D CA 2.452 56.487 54.000 0.058 0.000 0.846 89 D CB -0.676 40.153 40.800 0.049 0.000 0.949 89 D HN 0.432 nan 8.370 nan 0.000 0.446 90 T N 0.938 115.561 114.554 0.115 0.000 2.635 90 T HA -0.159 4.192 4.350 0.001 0.000 0.267 90 T C 2.151 176.885 174.700 0.055 0.000 1.040 90 T CA 2.240 64.391 62.100 0.084 0.000 1.156 90 T CB -0.752 68.217 68.868 0.169 0.000 0.863 90 T HN 0.196 nan 8.240 nan 0.000 0.430 91 T N 2.169 116.870 114.554 0.245 0.000 2.746 91 T HA 0.010 4.361 4.350 0.001 0.000 0.267 91 T C 2.014 176.848 174.700 0.224 0.000 1.039 91 T CA 0.989 63.332 62.100 0.405 0.000 1.142 91 T CB -0.480 68.754 68.868 0.609 0.000 0.866 91 T HN 0.336 nan 8.240 nan 0.000 0.444 92 I N 0.983 121.636 120.570 0.140 0.000 2.099 92 I HA -0.208 3.962 4.170 0.001 0.000 0.239 92 I C 2.708 178.867 176.117 0.069 0.000 1.066 92 I CA 1.605 62.956 61.300 0.086 0.000 1.324 92 I CB -0.478 37.525 38.000 0.003 0.000 1.037 92 I HN 0.306 nan 8.210 nan 0.000 0.401 93 E N 0.871 121.054 120.200 -0.029 0.000 2.058 93 E HA -0.249 4.102 4.350 0.001 0.000 0.194 93 E C 2.311 178.810 176.600 -0.169 0.000 0.997 93 E CA 1.443 57.778 56.400 -0.108 0.000 0.801 93 E CB -0.232 29.363 29.700 -0.176 0.000 0.746 93 E HN 0.531 nan 8.360 nan 0.000 0.450 94 A N 0.521 123.162 122.820 -0.300 0.000 1.972 94 A HA -0.223 4.097 4.320 0.001 0.000 0.219 94 A C 1.986 179.372 177.584 -0.330 0.000 1.169 94 A CA 1.402 53.090 52.037 -0.581 0.000 0.635 94 A CB -0.683 17.411 19.000 -1.511 0.000 0.810 94 A HN 0.413 nan 8.150 nan 0.000 0.446 95 Y N 0.783 120.970 120.300 -0.189 0.000 2.089 95 Y HA -0.189 4.361 4.550 0.001 0.000 0.282 95 Y C 2.377 178.280 175.900 0.005 0.000 1.139 95 Y CA 2.105 60.212 58.100 0.011 0.000 1.123 95 Y CB -0.541 37.970 38.460 0.085 0.000 0.980 95 Y HN 0.057 nan 8.280 nan 0.000 0.493 96 V N 0.918 120.836 119.914 0.005 0.000 2.324 96 V HA -0.371 3.749 4.120 0.001 0.000 0.250 96 V C 2.703 178.742 176.094 -0.091 0.000 1.060 96 V CA 1.856 64.121 62.300 -0.059 0.000 1.042 96 V CB -1.873 29.968 31.823 0.030 0.000 0.650 96 V HN 0.591 nan 8.190 nan 0.000 0.450 97 A N 0.029 122.788 122.820 -0.101 0.000 1.865 97 A HA -0.204 4.117 4.320 0.001 0.000 0.217 97 A C 2.254 179.832 177.584 -0.010 0.000 1.191 97 A CA 2.176 54.171 52.037 -0.070 0.000 0.623 97 A CB -0.637 18.300 19.000 -0.105 0.000 0.826 97 A HN 0.496 nan 8.150 nan 0.000 0.444 98 L N -0.785 120.398 121.223 -0.067 0.000 2.017 98 L HA -0.213 4.127 4.340 0.001 0.000 0.208 98 L C 2.658 179.490 176.870 -0.064 0.000 1.073 98 L CA 2.028 56.848 54.840 -0.032 0.000 0.745 98 L CB -0.429 41.620 42.059 -0.017 0.000 0.894 98 L HN 0.469 nan 8.230 nan 0.000 0.432 99 K N -0.744 119.537 120.400 -0.199 0.000 2.211 99 K HA -0.262 4.059 4.320 0.001 0.000 0.204 99 K C 2.146 178.714 176.600 -0.053 0.000 1.047 99 K CA 1.462 57.637 56.287 -0.186 0.000 0.935 99 K CB -0.121 32.175 32.500 -0.339 0.000 0.728 99 K HN 0.256 nan 8.250 nan 0.000 0.452 100 Y N 0.582 120.811 120.300 -0.118 0.000 2.365 100 Y HA 0.039 4.590 4.550 0.001 0.000 0.293 100 Y C 1.486 177.357 175.900 -0.049 0.000 1.119 100 Y CA 0.908 58.957 58.100 -0.085 0.000 1.203 100 Y CB 0.157 38.560 38.460 -0.094 0.000 1.026 100 Y HN -0.029 nan 8.280 nan 0.000 0.549 101 I N -0.750 119.901 120.570 0.135 0.000 2.546 101 I HA -0.068 4.102 4.170 0.001 0.000 0.255 101 I C 2.020 178.124 176.117 -0.021 0.000 1.163 101 I CA 1.608 62.959 61.300 0.085 0.000 1.457 101 I CB -0.291 37.781 38.000 0.120 0.000 1.092 101 I HN 0.476 nan 8.210 nan 0.000 0.434 102 G N -0.938 107.839 108.800 -0.039 0.000 3.685 102 G HA2 -0.044 3.916 3.960 0.001 0.000 0.215 102 G HA3 -0.044 3.916 3.960 0.001 0.000 0.215 102 G C 0.393 175.276 174.900 -0.028 0.000 0.987 102 G CA -0.641 44.434 45.100 -0.043 0.000 0.884 102 G HN -0.065 nan 8.290 nan 0.000 0.406 103 M N 2.956 122.547 119.600 -0.015 0.000 2.243 103 M HA 0.192 4.673 4.480 0.001 0.000 0.365 103 M C 0.872 177.159 176.300 -0.022 0.000 1.327 103 M CA 0.553 55.847 55.300 -0.009 0.000 0.918 103 M CB 0.010 32.603 32.600 -0.010 0.000 1.894 103 M HN 0.594 nan 8.290 nan 0.000 0.473 104 S N 3.473 119.176 115.700 0.006 0.000 2.508 104 S HA 0.443 4.914 4.470 0.001 0.000 0.284 104 S C 0.980 175.612 174.600 0.052 0.000 1.192 104 S CA -1.054 57.157 58.200 0.019 0.000 1.070 104 S CB 1.356 64.570 63.200 0.024 0.000 1.004 104 S HN 0.771 nan 8.310 nan 0.000 0.493 105 R N 1.380 121.927 120.500 0.079 0.000 2.332 105 R HA -0.157 4.184 4.340 0.001 0.000 0.239 105 R C 0.137 176.512 176.300 0.126 0.000 1.160 105 R CA 1.662 57.854 56.100 0.154 0.000 1.020 105 R CB -0.679 29.729 30.300 0.180 0.000 0.859 105 R HN 0.607 nan 8.270 nan 0.000 0.478 106 D N 1.488 121.938 120.400 0.083 0.000 2.120 106 D HA -0.064 4.577 4.640 0.001 0.000 0.202 106 D C 0.112 176.450 176.300 0.064 0.000 0.972 106 D CA 0.538 54.578 54.000 0.066 0.000 0.837 106 D CB -0.227 40.602 40.800 0.048 0.000 0.989 106 D HN 0.351 nan 8.370 nan 0.000 0.469 107 E N 1.637 121.873 120.200 0.060 0.000 2.760 107 E HA -0.158 4.192 4.350 0.001 0.000 0.268 107 E C 0.949 177.585 176.600 0.061 0.000 0.935 107 E CA 0.251 56.683 56.400 0.054 0.000 0.960 107 E CB 0.865 30.598 29.700 0.054 0.000 0.931 107 E HN 0.308 nan 8.360 nan 0.000 0.483 108 E N 3.727 123.951 120.200 0.040 0.000 2.086 108 E HA -0.205 4.145 4.350 0.001 0.000 0.200 108 E C -0.863 175.759 176.600 0.036 0.000 1.012 108 E CA 1.640 58.058 56.400 0.030 0.000 0.812 108 E CB -0.467 29.238 29.700 0.008 0.000 0.743 108 E HN 0.350 nan 8.360 nan 0.000 0.453 109 P HA -0.194 nan 4.420 nan 0.000 0.215 109 P C 1.308 178.684 177.300 0.127 0.000 1.157 109 P CA 1.586 64.712 63.100 0.043 0.000 0.868 109 P CB -0.021 31.713 31.700 0.058 0.000 0.788 110 M N -1.293 118.415 119.600 0.180 0.000 2.213 110 M HA -0.155 4.326 4.480 0.001 0.000 0.263 110 M C 1.997 178.457 176.300 0.267 0.000 1.062 110 M CA 1.653 57.144 55.300 0.320 0.000 1.105 110 M CB -1.571 31.191 32.600 0.269 0.000 1.385 110 M HN 0.054 nan 8.290 nan 0.000 0.417 111 Q N 0.892 120.780 119.800 0.148 0.000 1.967 111 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 111 Q C 2.095 178.136 176.000 0.067 0.000 0.985 111 Q CA 1.527 57.386 55.803 0.094 0.000 0.839 111 Q CB -0.453 28.322 28.738 0.060 0.000 0.906 111 Q HN 0.540 nan 8.270 nan 0.000 0.423 112 K N 0.514 120.941 120.400 0.045 0.000 2.044 112 K HA -0.154 4.167 4.320 0.001 0.000 0.210 112 K C 2.149 178.783 176.600 0.057 0.000 1.049 112 K CA 1.345 57.645 56.287 0.022 0.000 0.927 112 K CB -0.305 32.175 32.500 -0.034 0.000 0.713 112 K HN 0.171 nan 8.250 nan 0.000 0.443 113 A N 1.952 124.822 122.820 0.084 0.000 1.851 113 A HA -0.203 4.117 4.320 0.001 0.000 0.216 113 A C 2.205 179.845 177.584 0.092 0.000 1.195 113 A CA 1.429 53.564 52.037 0.163 0.000 0.622 113 A CB -0.905 18.294 19.000 0.332 0.000 0.831 113 A HN 0.277 nan 8.150 nan 0.000 0.444 114 L N -0.850 120.350 121.223 -0.040 0.000 2.021 114 L HA -0.276 4.064 4.340 0.001 0.000 0.215 114 L C 2.940 179.760 176.870 -0.084 0.000 1.074 114 L CA 1.834 56.554 54.840 -0.200 0.000 0.760 114 L CB -0.310 41.655 42.059 -0.156 0.000 0.889 114 L HN 0.415 nan 8.230 nan 0.000 0.433 115 R N -1.254 119.246 120.500 -0.000 0.000 2.096 115 R HA -0.216 4.125 4.340 0.001 0.000 0.235 115 R C 2.199 178.526 176.300 0.046 0.000 1.127 115 R CA 1.754 57.864 56.100 0.017 0.000 0.968 115 R CB -0.566 29.756 30.300 0.037 0.000 0.861 115 R HN 0.339 nan 8.270 nan 0.000 0.440 116 F N 1.797 121.721 119.950 -0.043 0.000 2.102 116 F HA -0.150 4.377 4.527 0.001 0.000 0.298 116 F C 2.012 177.794 175.800 -0.031 0.000 1.105 116 F CA 1.215 59.197 58.000 -0.030 0.000 1.239 116 F CB -0.434 38.552 39.000 -0.023 0.000 0.991 116 F HN -0.146 nan 8.300 nan 0.000 0.474 117 I N 0.428 120.826 120.570 -0.286 0.000 2.151 117 I HA -0.375 3.796 4.170 0.001 0.000 0.243 117 I C 2.450 178.378 176.117 -0.315 0.000 1.080 117 I CA 1.819 62.885 61.300 -0.389 0.000 1.339 117 I CB -0.724 37.136 38.000 -0.233 0.000 1.039 117 I HN 0.317 nan 8.210 nan 0.000 0.409 118 Q N 0.390 120.068 119.800 -0.202 0.000 2.084 118 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 118 Q C 2.241 178.161 176.000 -0.132 0.000 0.978 118 Q CA 1.933 57.654 55.803 -0.136 0.000 0.844 118 Q CB -0.294 28.396 28.738 -0.081 0.000 0.898 118 Q HN 0.599 nan 8.270 nan 0.000 0.426 119 S N 0.346 115.962 115.700 -0.140 0.000 2.584 119 S HA -0.092 4.378 4.470 0.001 0.000 0.240 119 S C 1.423 175.933 174.600 -0.149 0.000 0.975 119 S CA 0.677 58.815 58.200 -0.103 0.000 0.949 119 S CB 0.086 63.261 63.200 -0.042 0.000 0.761 119 S HN 0.230 nan 8.310 nan 0.000 0.536 120 Q N 0.047 119.701 119.800 -0.244 0.000 2.217 120 Q HA 0.330 4.671 4.340 0.001 0.000 0.217 120 Q C 1.237 177.155 176.000 -0.138 0.000 0.844 120 Q CA 0.597 56.263 55.803 -0.228 0.000 0.957 120 Q CB 0.744 29.238 28.738 -0.407 0.000 1.127 120 Q HN 0.737 nan 8.270 nan 0.000 0.503 121 G N 0.036 108.771 108.800 -0.108 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 0.613 175.475 174.900 -0.063 0.000 0.991 121 G CA 0.126 45.190 45.100 -0.059 0.000 0.653 121 G HN 0.723 nan 8.290 nan 0.000 0.518 122 G N -0.445 108.287 108.800 -0.113 0.000 2.692 122 G HA2 -0.134 3.827 3.960 0.001 0.000 0.248 122 G HA3 -0.134 3.827 3.960 0.001 0.000 0.248 122 G C 1.114 175.926 174.900 -0.146 0.000 1.340 122 G CA 0.320 45.342 45.100 -0.131 0.000 0.896 122 G HN 1.390 nan 8.290 nan 0.000 0.570 123 I N 0.230 120.673 120.570 -0.212 0.000 2.300 123 I HA -0.179 3.992 4.170 0.001 0.000 0.252 123 I C 2.344 178.355 176.117 -0.176 0.000 1.119 123 I CA 2.460 63.606 61.300 -0.256 0.000 1.384 123 I CB -0.106 37.624 38.000 -0.451 0.000 1.062 123 I HN 0.572 nan 8.210 nan 0.000 0.426 124 E N 0.441 120.608 120.200 -0.054 0.000 2.472 124 E HA -0.096 4.254 4.350 0.001 0.000 0.200 124 E C 1.735 178.333 176.600 -0.004 0.000 1.046 124 E CA 0.669 57.089 56.400 0.033 0.000 0.871 124 E CB -0.008 29.760 29.700 0.113 0.000 0.806 124 E HN 0.476 nan 8.360 nan 0.000 0.533 125 S N 0.076 115.750 115.700 -0.044 0.000 2.539 125 S HA 0.052 4.522 4.470 0.001 0.000 0.221 125 S C 0.649 175.226 174.600 -0.037 0.000 0.987 125 S CA -0.286 57.895 58.200 -0.031 0.000 0.929 125 S CB 0.465 63.641 63.200 -0.039 0.000 0.832 125 S HN 0.186 nan 8.310 nan 0.000 0.492 126 S N 2.381 118.038 115.700 -0.072 0.000 2.646 126 S HA 0.521 4.992 4.470 0.001 0.000 0.276 126 S C 0.210 174.770 174.600 -0.067 0.000 1.222 126 S CA -1.122 57.039 58.200 -0.065 0.000 1.014 126 S CB 0.749 63.890 63.200 -0.100 0.000 0.991 126 S HN 0.527 nan 8.310 nan 0.000 0.533 127 R N 0.705 121.179 120.500 -0.043 0.000 2.817 127 R HA 0.150 4.490 4.340 0.001 0.000 0.264 127 R C 0.734 176.963 176.300 -0.119 0.000 1.009 127 R CA -0.471 55.590 56.100 -0.067 0.000 1.133 127 R CB -0.305 29.954 30.300 -0.068 0.000 1.013 127 R HN 0.393 nan 8.270 nan 0.000 0.453 128 V N 1.069 120.865 119.914 -0.196 0.000 2.282 128 V HA -0.281 3.839 4.120 0.001 0.000 0.249 128 V C 2.096 178.117 176.094 -0.121 0.000 1.057 128 V CA 1.860 64.039 62.300 -0.202 0.000 1.032 128 V CB -0.929 30.691 31.823 -0.337 0.000 0.645 128 V HN 0.680 nan 8.190 nan 0.000 0.447 129 F N 1.107 120.978 119.950 -0.132 0.000 2.065 129 F HA -0.235 4.292 4.527 0.001 0.000 0.298 129 F C 2.657 178.519 175.800 0.103 0.000 1.112 129 F CA 2.116 60.108 58.000 -0.012 0.000 1.212 129 F CB -1.675 37.298 39.000 -0.045 0.000 0.975 129 F HN 0.120 nan 8.300 nan 0.000 0.476 130 T N -0.217 114.455 114.554 0.197 0.000 2.652 130 T HA -0.221 4.130 4.350 0.001 0.000 0.267 130 T C 2.123 176.825 174.700 0.004 0.000 1.039 130 T CA 1.646 63.805 62.100 0.099 0.000 1.153 130 T CB -0.332 68.521 68.868 -0.025 0.000 0.863 130 T HN 0.178 nan 8.240 nan 0.000 0.428 131 R N 0.271 120.675 120.500 -0.160 0.000 2.120 131 R HA 0.046 4.387 4.340 0.001 0.000 0.234 131 R C 2.543 178.710 176.300 -0.220 0.000 1.123 131 R CA 1.183 57.026 56.100 -0.428 0.000 0.975 131 R CB -0.328 29.592 30.300 -0.634 0.000 0.866 131 R HN 0.420 nan 8.270 nan 0.000 0.446 132 M N -0.609 118.931 119.600 -0.099 0.000 2.123 132 M HA -0.170 4.311 4.480 0.001 0.000 0.263 132 M C 1.441 177.628 176.300 -0.187 0.000 1.069 132 M CA 1.724 56.900 55.300 -0.208 0.000 1.133 132 M CB -0.150 32.394 32.600 -0.094 0.000 1.356 132 M HN 0.153 nan 8.290 nan 0.000 0.415 133 W N 0.990 122.278 121.300 -0.021 0.000 2.335 133 W HA -0.221 4.440 4.660 0.001 0.000 0.311 133 W C 2.134 178.651 176.519 -0.004 0.000 1.213 133 W CA 1.443 58.807 57.345 0.033 0.000 1.274 133 W CB -0.564 28.919 29.460 0.038 0.000 1.148 133 W HN 0.199 nan 8.180 nan 0.000 0.498 134 L N -0.372 120.963 121.223 0.186 0.000 2.131 134 L HA -0.228 4.112 4.340 0.001 0.000 0.210 134 L C 2.581 179.501 176.870 0.083 0.000 1.092 134 L CA 1.199 56.112 54.840 0.122 0.000 0.759 134 L CB -1.229 40.855 42.059 0.041 0.000 0.903 134 L HN 0.022 nan 8.230 nan 0.000 0.435 135 A N 0.158 122.934 122.820 -0.074 0.000 1.902 135 A HA -0.167 4.153 4.320 0.001 0.000 0.217 135 A C 2.236 179.688 177.584 -0.220 0.000 1.181 135 A CA 1.311 53.156 52.037 -0.320 0.000 0.623 135 A CB -0.670 17.742 19.000 -0.979 0.000 0.818 135 A HN 0.354 nan 8.150 nan 0.000 0.443 136 L N -0.104 121.064 121.223 -0.091 0.000 2.127 136 L HA -0.162 4.178 4.340 0.001 0.000 0.211 136 L C 2.107 179.187 176.870 0.350 0.000 1.089 136 L CA 1.477 56.465 54.840 0.247 0.000 0.757 136 L CB -0.270 41.923 42.059 0.223 0.000 0.899 136 L HN 0.471 nan 8.230 nan 0.000 0.434 137 V N -3.948 116.141 119.914 0.291 0.000 3.542 137 V HA 0.480 4.600 4.120 0.001 0.000 0.296 137 V C 1.226 177.468 176.094 0.247 0.000 1.364 137 V CA 0.232 62.730 62.300 0.330 0.000 1.118 137 V CB -0.333 31.671 31.823 0.302 0.000 0.972 137 V HN 0.444 nan 8.190 nan 0.000 0.430 138 G N 1.009 109.929 108.800 0.200 0.000 2.147 138 G HA2 -0.213 3.748 3.960 0.001 0.000 0.244 138 G HA3 -0.213 3.748 3.960 0.001 0.000 0.244 138 G C 0.283 175.285 174.900 0.171 0.000 1.005 138 G CA 0.473 45.676 45.100 0.171 0.000 0.713 138 G HN 0.552 nan 8.290 nan 0.000 0.515 139 E N -1.283 119.032 120.200 0.192 0.000 2.501 139 E HA 0.332 4.682 4.350 0.001 0.000 0.200 139 E C -0.297 176.518 176.600 0.357 0.000 1.016 139 E CA -0.180 56.365 56.400 0.240 0.000 0.921 139 E CB 0.463 30.283 29.700 0.200 0.000 1.034 139 E HN 0.667 nan 8.360 nan 0.000 0.468 140 Y N 0.707 121.069 120.300 0.103 0.000 2.474 140 Y HA 0.216 4.766 4.550 0.001 0.000 0.326 140 Y C -2.650 173.260 175.900 0.016 0.000 1.160 140 Y CA -2.254 55.907 58.100 0.101 0.000 1.056 140 Y CB 1.868 40.341 38.460 0.022 0.000 1.330 140 Y HN -0.168 nan 8.280 nan 0.000 0.447 141 P HA 0.003 nan 4.420 nan 0.000 0.271 141 P C 0.218 177.418 177.300 -0.166 0.000 1.233 141 P CA 0.350 63.284 63.100 -0.276 0.000 0.764 141 P CB 0.591 32.101 31.700 -0.317 0.000 0.825 142 W N 2.583 123.872 121.300 -0.018 0.000 2.364 142 W HA -0.166 4.495 4.660 0.001 0.000 0.281 142 W C 1.912 178.499 176.519 0.113 0.000 1.219 142 W CA 1.068 58.456 57.345 0.071 0.000 1.220 142 W CB -0.470 29.020 29.460 0.051 0.000 1.127 142 W HN 0.431 nan 8.180 nan 0.000 0.556 143 E N -0.028 120.318 120.200 0.243 0.000 2.204 143 E HA -0.157 4.193 4.350 0.001 0.000 0.195 143 E C 1.275 177.797 176.600 -0.131 0.000 0.990 143 E CA 1.113 57.568 56.400 0.091 0.000 0.821 143 E CB -0.271 29.425 29.700 -0.007 0.000 0.750 143 E HN 0.165 nan 8.360 nan 0.000 0.477 144 K N 0.635 121.000 120.400 -0.058 0.000 2.577 144 K HA 0.189 4.509 4.320 0.001 0.000 0.210 144 K C -0.708 176.015 176.600 0.205 0.000 1.048 144 K CA -0.015 56.258 56.287 -0.023 0.000 1.188 144 K CB 0.849 33.273 32.500 -0.126 0.000 0.910 144 K HN -0.060 nan 8.250 nan 0.000 0.483 145 V N 2.204 122.292 119.914 0.290 0.000 2.540 145 V HA 0.229 4.350 4.120 0.001 0.000 0.302 145 V C -2.481 173.856 176.094 0.406 0.000 1.035 145 V CA -2.603 59.899 62.300 0.337 0.000 0.873 145 V CB 1.702 33.701 31.823 0.294 0.000 0.992 145 V HN 0.040 nan 8.190 nan 0.000 0.428 146 P HA 0.085 nan 4.420 nan 0.000 0.261 146 P C -0.398 177.018 177.300 0.193 0.000 1.183 146 P CA 0.046 63.328 63.100 0.304 0.000 0.761 146 P CB 0.282 32.156 31.700 0.291 0.000 0.785 147 M N 5.129 124.763 119.600 0.057 0.000 2.216 147 M HA 0.278 4.758 4.480 0.001 0.000 0.356 147 M C -1.082 175.112 176.300 -0.177 0.000 1.205 147 M CA 0.065 55.272 55.300 -0.156 0.000 1.122 147 M CB 0.677 33.024 32.600 -0.422 0.000 1.571 147 M HN 0.003 nan 8.290 nan 0.000 0.464 148 V N 8.167 127.923 119.914 -0.263 0.000 2.398 148 V HA 0.443 4.563 4.120 0.001 0.000 0.282 148 V C -2.254 173.683 176.094 -0.262 0.000 1.014 148 V CA -1.235 60.872 62.300 -0.323 0.000 0.838 148 V CB 1.184 32.656 31.823 -0.586 0.000 1.018 148 V HN 0.800 nan 8.190 nan 0.000 0.432 149 P HA 0.244 nan 4.420 nan 0.000 0.275 149 P C -2.458 174.748 177.300 -0.156 0.000 1.227 149 P CA -1.542 61.480 63.100 -0.129 0.000 0.781 149 P CB 1.467 33.149 31.700 -0.030 0.000 0.906 150 P HA -0.134 nan 4.420 nan 0.000 0.220 150 P C 1.158 178.322 177.300 -0.226 0.000 1.148 150 P CA 1.406 64.389 63.100 -0.195 0.000 0.803 150 P CB 0.011 31.618 31.700 -0.156 0.000 0.782 151 E N -0.590 119.560 120.200 -0.083 0.000 2.267 151 E HA -0.157 4.194 4.350 0.001 0.000 0.197 151 E C 1.795 178.356 176.600 -0.064 0.000 0.998 151 E CA 0.446 56.860 56.400 0.023 0.000 0.830 151 E CB -1.147 28.725 29.700 0.287 0.000 0.751 151 E HN 0.279 nan 8.360 nan 0.000 0.491 152 I N 0.154 120.653 120.570 -0.118 0.000 2.502 152 I HA -0.295 3.876 4.170 0.001 0.000 0.258 152 I C 1.173 177.178 176.117 -0.187 0.000 1.172 152 I CA 0.983 62.211 61.300 -0.120 0.000 1.430 152 I CB 0.076 37.967 38.000 -0.183 0.000 1.086 152 I HN 0.156 nan 8.210 nan 0.000 0.440 153 M N -0.280 119.110 119.600 -0.349 0.000 2.629 153 M HA -0.134 4.347 4.480 0.001 0.000 0.257 153 M C 1.467 177.557 176.300 -0.350 0.000 1.071 153 M CA 1.306 56.355 55.300 -0.418 0.000 1.077 153 M CB -1.082 31.194 32.600 -0.540 0.000 1.423 153 M HN 0.232 nan 8.290 nan 0.000 0.508 154 F N -0.092 119.837 119.950 -0.035 0.000 2.698 154 F HA 0.198 4.726 4.527 0.001 0.000 0.295 154 F C 1.028 176.823 175.800 -0.008 0.000 1.124 154 F CA -0.503 57.484 58.000 -0.022 0.000 1.426 154 F CB -0.592 38.391 39.000 -0.029 0.000 1.120 154 F HN -0.078 nan 8.300 nan 0.000 0.583 155 L N 0.794 122.103 121.223 0.143 0.000 2.559 155 L HA 0.161 4.502 4.340 0.001 0.000 0.274 155 L C 1.199 178.135 176.870 0.109 0.000 1.205 155 L CA -0.177 54.726 54.840 0.106 0.000 0.907 155 L CB -0.516 41.589 42.059 0.077 0.000 1.153 155 L HN 0.127 nan 8.230 nan 0.000 0.490 156 G N 2.451 111.310 108.800 0.099 0.000 2.634 156 G HA2 0.105 4.066 3.960 0.001 0.000 0.255 156 G HA3 0.105 4.066 3.960 0.001 0.000 0.255 156 G C 0.731 175.697 174.900 0.110 0.000 1.205 156 G CA -0.537 44.621 45.100 0.096 0.000 0.884 156 G HN 0.776 nan 8.290 nan 0.000 0.549 157 K N -0.029 120.431 120.400 0.100 0.000 2.077 157 K HA -0.161 4.160 4.320 0.001 0.000 0.213 157 K C 1.427 178.077 176.600 0.083 0.000 1.051 157 K CA 1.486 57.827 56.287 0.091 0.000 0.929 157 K CB -0.057 32.448 32.500 0.008 0.000 0.715 157 K HN 0.497 nan 8.250 nan 0.000 0.451 158 R N 1.293 121.827 120.500 0.055 0.000 3.559 158 R HA 0.320 4.660 4.340 0.001 0.000 0.273 158 R C -0.608 175.718 176.300 0.044 0.000 1.423 158 R CA 0.089 56.215 56.100 0.045 0.000 1.581 158 R CB -0.199 30.117 30.300 0.027 0.000 1.338 158 R HN 0.083 nan 8.270 nan 0.000 0.667 159 M N 1.789 121.422 119.600 0.056 0.000 2.550 159 M HA 0.425 4.906 4.480 0.001 0.000 0.292 159 M C -2.552 173.777 176.300 0.050 0.000 1.221 159 M CA -2.232 53.098 55.300 0.049 0.000 0.873 159 M CB 3.706 36.339 32.600 0.055 0.000 1.727 159 M HN 0.010 nan 8.290 nan 0.000 0.459 160 P HA 0.082 nan 4.420 nan 0.000 0.265 160 P C -0.005 177.328 177.300 0.055 0.000 1.222 160 P CA 0.486 63.610 63.100 0.040 0.000 0.767 160 P CB 0.320 32.046 31.700 0.042 0.000 0.801 161 L N -0.490 120.755 121.223 0.036 0.000 4.613 161 L HA -0.265 4.075 4.340 0.001 0.000 0.409 161 L C 0.601 177.569 176.870 0.163 0.000 1.100 161 L CA 0.396 55.282 54.840 0.077 0.000 1.029 161 L CB -2.113 40.016 42.059 0.115 0.000 2.137 161 L HN 0.516 nan 8.230 nan 0.000 0.713 162 N N 1.172 119.943 118.700 0.119 0.000 2.479 162 N HA 0.258 4.998 4.740 0.001 0.000 0.257 162 N C 1.403 176.995 175.510 0.138 0.000 1.232 162 N CA 0.167 53.285 53.050 0.114 0.000 0.920 162 N CB 0.484 39.055 38.487 0.140 0.000 1.105 162 N HN 0.390 nan 8.380 nan 0.000 0.444 163 I N -2.375 118.166 120.570 -0.048 0.000 2.730 163 I HA -0.277 3.893 4.170 0.001 0.000 0.266 163 I C 0.187 176.172 176.117 -0.219 0.000 1.228 163 I CA 1.272 62.427 61.300 -0.242 0.000 1.445 163 I CB -0.534 37.061 38.000 -0.675 0.000 1.102 163 I HN 0.488 nan 8.210 nan 0.000 0.464 164 Y N 1.435 121.805 120.300 0.117 0.000 2.461 164 Y HA 0.196 4.747 4.550 0.001 0.000 0.277 164 Y C 1.981 177.943 175.900 0.103 0.000 1.182 164 Y CA 0.156 58.330 58.100 0.123 0.000 1.276 164 Y CB -0.207 38.316 38.460 0.105 0.000 1.087 164 Y HN 0.318 nan 8.280 nan 0.000 0.519 165 E N -0.819 119.485 120.200 0.174 0.000 2.452 165 E HA 0.058 4.408 4.350 0.001 0.000 0.197 165 E C -0.361 176.158 176.600 -0.136 0.000 1.022 165 E CA 0.025 56.423 56.400 -0.004 0.000 0.890 165 E CB 0.239 29.867 29.700 -0.119 0.000 0.918 165 E HN 0.199 nan 8.360 nan 0.000 0.496 166 F N 1.051 120.945 119.950 -0.093 0.000 2.370 166 F HA 0.335 4.863 4.527 0.001 0.000 0.324 166 F C 1.418 177.080 175.800 -0.231 0.000 1.116 166 F CA -0.586 57.313 58.000 -0.168 0.000 1.123 166 F CB 0.588 39.466 39.000 -0.203 0.000 1.238 166 F HN -0.206 nan 8.300 nan 0.000 0.536 167 G N 0.377 109.031 108.800 -0.244 0.000 2.406 167 G HA2 0.278 4.239 3.960 0.001 0.000 0.251 167 G HA3 0.278 4.239 3.960 0.001 0.000 0.251 167 G C 0.850 175.351 174.900 -0.665 0.000 1.271 167 G CA 0.061 44.761 45.100 -0.665 0.000 0.859 167 G HN 0.853 nan 8.290 nan 0.000 0.540 168 S N 1.398 116.894 115.700 -0.340 0.000 2.414 168 S HA -0.341 4.129 4.470 0.001 0.000 0.241 168 S C 1.903 176.369 174.600 -0.224 0.000 1.079 168 S CA 2.568 60.674 58.200 -0.156 0.000 1.087 168 S CB -0.903 62.222 63.200 -0.124 0.000 0.927 168 S HN 1.029 nan 8.310 nan 0.000 0.456 169 W N 2.059 123.353 121.300 -0.011 0.000 2.418 169 W HA 0.482 5.142 4.660 0.001 0.000 0.292 169 W C 2.480 179.073 176.519 0.123 0.000 1.213 169 W CA 0.424 57.791 57.345 0.038 0.000 1.283 169 W CB -0.913 28.646 29.460 0.166 0.000 1.119 169 W HN 0.351 nan 8.180 nan 0.000 0.542 170 A N 1.512 124.213 122.820 -0.198 0.000 1.897 170 A HA -0.074 4.246 4.320 0.001 0.000 0.215 170 A C 2.270 179.783 177.584 -0.119 0.000 1.181 170 A CA 1.646 53.693 52.037 0.018 0.000 0.620 170 A CB -0.943 18.071 19.000 0.023 0.000 0.821 170 A HN 0.382 nan 8.150 nan 0.000 0.443 171 R N -0.095 120.287 120.500 -0.197 0.000 2.115 171 R HA -0.215 4.126 4.340 0.001 0.000 0.239 171 R C 2.282 178.383 176.300 -0.333 0.000 1.133 171 R CA 1.964 57.867 56.100 -0.328 0.000 0.935 171 R CB -0.536 29.648 30.300 -0.193 0.000 0.853 171 R HN 0.415 nan 8.270 nan 0.000 0.433 172 A N -0.198 122.583 122.820 -0.065 0.000 1.940 172 A HA -0.152 4.168 4.320 0.001 0.000 0.219 172 A C 2.209 179.817 177.584 0.040 0.000 1.176 172 A CA 2.134 54.237 52.037 0.111 0.000 0.631 172 A CB -0.840 18.349 19.000 0.315 0.000 0.814 172 A HN 0.557 nan 8.150 nan 0.000 0.446 173 T N -0.405 114.194 114.554 0.074 0.000 2.777 173 T HA -0.092 4.258 4.350 0.001 0.000 0.266 173 T C 1.897 176.561 174.700 -0.060 0.000 1.040 173 T CA 1.471 63.655 62.100 0.140 0.000 1.141 173 T CB -0.440 68.617 68.868 0.314 0.000 0.868 173 T HN 0.175 nan 8.240 nan 0.000 0.444 174 V N 1.510 121.294 119.914 -0.216 0.000 2.287 174 V HA -0.170 3.950 4.120 0.001 0.000 0.248 174 V C 2.699 178.540 176.094 -0.423 0.000 1.053 174 V CA 1.425 63.470 62.300 -0.425 0.000 1.027 174 V CB -0.880 30.516 31.823 -0.711 0.000 0.646 174 V HN 0.313 nan 8.190 nan 0.000 0.447 175 V N 0.409 120.054 119.914 -0.447 0.000 2.287 175 V HA -0.287 3.833 4.120 0.001 0.000 0.248 175 V C 2.731 178.677 176.094 -0.248 0.000 1.053 175 V CA 2.175 64.221 62.300 -0.424 0.000 1.027 175 V CB -1.287 30.194 31.823 -0.569 0.000 0.646 175 V HN 0.564 nan 8.190 nan 0.000 0.447 176 A N -0.265 122.456 122.820 -0.165 0.000 1.877 176 A HA -0.145 4.176 4.320 0.001 0.000 0.216 176 A C 2.219 179.723 177.584 -0.132 0.000 1.186 176 A CA 1.833 53.804 52.037 -0.110 0.000 0.620 176 A CB -0.556 18.420 19.000 -0.040 0.000 0.822 176 A HN 0.506 nan 8.150 nan 0.000 0.443 177 L N 0.559 121.667 121.223 -0.191 0.000 2.141 177 L HA -0.167 4.173 4.340 0.001 0.000 0.209 177 L C 3.017 179.738 176.870 -0.249 0.000 1.094 177 L CA 1.360 56.056 54.840 -0.240 0.000 0.763 177 L CB -0.596 41.257 42.059 -0.344 0.000 0.908 177 L HN 0.640 nan 8.230 nan 0.000 0.437 178 S N 0.551 116.080 115.700 -0.285 0.000 2.374 178 S HA -0.241 4.230 4.470 0.001 0.000 0.227 178 S C 1.904 176.370 174.600 -0.223 0.000 1.037 178 S CA 1.315 59.350 58.200 -0.275 0.000 1.024 178 S CB -0.779 62.248 63.200 -0.288 0.000 0.861 178 S HN 0.377 nan 8.310 nan 0.000 0.456 179 I N 1.388 121.846 120.570 -0.188 0.000 2.179 179 I HA -0.145 4.026 4.170 0.001 0.000 0.242 179 I C 2.538 178.558 176.117 -0.162 0.000 1.088 179 I CA 1.260 62.468 61.300 -0.154 0.000 1.357 179 I CB -0.602 37.332 38.000 -0.110 0.000 1.051 179 I HN 0.237 nan 8.210 nan 0.000 0.409 180 V N 0.753 120.582 119.914 -0.142 0.000 2.261 180 V HA -0.307 3.814 4.120 0.001 0.000 0.246 180 V C 2.411 178.345 176.094 -0.266 0.000 1.047 180 V CA 1.970 64.193 62.300 -0.128 0.000 1.015 180 V CB -0.571 31.234 31.823 -0.030 0.000 0.642 180 V HN 0.401 nan 8.190 nan 0.000 0.446 181 M N -0.140 119.306 119.600 -0.257 0.000 2.460 181 M HA -0.118 4.362 4.480 0.001 0.000 0.263 181 M C 2.385 178.435 176.300 -0.415 0.000 1.071 181 M CA 1.491 56.570 55.300 -0.368 0.000 1.096 181 M CB -0.517 31.965 32.600 -0.197 0.000 1.408 181 M HN 0.423 nan 8.290 nan 0.000 0.463 182 S N 0.517 116.019 115.700 -0.330 0.000 2.383 182 S HA -0.056 4.414 4.470 0.001 0.000 0.227 182 S C 1.953 176.337 174.600 -0.360 0.000 1.026 182 S CA 1.013 59.023 58.200 -0.316 0.000 0.981 182 S CB 0.070 63.125 63.200 -0.242 0.000 0.818 182 S HN 0.384 nan 8.310 nan 0.000 0.472 183 R N 0.570 120.852 120.500 -0.364 0.000 2.282 183 R HA 0.277 4.617 4.340 0.001 0.000 0.195 183 R C 0.141 176.140 176.300 -0.502 0.000 0.909 183 R CA 0.085 55.972 56.100 -0.355 0.000 1.039 183 R CB -0.789 29.361 30.300 -0.250 0.000 1.015 183 R HN 0.561 nan 8.270 nan 0.000 0.513 184 Q N 1.568 120.891 119.800 -0.795 0.000 2.437 184 Q HA -0.141 4.199 4.340 0.001 0.000 0.354 184 Q C -2.035 173.447 176.000 -0.862 0.000 1.402 184 Q CA 0.158 55.087 55.803 -1.457 0.000 1.020 184 Q CB -1.278 26.649 28.738 -1.352 0.000 1.220 184 Q HN 0.300 nan 8.270 nan 0.000 0.368 185 P HA 0.281 nan 4.420 nan 0.000 0.274 185 P C -0.333 176.880 177.300 -0.146 0.000 1.237 185 P CA -0.266 62.641 63.100 -0.323 0.000 0.793 185 P CB 1.277 32.790 31.700 -0.311 0.000 0.977 186 V N 2.301 121.988 119.914 -0.379 0.000 2.623 186 V HA 0.296 4.416 4.120 0.001 0.000 0.304 186 V C -0.651 175.191 176.094 -0.420 0.000 1.054 186 V CA -0.260 61.940 62.300 -0.166 0.000 0.882 186 V CB 1.308 33.148 31.823 0.029 0.000 1.002 186 V HN 0.333 nan 8.190 nan 0.000 0.424 187 F N 5.148 125.199 119.950 0.169 0.000 2.371 187 F HA 0.448 4.975 4.527 0.001 0.000 0.343 187 F C -2.205 173.758 175.800 0.272 0.000 1.150 187 F CA -2.664 55.418 58.000 0.136 0.000 1.220 187 F CB 0.912 39.936 39.000 0.041 0.000 1.475 187 F HN 0.301 nan 8.300 nan 0.000 0.521 188 P HA -0.102 nan 4.420 nan 0.000 0.259 188 P C -0.215 177.300 177.300 0.358 0.000 1.155 188 P CA 0.669 63.937 63.100 0.281 0.000 0.759 188 P CB 0.529 32.338 31.700 0.182 0.000 0.753 189 L N 6.180 127.553 121.223 0.249 0.000 2.375 189 L HA 0.395 4.736 4.340 0.001 0.000 0.271 189 L C -1.523 175.419 176.870 0.121 0.000 1.107 189 L CA -2.176 52.748 54.840 0.140 0.000 0.806 189 L CB 0.336 42.454 42.059 0.098 0.000 1.146 189 L HN 0.278 nan 8.230 nan 0.000 0.447 190 P HA 0.048 nan 4.420 nan 0.000 0.269 190 P C -0.132 177.190 177.300 0.037 0.000 1.215 190 P CA -0.262 62.867 63.100 0.049 0.000 0.780 190 P CB 0.833 32.533 31.700 -0.001 0.000 0.898 191 E N 0.890 121.114 120.200 0.039 0.000 2.147 191 E HA -0.236 4.115 4.350 0.001 0.000 0.199 191 E C 2.153 178.769 176.600 0.026 0.000 1.005 191 E CA 1.387 57.811 56.400 0.040 0.000 0.810 191 E CB -0.384 29.337 29.700 0.035 0.000 0.736 191 E HN 0.433 nan 8.360 nan 0.000 0.460 192 R N 0.131 120.632 120.500 0.001 0.000 2.117 192 R HA -0.146 4.195 4.340 0.001 0.000 0.243 192 R C 1.600 177.890 176.300 -0.017 0.000 1.143 192 R CA 1.608 57.698 56.100 -0.017 0.000 0.968 192 R CB -0.153 30.115 30.300 -0.053 0.000 0.863 192 R HN 0.243 nan 8.270 nan 0.000 0.444 193 A N 0.776 123.585 122.820 -0.018 0.000 2.348 193 A HA 0.169 4.490 4.320 0.001 0.000 0.224 193 A C -0.107 177.514 177.584 0.060 0.000 1.227 193 A CA -0.407 51.634 52.037 0.006 0.000 0.885 193 A CB 0.118 19.122 19.000 0.007 0.000 0.933 193 A HN 0.068 nan 8.150 nan 0.000 0.506 194 R N 0.258 120.802 120.500 0.072 0.000 2.585 194 R HA 0.116 4.456 4.340 0.001 0.000 0.275 194 R C 0.164 176.539 176.300 0.125 0.000 1.018 194 R CA 0.343 56.506 56.100 0.105 0.000 1.072 194 R CB 0.059 30.419 30.300 0.100 0.000 0.953 194 R HN 0.314 nan 8.270 nan 0.000 0.419 195 V N 1.024 121.030 119.914 0.154 0.000 2.622 195 V HA 0.185 4.305 4.120 0.001 0.000 0.296 195 V C -1.506 174.700 176.094 0.186 0.000 1.174 195 V CA -1.266 61.146 62.300 0.187 0.000 1.391 195 V CB 0.832 32.782 31.823 0.211 0.000 1.553 195 V HN 0.530 nan 8.190 nan 0.000 0.581 196 P HA -0.201 nan 4.420 nan 0.000 0.218 196 P C 1.496 178.939 177.300 0.239 0.000 1.149 196 P CA 1.811 65.071 63.100 0.268 0.000 0.817 196 P CB 0.317 32.131 31.700 0.190 0.000 0.785 197 E N 0.915 121.208 120.200 0.155 0.000 2.333 197 E HA -0.169 4.182 4.350 0.001 0.000 0.200 197 E C 1.972 178.589 176.600 0.028 0.000 1.010 197 E CA 0.850 57.308 56.400 0.097 0.000 0.841 197 E CB -1.333 28.417 29.700 0.084 0.000 0.757 197 E HN 0.345 nan 8.360 nan 0.000 0.508 198 L N -0.446 120.764 121.223 -0.021 0.000 2.456 198 L HA -0.107 4.234 4.340 0.001 0.000 0.224 198 L C 1.760 178.498 176.870 -0.221 0.000 1.148 198 L CA 0.935 55.668 54.840 -0.178 0.000 0.825 198 L CB -0.421 41.485 42.059 -0.255 0.000 0.937 198 L HN 0.052 nan 8.230 nan 0.000 0.450 199 Y N -0.401 119.916 120.300 0.030 0.000 2.441 199 Y HA 0.052 4.602 4.550 0.001 0.000 0.288 199 Y C 1.122 177.032 175.900 0.016 0.000 1.118 199 Y CA -0.515 57.605 58.100 0.034 0.000 1.215 199 Y CB 0.051 38.542 38.460 0.053 0.000 1.118 199 Y HN 0.060 nan 8.280 nan 0.000 0.547 200 E N 1.644 121.944 120.200 0.167 0.000 2.311 200 E HA 0.089 4.440 4.350 0.001 0.000 0.247 200 E C -0.673 175.956 176.600 0.048 0.000 1.215 200 E CA 0.591 57.047 56.400 0.093 0.000 0.957 200 E CB -0.192 29.550 29.700 0.071 0.000 1.020 200 E HN 0.082 nan 8.360 nan 0.000 0.461 201 T N 1.603 116.186 114.554 0.048 0.000 3.003 201 T HA 0.026 4.376 4.350 0.001 0.000 0.354 201 T C -0.156 174.560 174.700 0.026 0.000 1.651 201 T CA -0.912 61.201 62.100 0.021 0.000 1.103 201 T CB 1.091 69.959 68.868 -0.000 0.000 1.450 201 T HN 0.513 nan 8.240 nan 0.000 0.484 202 D N 0.393 120.803 120.400 0.016 0.000 2.388 202 D HA 0.045 4.686 4.640 0.001 0.000 0.208 202 D C 0.819 177.127 176.300 0.013 0.000 1.035 202 D CA 0.206 54.217 54.000 0.017 0.000 0.875 202 D CB 0.052 40.861 40.800 0.015 0.000 0.984 202 D HN 0.307 nan 8.370 nan 0.000 0.508 203 V N 4.028 123.944 119.914 0.005 0.000 2.694 203 V HA 0.061 4.181 4.120 0.001 0.000 0.306 203 V C -1.797 174.301 176.094 0.007 0.000 1.054 203 V CA -0.778 61.522 62.300 0.000 0.000 1.161 203 V CB 0.336 32.149 31.823 -0.017 0.000 0.916 203 V HN 0.168 nan 8.190 nan 0.000 0.490 204 P HA 0.142 nan 4.420 nan 0.000 0.267 204 P C -2.452 174.857 177.300 0.016 0.000 1.209 204 P CA -1.300 61.811 63.100 0.018 0.000 0.763 204 P CB 0.125 31.836 31.700 0.019 0.000 0.816 205 P HA 0.016 nan 4.420 nan 0.000 0.264 205 P C 0.090 177.405 177.300 0.025 0.000 1.236 205 P CA 0.172 63.287 63.100 0.025 0.000 0.811 205 P CB 0.179 31.907 31.700 0.046 0.000 0.840 206 R N 3.837 124.347 120.500 0.015 0.000 2.593 206 R HA 0.347 4.688 4.340 0.001 0.000 0.282 206 R C 0.113 176.429 176.300 0.026 0.000 1.300 206 R CA -0.731 55.383 56.100 0.023 0.000 1.221 206 R CB 0.493 30.806 30.300 0.021 0.000 1.157 206 R HN 0.344 nan 8.270 nan 0.000 0.555 207 R N 2.532 123.052 120.500 0.034 0.000 2.539 207 R HA 0.146 4.486 4.340 0.001 0.000 0.275 207 R C -0.423 175.901 176.300 0.039 0.000 1.077 207 R CA -0.528 55.593 56.100 0.035 0.000 1.097 207 R CB 0.942 31.269 30.300 0.045 0.000 1.018 207 R HN 0.546 nan 8.270 nan 0.000 0.483 208 R N 1.633 122.154 120.500 0.035 0.000 2.357 208 R HA 0.277 4.618 4.340 0.001 0.000 0.296 208 R C -0.294 176.027 176.300 0.034 0.000 1.052 208 R CA -0.125 55.999 56.100 0.040 0.000 0.988 208 R CB 1.261 31.588 30.300 0.045 0.000 1.025 208 R HN 0.811 nan 8.270 nan 0.000 0.469 209 G N 1.523 110.347 108.800 0.040 0.000 2.531 209 G HA2 0.517 4.477 3.960 0.001 0.000 0.313 209 G HA3 0.517 4.477 3.960 0.001 0.000 0.313 209 G C -0.787 174.126 174.900 0.022 0.000 1.238 209 G CA -0.564 44.561 45.100 0.041 0.000 0.994 209 G HN 0.827 nan 8.290 nan 0.000 0.493 210 A N -0.224 122.611 122.820 0.026 0.000 2.547 210 A HA 0.272 4.592 4.320 0.001 0.000 0.233 210 A C 1.748 179.323 177.584 -0.016 0.000 1.067 210 A CA 0.097 52.129 52.037 -0.009 0.000 0.763 210 A CB 0.294 19.300 19.000 0.010 0.000 1.007 210 A HN 0.570 nan 8.150 nan 0.000 0.506 211 K N 1.822 122.180 120.400 -0.069 0.000 2.020 211 K HA -0.167 4.154 4.320 0.001 0.000 0.212 211 K C 1.583 178.153 176.600 -0.049 0.000 1.050 211 K CA 2.062 58.304 56.287 -0.076 0.000 0.929 211 K CB -0.675 31.750 32.500 -0.127 0.000 0.714 211 K HN 0.828 nan 8.250 nan 0.000 0.443 212 G N -0.042 108.710 108.800 -0.081 0.000 3.523 212 G HA2 0.412 4.372 3.960 0.001 0.000 0.270 212 G HA3 0.412 4.372 3.960 0.001 0.000 0.270 212 G C -0.017 175.019 174.900 0.226 0.000 1.134 212 G CA 0.281 45.382 45.100 0.001 0.000 0.825 212 G HN 0.494 nan 8.290 nan 0.000 0.534 213 G N -1.442 107.472 108.800 0.190 0.000 2.784 213 G HA2 0.439 4.400 3.960 0.001 0.000 0.686 213 G HA3 0.439 4.400 3.960 0.001 0.000 0.686 213 G C 0.046 175.094 174.900 0.248 0.000 1.156 213 G CA -0.408 44.813 45.100 0.202 0.000 0.757 213 G HN 0.988 nan 8.290 nan 0.000 0.642 214 G N 0.193 109.097 108.800 0.174 0.000 2.319 214 G HA2 0.749 4.709 3.960 0.001 0.000 0.308 214 G HA3 0.749 4.709 3.960 0.001 0.000 0.308 214 G C 0.541 175.566 174.900 0.208 0.000 1.117 214 G CA 0.500 45.720 45.100 0.200 0.000 0.903 214 G HN 1.561 nan 8.290 nan 0.000 0.436 215 G N 2.441 111.420 108.800 0.299 0.000 2.325 215 G HA2 0.370 4.331 3.960 0.001 0.000 0.298 215 G HA3 0.370 4.331 3.960 0.001 0.000 0.298 215 G C 1.038 175.935 174.900 -0.006 0.000 1.134 215 G CA -0.646 44.516 45.100 0.103 0.000 0.876 215 G HN 0.817 nan 8.290 nan 0.000 0.452 216 W N 3.750 125.049 121.300 -0.001 0.000 2.336 216 W HA -0.211 4.449 4.660 0.001 0.000 0.277 216 W C 0.834 177.314 176.519 -0.064 0.000 1.211 216 W CA 0.485 57.823 57.345 -0.011 0.000 1.187 216 W CB -0.718 28.727 29.460 -0.024 0.000 1.132 216 W HN 0.394 nan 8.180 nan 0.000 0.562 217 I N 0.929 120.799 120.570 -1.167 0.000 2.090 217 I HA -0.243 3.928 4.170 0.001 0.000 0.236 217 I C 2.529 178.284 176.117 -0.604 0.000 1.064 217 I CA 1.763 62.326 61.300 -1.227 0.000 1.324 217 I CB -1.552 35.556 38.000 -1.486 0.000 1.044 217 I HN -0.253 nan 8.210 nan 0.000 0.399 218 F N 0.797 120.617 119.950 -0.215 0.000 2.126 218 F HA -0.223 4.305 4.527 0.001 0.000 0.299 218 F C 2.396 178.193 175.800 -0.004 0.000 1.096 218 F CA 1.719 59.676 58.000 -0.072 0.000 1.255 218 F CB -1.258 37.730 39.000 -0.019 0.000 0.997 218 F HN 0.144 nan 8.300 nan 0.000 0.479 219 D N 0.098 120.611 120.400 0.189 0.000 2.133 219 D HA -0.200 4.440 4.640 0.001 0.000 0.195 219 D C 2.183 178.568 176.300 0.142 0.000 0.997 219 D CA 1.531 55.635 54.000 0.173 0.000 0.840 219 D CB -0.201 40.707 40.800 0.180 0.000 0.947 219 D HN 0.176 nan 8.370 nan 0.000 0.452 220 A N -0.070 122.812 122.820 0.103 0.000 1.854 220 A HA -0.044 4.276 4.320 0.001 0.000 0.214 220 A C 2.133 179.765 177.584 0.080 0.000 1.192 220 A CA 1.311 53.410 52.037 0.104 0.000 0.611 220 A CB -1.036 18.033 19.000 0.115 0.000 0.832 220 A HN 0.374 nan 8.150 nan 0.000 0.442 221 L N 0.730 121.973 121.223 0.034 0.000 2.051 221 L HA -0.244 4.096 4.340 0.001 0.000 0.214 221 L C 1.843 178.773 176.870 0.101 0.000 1.076 221 L CA 2.999 57.866 54.840 0.046 0.000 0.758 221 L CB -0.961 41.119 42.059 0.034 0.000 0.890 221 L HN 0.527 nan 8.230 nan 0.000 0.433 222 D N -0.743 119.744 120.400 0.145 0.000 2.087 222 D HA -0.235 4.406 4.640 0.001 0.000 0.192 222 D C 2.251 178.703 176.300 0.255 0.000 0.993 222 D CA 1.915 56.031 54.000 0.193 0.000 0.828 222 D CB -0.070 40.868 40.800 0.231 0.000 0.968 222 D HN 0.384 nan 8.370 nan 0.000 0.448 223 R N 0.301 120.933 120.500 0.221 0.000 2.117 223 R HA -0.147 4.194 4.340 0.001 0.000 0.243 223 R C 2.411 178.823 176.300 0.187 0.000 1.143 223 R CA 1.301 57.521 56.100 0.200 0.000 0.968 223 R CB -0.528 29.848 30.300 0.127 0.000 0.863 223 R HN 0.199 nan 8.270 nan 0.000 0.444 224 A N 1.559 124.464 122.820 0.142 0.000 1.877 224 A HA -0.128 4.192 4.320 0.001 0.000 0.216 224 A C 2.244 179.915 177.584 0.145 0.000 1.186 224 A CA 1.238 53.344 52.037 0.115 0.000 0.620 224 A CB -0.561 18.480 19.000 0.068 0.000 0.822 224 A HN 0.192 nan 8.150 nan 0.000 0.443 225 L N -1.752 119.550 121.223 0.131 0.000 2.131 225 L HA -0.192 4.148 4.340 0.001 0.000 0.210 225 L C 2.500 179.434 176.870 0.107 0.000 1.092 225 L CA 1.524 56.438 54.840 0.124 0.000 0.759 225 L CB -0.612 41.468 42.059 0.036 0.000 0.903 225 L HN 0.494 nan 8.230 nan 0.000 0.435 226 H N -0.853 118.285 119.070 0.112 0.000 2.423 226 H HA -0.079 4.477 4.556 0.001 0.000 0.297 226 H C 2.205 177.587 175.328 0.090 0.000 1.075 226 H CA 1.245 57.347 56.048 0.089 0.000 1.342 226 H CB -0.047 29.763 29.762 0.081 0.000 1.395 226 H HN 0.310 nan 8.280 nan 0.000 0.530 227 G N -0.563 108.373 108.800 0.226 0.000 2.394 227 G HA2 -0.305 3.656 3.960 0.001 0.000 0.214 227 G HA3 -0.305 3.656 3.960 0.001 0.000 0.214 227 G C 1.477 176.488 174.900 0.185 0.000 1.176 227 G CA 0.596 45.797 45.100 0.169 0.000 0.786 227 G HN 0.421 nan 8.290 nan 0.000 0.533 228 Y N 1.375 121.722 120.300 0.077 0.000 2.207 228 Y HA -0.201 4.349 4.550 0.001 0.000 0.287 228 Y C 2.831 178.845 175.900 0.191 0.000 1.156 228 Y CA 2.001 60.154 58.100 0.089 0.000 1.182 228 Y CB -0.447 38.064 38.460 0.086 0.000 0.979 228 Y HN 0.293 nan 8.280 nan 0.000 0.521 229 Q N 0.878 120.716 119.800 0.065 0.000 2.234 229 Q HA -0.183 4.157 4.340 0.001 0.000 0.206 229 Q C 1.757 177.782 176.000 0.042 0.000 0.980 229 Q CA 1.968 57.736 55.803 -0.059 0.000 0.869 229 Q CB -0.204 28.485 28.738 -0.083 0.000 0.912 229 Q HN 0.495 nan 8.270 nan 0.000 0.436 230 K N -0.625 119.810 120.400 0.059 0.000 2.418 230 K HA 0.094 4.415 4.320 0.001 0.000 0.195 230 K C 0.264 176.864 176.600 0.001 0.000 1.035 230 K CA -0.147 56.160 56.287 0.034 0.000 1.003 230 K CB 0.107 32.629 32.500 0.037 0.000 0.793 230 K HN 0.221 nan 8.250 nan 0.000 0.494 231 L N 0.236 121.420 121.223 -0.065 0.000 2.461 231 L HA -0.065 4.276 4.340 0.001 0.000 0.259 231 L C 1.787 178.521 176.870 -0.226 0.000 1.248 231 L CA 0.109 54.821 54.840 -0.212 0.000 0.823 231 L CB 0.327 42.146 42.059 -0.400 0.000 1.111 231 L HN 0.039 nan 8.230 nan 0.000 0.516 232 S N -0.120 115.454 115.700 -0.211 0.000 2.478 232 S HA 0.087 4.558 4.470 0.001 0.000 0.222 232 S C -0.002 174.493 174.600 -0.174 0.000 1.008 232 S CA 0.001 58.120 58.200 -0.135 0.000 0.928 232 S CB 0.091 63.236 63.200 -0.091 0.000 0.781 232 S HN 0.417 nan 8.310 nan 0.000 0.518 233 V N 0.613 120.321 119.914 -0.344 0.000 2.733 233 V HA 0.652 4.772 4.120 0.001 0.000 0.306 233 V C -1.812 173.985 176.094 -0.495 0.000 1.084 233 V CA -0.954 61.179 62.300 -0.279 0.000 0.905 233 V CB 1.215 32.943 31.823 -0.158 0.000 1.010 233 V HN 0.290 nan 8.190 nan 0.000 0.424 234 H N 5.090 124.084 119.070 -0.127 0.000 2.645 234 H HA 0.537 5.093 4.556 0.001 0.000 0.257 234 H C -2.651 172.669 175.328 -0.014 0.000 1.269 234 H CA -1.724 54.278 56.048 -0.078 0.000 1.409 234 H CB 1.229 30.845 29.762 -0.243 0.000 1.434 234 H HN 0.635 nan 8.280 nan 0.000 0.505 235 P HA -0.112 nan 4.420 nan 0.000 0.261 235 P C -0.203 176.994 177.300 -0.172 0.000 1.183 235 P CA 0.326 63.250 63.100 -0.294 0.000 0.761 235 P CB 0.444 31.855 31.700 -0.481 0.000 0.785 236 F N -0.024 119.986 119.950 0.100 0.000 2.748 236 F HA -0.236 4.291 4.527 0.001 0.000 0.370 236 F C 1.927 177.866 175.800 0.232 0.000 0.620 236 F CA 1.182 59.261 58.000 0.130 0.000 1.233 236 F CB -2.129 36.888 39.000 0.028 0.000 1.708 236 F HN 0.354 nan 8.300 nan 0.000 0.298 237 R N 1.341 122.022 120.500 0.302 0.000 2.075 237 R HA -0.110 4.230 4.340 0.001 0.000 0.232 237 R C 2.316 178.700 176.300 0.139 0.000 1.126 237 R CA 1.830 58.060 56.100 0.216 0.000 0.963 237 R CB -0.274 30.089 30.300 0.105 0.000 0.858 237 R HN 0.474 nan 8.270 nan 0.000 0.435 238 R N 0.235 120.806 120.500 0.120 0.000 2.096 238 R HA -0.174 4.167 4.340 0.001 0.000 0.240 238 R C 2.025 178.391 176.300 0.109 0.000 1.139 238 R CA 1.921 58.069 56.100 0.080 0.000 0.952 238 R CB -0.486 29.858 30.300 0.073 0.000 0.854 238 R HN 0.336 nan 8.270 nan 0.000 0.436 239 A N 0.673 123.615 122.820 0.204 0.000 1.933 239 A HA -0.050 4.270 4.320 0.001 0.000 0.218 239 A C 2.422 180.090 177.584 0.140 0.000 1.175 239 A CA 1.564 53.735 52.037 0.225 0.000 0.628 239 A CB -0.808 18.408 19.000 0.361 0.000 0.814 239 A HN 0.593 nan 8.150 nan 0.000 0.444 240 A N 0.210 123.114 122.820 0.139 0.000 1.883 240 A HA -0.227 4.093 4.320 0.001 0.000 0.217 240 A C 1.918 179.395 177.584 -0.179 0.000 1.186 240 A CA 1.769 53.672 52.037 -0.223 0.000 0.624 240 A CB -0.640 18.295 19.000 -0.108 0.000 0.822 240 A HN 0.662 nan 8.150 nan 0.000 0.444 241 E N -0.237 119.917 120.200 -0.077 0.000 2.038 241 E HA -0.182 4.169 4.350 0.001 0.000 0.195 241 E C 1.946 178.517 176.600 -0.049 0.000 1.000 241 E CA 1.390 57.744 56.400 -0.077 0.000 0.803 241 E CB -0.417 29.249 29.700 -0.056 0.000 0.750 241 E HN 0.701 nan 8.360 nan 0.000 0.448 242 I N 1.029 121.592 120.570 -0.013 0.000 2.335 242 I HA -0.265 3.906 4.170 0.001 0.000 0.251 242 I C 2.508 178.633 176.117 0.013 0.000 1.129 242 I CA 0.826 62.133 61.300 0.013 0.000 1.402 242 I CB -0.285 37.738 38.000 0.038 0.000 1.069 242 I HN 0.048 nan 8.210 nan 0.000 0.424 243 R N 0.922 121.407 120.500 -0.025 0.000 2.081 243 R HA -0.092 4.249 4.340 0.001 0.000 0.235 243 R C 2.372 178.677 176.300 0.008 0.000 1.131 243 R CA 1.625 57.706 56.100 -0.031 0.000 0.960 243 R CB -0.881 29.316 30.300 -0.172 0.000 0.856 243 R HN 0.391 nan 8.270 nan 0.000 0.436 244 A N 1.207 123.994 122.820 -0.055 0.000 1.873 244 A HA -0.129 4.192 4.320 0.001 0.000 0.215 244 A C 2.198 179.835 177.584 0.087 0.000 1.186 244 A CA 1.012 53.031 52.037 -0.030 0.000 0.616 244 A CB -0.556 18.369 19.000 -0.125 0.000 0.823 244 A HN 0.210 nan 8.150 nan 0.000 0.442 245 L N 0.405 121.657 121.223 0.048 0.000 1.970 245 L HA -0.195 4.146 4.340 0.001 0.000 0.212 245 L C 1.718 178.661 176.870 0.123 0.000 1.071 245 L CA 2.690 57.572 54.840 0.069 0.000 0.751 245 L CB -0.876 41.201 42.059 0.029 0.000 0.889 245 L HN 0.363 nan 8.230 nan 0.000 0.432 246 D N -1.193 119.271 120.400 0.107 0.000 2.133 246 D HA -0.289 4.352 4.640 0.001 0.000 0.195 246 D C 1.847 178.226 176.300 0.132 0.000 0.997 246 D CA 1.680 55.741 54.000 0.101 0.000 0.840 246 D CB -0.553 40.296 40.800 0.081 0.000 0.947 246 D HN 0.612 nan 8.370 nan 0.000 0.452 247 W N 1.275 122.584 121.300 0.014 0.000 2.350 247 W HA -0.125 4.536 4.660 0.001 0.000 0.289 247 W C 2.057 178.633 176.519 0.095 0.000 1.215 247 W CA 1.085 58.444 57.345 0.024 0.000 1.236 247 W CB -0.187 29.264 29.460 -0.015 0.000 1.130 247 W HN -0.049 nan 8.180 nan 0.000 0.541 248 L N -0.527 120.936 121.223 0.400 0.000 2.068 248 L HA -0.165 4.175 4.340 0.001 0.000 0.204 248 L C 2.399 179.550 176.870 0.468 0.000 1.076 248 L CA 0.877 56.014 54.840 0.494 0.000 0.753 248 L CB -1.021 41.245 42.059 0.345 0.000 0.910 248 L HN -0.042 nan 8.230 nan 0.000 0.439 249 L N -0.241 121.147 121.223 0.274 0.000 2.191 249 L HA -0.201 4.139 4.340 0.001 0.000 0.212 249 L C 2.363 179.265 176.870 0.052 0.000 1.103 249 L CA 1.190 56.143 54.840 0.188 0.000 0.769 249 L CB -0.430 41.698 42.059 0.115 0.000 0.908 249 L HN 0.340 nan 8.230 nan 0.000 0.438 250 E N -0.103 120.066 120.200 -0.052 0.000 2.216 250 E HA -0.094 4.256 4.350 0.001 0.000 0.192 250 E C 1.624 178.047 176.600 -0.295 0.000 0.988 250 E CA 0.531 56.819 56.400 -0.186 0.000 0.834 250 E CB 0.146 29.668 29.700 -0.296 0.000 0.772 250 E HN 0.463 nan 8.360 nan 0.000 0.479 251 R N 0.937 121.256 120.500 -0.301 0.000 2.468 251 R HA 0.110 4.450 4.340 0.001 0.000 0.280 251 R C 0.367 176.606 176.300 -0.101 0.000 0.963 251 R CA -0.184 55.758 56.100 -0.263 0.000 1.083 251 R CB 0.311 30.343 30.300 -0.446 0.000 1.200 251 R HN 0.087 nan 8.270 nan 0.000 0.541 252 Q N 1.652 121.243 119.800 -0.347 0.000 2.274 252 Q HA 0.173 4.513 4.340 0.001 0.000 0.280 252 Q C -0.520 175.178 176.000 -0.503 0.000 1.047 252 Q CA -0.201 55.031 55.803 -0.953 0.000 0.907 252 Q CB 0.838 28.999 28.738 -0.962 0.000 1.171 252 Q HN 0.218 nan 8.270 nan 0.000 0.381 253 A N 3.496 126.000 122.820 -0.527 0.000 2.313 253 A HA 0.401 4.721 4.320 0.001 0.000 0.261 253 A C 1.179 178.579 177.584 -0.306 0.000 1.090 253 A CA 0.118 51.962 52.037 -0.321 0.000 0.807 253 A CB 0.296 19.158 19.000 -0.230 0.000 1.055 253 A HN 1.054 nan 8.150 nan 0.000 0.492 254 G N 0.530 109.192 108.800 -0.231 0.000 2.513 254 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 254 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 254 G C 0.764 175.576 174.900 -0.146 0.000 1.160 254 G CA 1.535 46.529 45.100 -0.177 0.000 0.767 254 G HN 0.924 nan 8.290 nan 0.000 0.571 255 D N -0.645 119.677 120.400 -0.129 0.000 2.392 255 D HA 0.234 4.875 4.640 0.001 0.000 0.228 255 D C 1.763 177.993 176.300 -0.117 0.000 1.003 255 D CA 1.115 55.076 54.000 -0.065 0.000 0.917 255 D CB -0.516 40.312 40.800 0.047 0.000 0.890 255 D HN 0.664 nan 8.370 nan 0.000 0.532 256 G N -0.574 108.070 108.800 -0.259 0.000 2.176 256 G HA2 -0.267 3.694 3.960 0.001 0.000 0.232 256 G HA3 -0.267 3.694 3.960 0.001 0.000 0.232 256 G C 0.485 175.014 174.900 -0.619 0.000 0.986 256 G CA 0.388 45.305 45.100 -0.304 0.000 0.643 256 G HN 0.843 nan 8.290 nan 0.000 0.522 257 S N -0.868 114.253 115.700 -0.964 0.000 2.694 257 S HA 0.732 5.202 4.470 0.001 0.000 0.278 257 S C -0.162 173.993 174.600 -0.741 0.000 1.152 257 S CA -0.596 56.650 58.200 -1.590 0.000 1.010 257 S CB 1.355 63.377 63.200 -1.965 0.000 1.104 257 S HN 0.547 nan 8.310 nan 0.000 0.547 258 W N 0.093 121.124 121.300 -0.449 0.000 2.499 258 W HA 0.480 5.140 4.660 0.001 0.000 0.320 258 W C 0.876 177.413 176.519 0.030 0.000 1.010 258 W CA -0.048 57.265 57.345 -0.054 0.000 1.267 258 W CB 1.181 30.695 29.460 0.090 0.000 1.316 258 W HN 1.288 nan 8.180 nan 0.000 0.431 259 G N 1.741 110.675 108.800 0.224 0.000 2.245 259 G HA2 -0.271 3.690 3.960 0.001 0.000 0.264 259 G HA3 -0.271 3.690 3.960 0.001 0.000 0.264 259 G C 0.988 175.987 174.900 0.165 0.000 0.985 259 G CA 0.580 45.754 45.100 0.123 0.000 0.625 259 G HN 1.596 nan 8.290 nan 0.000 0.536 260 G N -0.552 108.339 108.800 0.152 0.000 2.143 260 G HA2 -0.056 3.904 3.960 0.001 0.000 0.248 260 G HA3 -0.056 3.904 3.960 0.001 0.000 0.248 260 G C 0.375 175.500 174.900 0.375 0.000 0.991 260 G CA 0.994 46.243 45.100 0.248 0.000 0.689 260 G HN 2.201 nan 8.290 nan 0.000 0.522 261 I N -4.389 116.387 120.570 0.343 0.000 2.785 261 I HA 0.617 4.787 4.170 0.001 0.000 0.302 261 I C 1.129 177.508 176.117 0.436 0.000 1.069 261 I CA -1.190 60.332 61.300 0.369 0.000 1.045 261 I CB 1.696 39.858 38.000 0.270 0.000 1.236 261 I HN -0.055 nan 8.210 nan 0.000 0.429 262 Q N 3.213 123.221 119.800 0.347 0.000 2.061 262 Q HA -0.073 4.268 4.340 0.001 0.000 0.204 262 Q C -1.034 174.889 176.000 -0.127 0.000 0.984 262 Q CA 2.413 58.306 55.803 0.149 0.000 0.846 262 Q CB -1.265 27.440 28.738 -0.055 0.000 0.902 262 Q HN 0.668 nan 8.270 nan 0.000 0.421 263 P HA -0.160 nan 4.420 nan 0.000 0.202 263 P C -1.573 175.716 177.300 -0.019 0.000 1.121 263 P CA 2.546 65.539 63.100 -0.178 0.000 0.939 263 P CB -1.320 30.415 31.700 0.059 0.000 0.761 264 P HA -0.220 nan 4.420 nan 0.000 0.219 264 P C 1.481 178.965 177.300 0.307 0.000 1.146 264 P CA 1.463 64.770 63.100 0.345 0.000 0.808 264 P CB -0.517 31.371 31.700 0.313 0.000 0.779 265 W N 1.002 122.421 121.300 0.198 0.000 2.332 265 W HA -0.189 4.472 4.660 0.001 0.000 0.321 265 W C 2.056 178.690 176.519 0.192 0.000 1.219 265 W CA 0.988 58.510 57.345 0.294 0.000 1.277 265 W CB -1.675 28.013 29.460 0.380 0.000 1.161 265 W HN -0.158 nan 8.180 nan 0.000 0.476 266 F N -0.191 119.744 119.950 -0.024 0.000 2.069 266 F HA -0.243 4.284 4.527 0.001 0.000 0.298 266 F C 2.372 178.094 175.800 -0.129 0.000 1.113 266 F CA 1.950 59.822 58.000 -0.212 0.000 1.214 266 F CB -1.784 37.023 39.000 -0.321 0.000 0.978 266 F HN -0.138 nan 8.300 nan 0.000 0.474 267 Y N -0.017 120.414 120.300 0.217 0.000 2.165 267 Y HA -0.175 4.375 4.550 0.001 0.000 0.286 267 Y C 2.552 178.422 175.900 -0.051 0.000 1.155 267 Y CA 0.656 58.776 58.100 0.032 0.000 1.164 267 Y CB -1.638 36.828 38.460 0.009 0.000 0.978 267 Y HN 0.041 nan 8.280 nan 0.000 0.513 268 A N 0.173 122.988 122.820 -0.008 0.000 1.908 268 A HA -0.169 4.152 4.320 0.001 0.000 0.218 268 A C 2.338 179.802 177.584 -0.199 0.000 1.181 268 A CA 1.730 53.564 52.037 -0.339 0.000 0.627 268 A CB -1.155 17.190 19.000 -1.092 0.000 0.818 268 A HN 0.481 nan 8.150 nan 0.000 0.445 269 L N -0.614 120.583 121.223 -0.043 0.000 2.046 269 L HA -0.171 4.170 4.340 0.001 0.000 0.208 269 L C 2.473 179.437 176.870 0.157 0.000 1.077 269 L CA 1.234 56.133 54.840 0.097 0.000 0.747 269 L CB -0.471 41.616 42.059 0.046 0.000 0.896 269 L HN 0.394 nan 8.230 nan 0.000 0.432 270 I N -0.197 120.426 120.570 0.089 0.000 2.226 270 I HA -0.289 3.882 4.170 0.001 0.000 0.245 270 I C 2.796 178.961 176.117 0.080 0.000 1.100 270 I CA 1.123 62.469 61.300 0.076 0.000 1.374 270 I CB -0.541 37.503 38.000 0.074 0.000 1.057 270 I HN 0.206 nan 8.210 nan 0.000 0.413 271 A N 0.975 123.825 122.820 0.049 0.000 1.940 271 A HA -0.167 4.154 4.320 0.001 0.000 0.219 271 A C 2.307 179.907 177.584 0.026 0.000 1.176 271 A CA 1.505 53.550 52.037 0.013 0.000 0.631 271 A CB -0.763 18.214 19.000 -0.038 0.000 0.814 271 A HN 0.405 nan 8.150 nan 0.000 0.446 272 L N -1.183 120.084 121.223 0.073 0.000 2.109 272 L HA -0.129 4.211 4.340 0.001 0.000 0.207 272 L C 2.551 179.438 176.870 0.028 0.000 1.086 272 L CA 1.545 56.445 54.840 0.100 0.000 0.760 272 L CB -0.312 41.919 42.059 0.286 0.000 0.910 272 L HN 0.350 nan 8.230 nan 0.000 0.437 273 K N 1.113 121.542 120.400 0.048 0.000 2.002 273 K HA -0.176 4.144 4.320 0.001 0.000 0.209 273 K C 1.891 178.486 176.600 -0.009 0.000 1.048 273 K CA 1.649 57.898 56.287 -0.064 0.000 0.930 273 K CB -0.361 32.114 32.500 -0.043 0.000 0.714 273 K HN -0.006 nan 8.250 nan 0.000 0.438 274 I N 1.045 121.652 120.570 0.062 0.000 2.381 274 I HA -0.242 3.929 4.170 0.001 0.000 0.255 274 I C 1.419 177.537 176.117 0.002 0.000 1.140 274 I CA 1.374 62.714 61.300 0.066 0.000 1.404 274 I CB -0.835 37.194 38.000 0.048 0.000 1.075 274 I HN 0.201 nan 8.210 nan 0.000 0.433 275 L N 0.391 121.605 121.223 -0.014 0.000 2.791 275 L HA 0.154 4.495 4.340 0.001 0.000 0.239 275 L C -0.148 176.701 176.870 -0.036 0.000 1.203 275 L CA -0.173 54.652 54.840 -0.025 0.000 1.002 275 L CB -0.340 41.707 42.059 -0.021 0.000 1.295 275 L HN 0.133 nan 8.230 nan 0.000 0.504 276 D N 1.392 121.759 120.400 -0.054 0.000 2.735 276 D HA -0.224 4.416 4.640 0.001 0.000 0.235 276 D C 0.522 176.774 176.300 -0.080 0.000 1.175 276 D CA 1.108 55.063 54.000 -0.076 0.000 0.683 276 D CB -0.389 40.383 40.800 -0.047 0.000 1.008 276 D HN 0.435 nan 8.370 nan 0.000 0.416 277 M N -0.834 118.689 119.600 -0.129 0.000 2.625 277 M HA -0.005 4.475 4.480 0.001 0.000 0.396 277 M C 1.766 177.932 176.300 -0.224 0.000 1.174 277 M CA -0.023 55.235 55.300 -0.070 0.000 0.898 277 M CB 0.637 33.240 32.600 0.004 0.000 1.450 277 M HN 0.047 nan 8.290 nan 0.000 0.522 278 T N -1.246 112.993 114.554 -0.526 0.000 2.897 278 T HA -0.210 4.141 4.350 0.001 0.000 0.271 278 T C 1.086 175.544 174.700 -0.403 0.000 1.084 278 T CA 1.211 62.673 62.100 -1.064 0.000 1.123 278 T CB -0.357 68.037 68.868 -0.790 0.000 0.865 278 T HN 0.694 nan 8.240 nan 0.000 0.496 279 Q N 0.291 120.018 119.800 -0.121 0.000 2.263 279 Q HA 0.296 4.636 4.340 0.001 0.000 0.337 279 Q C -0.373 175.691 176.000 0.107 0.000 0.906 279 Q CA -0.768 55.052 55.803 0.029 0.000 1.124 279 Q CB 0.162 28.896 28.738 -0.007 0.000 1.255 279 Q HN 0.557 nan 8.270 nan 0.000 0.435 280 H N 0.640 119.770 119.070 0.099 0.000 2.492 280 H HA 0.282 4.838 4.556 0.001 0.000 0.345 280 H C -2.167 173.275 175.328 0.191 0.000 1.136 280 H CA -1.872 54.252 56.048 0.126 0.000 1.202 280 H CB 2.218 32.058 29.762 0.130 0.000 1.524 280 H HN -0.098 nan 8.280 nan 0.000 0.506 281 P HA -0.236 nan 4.420 nan 0.000 0.216 281 P C 1.205 178.727 177.300 0.370 0.000 1.167 281 P CA 2.883 66.077 63.100 0.156 0.000 0.914 281 P CB -0.100 31.593 31.700 -0.011 0.000 0.793 282 A N -1.523 121.658 122.820 0.600 0.000 1.927 282 A HA -0.260 4.061 4.320 0.001 0.000 0.220 282 A C 2.183 180.032 177.584 0.441 0.000 1.185 282 A CA 1.980 54.268 52.037 0.419 0.000 0.639 282 A CB -1.870 17.343 19.000 0.354 0.000 0.820 282 A HN 0.205 nan 8.150 nan 0.000 0.451 283 F N 0.847 121.011 119.950 0.357 0.000 2.075 283 F HA -0.171 4.357 4.527 0.001 0.000 0.297 283 F C 2.057 178.050 175.800 0.322 0.000 1.113 283 F CA 1.680 59.868 58.000 0.313 0.000 1.218 283 F CB -0.156 38.970 39.000 0.211 0.000 0.984 283 F HN 0.153 nan 8.300 nan 0.000 0.472 284 I N 0.802 121.638 120.570 0.445 0.000 2.069 284 I HA -0.347 3.824 4.170 0.001 0.000 0.237 284 I C 2.404 178.664 176.117 0.238 0.000 1.053 284 I CA 1.860 63.355 61.300 0.326 0.000 1.311 284 I CB -1.669 36.501 38.000 0.282 0.000 1.030 284 I HN 0.172 nan 8.210 nan 0.000 0.398 285 K N 1.408 121.931 120.400 0.205 0.000 2.020 285 K HA -0.167 4.153 4.320 0.001 0.000 0.212 285 K C 2.147 178.856 176.600 0.182 0.000 1.050 285 K CA 2.038 58.418 56.287 0.155 0.000 0.929 285 K CB -1.128 31.428 32.500 0.093 0.000 0.714 285 K HN 0.356 nan 8.250 nan 0.000 0.443 286 G N 0.603 109.533 108.800 0.215 0.000 2.503 286 G HA2 -0.299 3.662 3.960 0.001 0.000 0.221 286 G HA3 -0.299 3.662 3.960 0.001 0.000 0.221 286 G C 1.413 176.568 174.900 0.426 0.000 1.131 286 G CA 1.045 46.382 45.100 0.395 0.000 0.756 286 G HN 0.584 nan 8.290 nan 0.000 0.572 287 W N 2.252 123.524 121.300 -0.046 0.000 2.380 287 W HA -0.078 4.582 4.660 0.001 0.000 0.317 287 W C 2.410 178.956 176.519 0.045 0.000 1.196 287 W CA 1.589 58.848 57.345 -0.144 0.000 1.307 287 W CB -0.233 29.023 29.460 -0.340 0.000 1.157 287 W HN 0.534 nan 8.180 nan 0.000 0.483 288 E N 0.010 120.235 120.200 0.042 0.000 2.409 288 E HA -0.046 4.304 4.350 0.001 0.000 0.198 288 E C 2.118 178.754 176.600 0.059 0.000 1.024 288 E CA 1.171 57.557 56.400 -0.025 0.000 0.861 288 E CB -0.916 28.880 29.700 0.159 0.000 0.788 288 E HN 0.259 nan 8.360 nan 0.000 0.521 289 G N 1.739 110.660 108.800 0.201 0.000 2.448 289 G HA2 -0.163 3.798 3.960 0.001 0.000 0.218 289 G HA3 -0.163 3.798 3.960 0.001 0.000 0.218 289 G C 1.552 176.783 174.900 0.553 0.000 1.135 289 G CA 0.409 45.730 45.100 0.369 0.000 0.784 289 G HN 0.160 nan 8.290 nan 0.000 0.543 290 L N 0.362 121.788 121.223 0.338 0.000 1.997 290 L HA -0.175 4.165 4.340 0.001 0.000 0.216 290 L C 2.926 179.994 176.870 0.329 0.000 1.074 290 L CA 1.435 56.355 54.840 0.134 0.000 0.763 290 L CB -0.401 41.467 42.059 -0.319 0.000 0.890 290 L HN 0.141 nan 8.230 nan 0.000 0.434 291 E N -0.074 120.235 120.200 0.181 0.000 2.169 291 E HA -0.297 4.054 4.350 0.001 0.000 0.202 291 E C 2.083 178.851 176.600 0.280 0.000 1.016 291 E CA 1.417 57.951 56.400 0.222 0.000 0.817 291 E CB -0.601 29.172 29.700 0.123 0.000 0.736 291 E HN 0.323 nan 8.360 nan 0.000 0.462 292 L N 0.101 121.529 121.223 0.342 0.000 2.079 292 L HA -0.201 4.140 4.340 0.001 0.000 0.210 292 L C 1.860 178.894 176.870 0.273 0.000 1.081 292 L CA 1.677 56.713 54.840 0.328 0.000 0.752 292 L CB -0.558 41.710 42.059 0.349 0.000 0.896 292 L HN 0.081 nan 8.230 nan 0.000 0.433 293 Y N -0.418 119.931 120.300 0.081 0.000 2.546 293 Y HA 0.329 4.880 4.550 0.001 0.000 0.287 293 Y C 1.713 177.304 175.900 -0.516 0.000 1.158 293 Y CA -0.198 57.759 58.100 -0.238 0.000 1.307 293 Y CB -0.975 37.140 38.460 -0.576 0.000 1.036 293 Y HN 0.162 nan 8.280 nan 0.000 0.532 294 G N 0.124 108.858 108.800 -0.109 0.000 2.539 294 G HA2 0.453 4.414 3.960 0.001 0.000 0.258 294 G HA3 0.453 4.414 3.960 0.001 0.000 0.258 294 G C -1.136 173.560 174.900 -0.340 0.000 1.202 294 G CA -0.172 44.773 45.100 -0.258 0.000 0.851 294 G HN -0.077 nan 8.290 nan 0.000 0.556 295 V N 1.379 120.898 119.914 -0.658 0.000 2.612 295 V HA 0.245 4.366 4.120 0.001 0.000 0.301 295 V C -0.731 175.148 176.094 -0.358 0.000 1.059 295 V CA -1.029 61.011 62.300 -0.433 0.000 0.886 295 V CB 1.856 33.404 31.823 -0.458 0.000 1.007 295 V HN 0.719 nan 8.190 nan 0.000 0.426 296 E N 4.539 124.661 120.200 -0.130 0.000 2.257 296 E HA 0.378 4.728 4.350 0.001 0.000 0.278 296 E C -0.684 175.806 176.600 -0.183 0.000 1.049 296 E CA -0.107 56.261 56.400 -0.053 0.000 0.876 296 E CB 1.585 31.285 29.700 0.001 0.000 1.035 296 E HN 0.499 nan 8.360 nan 0.000 0.419 297 L N 2.878 123.940 121.223 -0.269 0.000 2.312 297 L HA 0.074 4.415 4.340 0.001 0.000 0.281 297 L C 1.489 178.112 176.870 -0.412 0.000 1.070 297 L CA -0.551 54.016 54.840 -0.456 0.000 0.805 297 L CB 0.816 42.370 42.059 -0.841 0.000 1.174 297 L HN 0.472 nan 8.230 nan 0.000 0.434 298 D N 0.882 121.096 120.400 -0.311 0.000 2.190 298 D HA -0.323 4.317 4.640 0.001 0.000 0.200 298 D C 1.342 177.585 176.300 -0.096 0.000 0.992 298 D CA 1.611 55.517 54.000 -0.156 0.000 0.854 298 D CB -0.366 40.388 40.800 -0.076 0.000 0.936 298 D HN 0.631 nan 8.370 nan 0.000 0.462 299 Y N -1.541 118.735 120.300 -0.040 0.000 2.465 299 Y HA 0.478 5.028 4.550 0.001 0.000 0.311 299 Y C 1.685 177.582 175.900 -0.005 0.000 1.204 299 Y CA -0.845 57.234 58.100 -0.035 0.000 1.272 299 Y CB -0.446 37.959 38.460 -0.092 0.000 1.083 299 Y HN 0.119 nan 8.280 nan 0.000 0.508 300 G N -0.949 107.875 108.800 0.040 0.000 2.194 300 G HA2 -0.215 3.745 3.960 0.001 0.000 0.236 300 G HA3 -0.215 3.745 3.960 0.001 0.000 0.236 300 G C 0.696 175.662 174.900 0.110 0.000 0.987 300 G CA -0.201 44.958 45.100 0.098 0.000 0.635 300 G HN 0.979 nan 8.290 nan 0.000 0.520 301 G N -1.123 107.686 108.800 0.014 0.000 2.528 301 G HA2 0.488 4.448 3.960 0.001 0.000 0.289 301 G HA3 0.488 4.448 3.960 0.001 0.000 0.289 301 G C -0.769 174.156 174.900 0.041 0.000 1.192 301 G CA -0.201 44.989 45.100 0.150 0.000 0.921 301 G HN 0.960 nan 8.290 nan 0.000 0.512 302 W N 2.066 123.292 121.300 -0.124 0.000 2.756 302 W HA 0.602 5.263 4.660 0.001 0.000 0.333 302 W C -0.269 176.003 176.519 -0.412 0.000 1.025 302 W CA -1.084 56.120 57.345 -0.235 0.000 1.246 302 W CB 1.412 30.771 29.460 -0.168 0.000 1.358 302 W HN 0.679 nan 8.180 nan 0.000 0.444 303 M N 4.785 123.732 119.600 -1.088 0.000 2.644 303 M HA 0.696 5.176 4.480 0.001 0.000 0.316 303 M C -1.860 173.617 176.300 -1.372 0.000 1.200 303 M CA -0.806 53.754 55.300 -1.234 0.000 0.944 303 M CB 2.419 34.414 32.600 -1.007 0.000 1.691 303 M HN 0.429 nan 8.290 nan 0.000 0.471 304 F N 1.681 121.010 119.950 -1.035 0.000 2.449 304 F HA 0.425 4.952 4.527 0.001 0.000 0.342 304 F C -0.528 175.101 175.800 -0.284 0.000 1.127 304 F CA -0.405 57.161 58.000 -0.725 0.000 0.975 304 F CB 1.671 40.373 39.000 -0.498 0.000 1.146 304 F HN 0.683 nan 8.300 nan 0.000 0.444 305 Q N 4.638 124.092 119.800 -0.577 0.000 2.337 305 Q HA 0.250 4.591 4.340 0.001 0.000 0.270 305 Q C 0.957 176.986 176.000 0.048 0.000 1.002 305 Q CA 0.344 56.015 55.803 -0.220 0.000 0.888 305 Q CB 1.461 30.088 28.738 -0.184 0.000 1.222 305 Q HN 0.925 nan 8.270 nan 0.000 0.400 306 A N 2.469 125.410 122.820 0.200 0.000 1.969 306 A HA -0.051 4.269 4.320 0.001 0.000 0.218 306 A C 0.973 178.782 177.584 0.376 0.000 1.169 306 A CA 1.441 53.674 52.037 0.327 0.000 0.635 306 A CB 0.297 19.518 19.000 0.368 0.000 0.810 306 A HN 0.595 nan 8.150 nan 0.000 0.445 307 S N -2.401 113.510 115.700 0.352 0.000 2.636 307 S HA 0.549 5.019 4.470 0.001 0.000 0.266 307 S C -1.471 173.297 174.600 0.280 0.000 1.147 307 S CA -0.216 58.260 58.200 0.460 0.000 0.815 307 S CB 0.517 63.993 63.200 0.459 0.000 1.119 307 S HN 0.841 nan 8.310 nan 0.000 0.470 308 I N 0.678 121.342 120.570 0.156 0.000 2.569 308 I HA 0.724 4.894 4.170 0.001 0.000 0.296 308 I C -0.007 175.791 176.117 -0.533 0.000 1.028 308 I CA -0.729 60.534 61.300 -0.062 0.000 1.082 308 I CB 2.407 40.291 38.000 -0.194 0.000 1.264 308 I HN 0.576 nan 8.210 nan 0.000 0.429 309 S N 3.087 118.487 115.700 -0.499 0.000 2.484 309 S HA 0.395 4.865 4.470 0.001 0.000 0.242 309 S C -1.577 172.760 174.600 -0.440 0.000 1.158 309 S CA -1.031 56.597 58.200 -0.952 0.000 1.162 309 S CB -0.449 62.566 63.200 -0.308 0.000 0.850 309 S HN 0.672 nan 8.310 nan 0.000 0.477 310 P HA -0.153 nan 4.420 nan 0.000 0.212 310 P C 1.606 178.788 177.300 -0.197 0.000 1.178 310 P CA 1.071 63.759 63.100 -0.687 0.000 0.915 310 P CB -0.128 30.480 31.700 -1.820 0.000 0.788 311 V N 0.073 119.913 119.914 -0.123 0.000 2.220 311 V HA -0.258 3.863 4.120 0.001 0.000 0.250 311 V C 2.581 178.811 176.094 0.226 0.000 1.056 311 V CA 2.387 64.798 62.300 0.184 0.000 1.016 311 V CB -1.734 30.183 31.823 0.157 0.000 0.639 311 V HN 0.229 nan 8.190 nan 0.000 0.446 312 W N 1.021 122.318 121.300 -0.004 0.000 2.290 312 W HA -0.319 4.342 4.660 0.001 0.000 0.328 312 W C 2.454 179.008 176.519 0.058 0.000 1.272 312 W CA 2.188 59.596 57.345 0.105 0.000 1.262 312 W CB -0.316 29.344 29.460 0.333 0.000 1.151 312 W HN 0.376 nan 8.180 nan 0.000 0.473 313 D N -0.432 120.073 120.400 0.175 0.000 2.103 313 D HA -0.203 4.438 4.640 0.001 0.000 0.190 313 D C 1.986 178.259 176.300 -0.045 0.000 0.997 313 D CA 2.664 56.686 54.000 0.036 0.000 0.833 313 D CB -0.984 39.943 40.800 0.212 0.000 0.961 313 D HN 0.150 nan 8.370 nan 0.000 0.447 314 T N 0.513 115.142 114.554 0.125 0.000 2.635 314 T HA -0.166 4.185 4.350 0.001 0.000 0.267 314 T C 1.947 176.637 174.700 -0.017 0.000 1.040 314 T CA 1.819 64.049 62.100 0.218 0.000 1.156 314 T CB -0.869 68.126 68.868 0.211 0.000 0.863 314 T HN 0.308 nan 8.240 nan 0.000 0.430 315 G N 1.429 110.182 108.800 -0.079 0.000 2.545 315 G HA2 -0.203 3.758 3.960 0.001 0.000 0.217 315 G HA3 -0.203 3.758 3.960 0.001 0.000 0.217 315 G C 1.517 176.135 174.900 -0.471 0.000 1.218 315 G CA 0.850 45.806 45.100 -0.240 0.000 0.787 315 G HN 0.460 nan 8.290 nan 0.000 0.571 316 L N 0.772 121.610 121.223 -0.642 0.000 2.042 316 L HA -0.128 4.212 4.340 0.001 0.000 0.210 316 L C 3.491 179.930 176.870 -0.719 0.000 1.076 316 L CA 1.083 55.440 54.840 -0.804 0.000 0.749 316 L CB -0.563 40.885 42.059 -1.018 0.000 0.893 316 L HN 0.342 nan 8.230 nan 0.000 0.432 317 A N -0.087 122.312 122.820 -0.702 0.000 1.892 317 A HA -0.206 4.114 4.320 0.001 0.000 0.218 317 A C 2.324 179.413 177.584 -0.825 0.000 1.188 317 A CA 2.263 53.725 52.037 -0.958 0.000 0.631 317 A CB -0.975 17.095 19.000 -1.550 0.000 0.822 317 A HN 0.206 nan 8.150 nan 0.000 0.447 318 V N 0.127 119.690 119.914 -0.585 0.000 2.214 318 V HA -0.311 3.809 4.120 0.001 0.000 0.245 318 V C 2.558 178.406 176.094 -0.411 0.000 1.047 318 V CA 2.127 64.198 62.300 -0.382 0.000 0.998 318 V CB -1.043 30.646 31.823 -0.224 0.000 0.633 318 V HN 0.606 nan 8.190 nan 0.000 0.446 319 L N 0.009 120.925 121.223 -0.512 0.000 2.010 319 L HA -0.329 4.011 4.340 0.001 0.000 0.219 319 L C 2.729 179.347 176.870 -0.421 0.000 1.077 319 L CA 2.029 56.528 54.840 -0.569 0.000 0.773 319 L CB -1.003 40.537 42.059 -0.865 0.000 0.892 319 L HN 0.441 nan 8.230 nan 0.000 0.436 320 A N 0.176 122.727 122.820 -0.448 0.000 1.842 320 A HA -0.231 4.089 4.320 0.001 0.000 0.217 320 A C 2.223 179.655 177.584 -0.252 0.000 1.206 320 A CA 1.950 53.781 52.037 -0.342 0.000 0.630 320 A CB -1.022 17.736 19.000 -0.404 0.000 0.839 320 A HN 0.368 nan 8.150 nan 0.000 0.447 321 L N -1.075 119.973 121.223 -0.292 0.000 2.089 321 L HA -0.275 4.065 4.340 0.001 0.000 0.213 321 L C 2.964 179.752 176.870 -0.137 0.000 1.079 321 L CA 1.481 56.198 54.840 -0.205 0.000 0.758 321 L CB -0.512 41.400 42.059 -0.244 0.000 0.891 321 L HN 0.347 nan 8.230 nan 0.000 0.433 322 R N -0.142 120.265 120.500 -0.156 0.000 2.062 322 R HA -0.064 4.276 4.340 0.001 0.000 0.231 322 R C 2.310 178.572 176.300 -0.064 0.000 1.136 322 R CA 1.522 57.564 56.100 -0.096 0.000 0.948 322 R CB -0.983 29.247 30.300 -0.117 0.000 0.845 322 R HN 0.355 nan 8.270 nan 0.000 0.430 323 A N 1.121 123.889 122.820 -0.086 0.000 2.076 323 A HA -0.066 4.255 4.320 0.001 0.000 0.220 323 A C 2.299 179.869 177.584 -0.023 0.000 1.160 323 A CA 1.717 53.728 52.037 -0.042 0.000 0.653 323 A CB -0.412 18.558 19.000 -0.049 0.000 0.801 323 A HN 0.373 nan 8.150 nan 0.000 0.455 324 A N -1.985 120.813 122.820 -0.037 0.000 1.897 324 A HA 0.355 4.675 4.320 0.001 0.000 0.215 324 A C 1.980 179.576 177.584 0.020 0.000 1.181 324 A CA 2.120 54.154 52.037 -0.005 0.000 0.620 324 A CB -0.487 18.502 19.000 -0.018 0.000 0.821 324 A HN 1.477 nan 8.150 nan 0.000 0.443 325 G N -2.327 106.481 108.800 0.013 0.000 3.685 325 G HA2 0.047 4.008 3.960 0.001 0.000 0.215 325 G HA3 0.047 4.008 3.960 0.001 0.000 0.215 325 G C 0.176 175.104 174.900 0.048 0.000 0.987 325 G CA -0.165 44.956 45.100 0.036 0.000 0.884 325 G HN 0.264 nan 8.290 nan 0.000 0.406 326 L N 2.571 123.824 121.223 0.050 0.000 2.605 326 L HA 0.137 4.478 4.340 0.001 0.000 0.296 326 L C -1.746 175.188 176.870 0.107 0.000 1.255 326 L CA -0.758 54.148 54.840 0.111 0.000 0.879 326 L CB 0.034 42.123 42.059 0.050 0.000 1.124 326 L HN 0.077 nan 8.230 nan 0.000 0.507 327 P HA -0.045 nan 4.420 nan 0.000 0.266 327 P C 0.105 177.462 177.300 0.095 0.000 1.195 327 P CA 0.074 63.231 63.100 0.094 0.000 0.768 327 P CB 0.732 32.471 31.700 0.066 0.000 0.838 328 A N 2.958 125.815 122.820 0.062 0.000 2.234 328 A HA -0.169 4.152 4.320 0.001 0.000 0.216 328 A C 1.037 178.661 177.584 0.067 0.000 1.167 328 A CA 1.895 53.964 52.037 0.055 0.000 0.698 328 A CB -1.055 17.973 19.000 0.045 0.000 0.779 328 A HN 0.691 nan 8.150 nan 0.000 0.475 329 D N -3.434 117.011 120.400 0.075 0.000 2.513 329 D HA 0.041 4.681 4.640 0.001 0.000 0.222 329 D C 0.441 176.796 176.300 0.093 0.000 1.210 329 D CA -0.556 53.486 54.000 0.071 0.000 0.825 329 D CB -0.639 40.186 40.800 0.042 0.000 1.037 329 D HN 0.320 nan 8.370 nan 0.000 0.506 330 H N 2.525 121.608 119.070 0.023 0.000 3.192 330 H HA -0.084 4.472 4.556 0.001 0.000 0.295 330 H C 1.161 176.503 175.328 0.023 0.000 0.943 330 H CA 1.105 57.167 56.048 0.022 0.000 1.416 330 H CB 0.816 30.593 29.762 0.026 0.000 1.434 330 H HN 0.320 nan 8.280 nan 0.000 0.565 331 D N 4.417 124.884 120.400 0.112 0.000 2.271 331 D HA -0.222 4.418 4.640 0.001 0.000 0.207 331 D C 1.738 178.158 176.300 0.199 0.000 0.983 331 D CA 0.917 54.989 54.000 0.120 0.000 0.878 331 D CB 0.104 40.921 40.800 0.027 0.000 0.920 331 D HN 0.349 nan 8.370 nan 0.000 0.479 332 R N 0.129 120.881 120.500 0.421 0.000 2.100 332 R HA 0.231 4.572 4.340 0.001 0.000 0.220 332 R C 2.445 178.786 176.300 0.068 0.000 1.091 332 R CA 0.463 56.651 56.100 0.146 0.000 0.986 332 R CB -0.521 29.790 30.300 0.018 0.000 0.888 332 R HN 0.234 nan 8.270 nan 0.000 0.444 333 L N -0.176 121.105 121.223 0.096 0.000 2.376 333 L HA -0.038 4.303 4.340 0.001 0.000 0.219 333 L C 1.791 178.724 176.870 0.105 0.000 1.133 333 L CA 0.338 55.236 54.840 0.097 0.000 0.816 333 L CB -0.140 41.959 42.059 0.067 0.000 0.933 333 L HN -0.001 nan 8.230 nan 0.000 0.449 334 V N -0.650 119.328 119.914 0.107 0.000 2.379 334 V HA -0.187 3.934 4.120 0.001 0.000 0.245 334 V C 2.526 178.676 176.094 0.093 0.000 1.044 334 V CA 1.260 63.617 62.300 0.094 0.000 1.036 334 V CB -0.457 31.416 31.823 0.083 0.000 0.664 334 V HN 0.349 nan 8.190 nan 0.000 0.453 335 K N 0.706 121.146 120.400 0.067 0.000 2.074 335 K HA -0.179 4.141 4.320 0.001 0.000 0.209 335 K C 2.283 178.942 176.600 0.098 0.000 1.048 335 K CA 1.779 58.095 56.287 0.049 0.000 0.926 335 K CB -0.746 31.731 32.500 -0.038 0.000 0.713 335 K HN 0.495 nan 8.250 nan 0.000 0.444 336 A N 0.896 123.767 122.820 0.085 0.000 1.855 336 A HA -0.055 4.265 4.320 0.001 0.000 0.215 336 A C 2.522 180.254 177.584 0.247 0.000 1.191 336 A CA 2.061 54.198 52.037 0.166 0.000 0.613 336 A CB -1.217 17.914 19.000 0.217 0.000 0.829 336 A HN 0.375 nan 8.150 nan 0.000 0.442 337 G N -0.207 108.695 108.800 0.170 0.000 2.529 337 G HA2 -0.289 3.671 3.960 0.001 0.000 0.219 337 G HA3 -0.289 3.671 3.960 0.001 0.000 0.219 337 G C 1.411 176.411 174.900 0.167 0.000 1.177 337 G CA 1.212 46.401 45.100 0.148 0.000 0.773 337 G HN 0.499 nan 8.290 nan 0.000 0.573 338 E N -0.260 120.038 120.200 0.164 0.000 2.051 338 E HA -0.155 4.195 4.350 0.001 0.000 0.192 338 E C 2.031 178.743 176.600 0.187 0.000 0.991 338 E CA 1.016 57.505 56.400 0.148 0.000 0.799 338 E CB -0.483 29.294 29.700 0.128 0.000 0.748 338 E HN 0.670 nan 8.360 nan 0.000 0.449 339 W N 1.893 123.228 121.300 0.059 0.000 2.317 339 W HA -0.210 4.450 4.660 0.001 0.000 0.318 339 W C 2.190 178.758 176.519 0.081 0.000 1.227 339 W CA 1.753 59.140 57.345 0.070 0.000 1.269 339 W CB -0.562 28.957 29.460 0.098 0.000 1.155 339 W HN -0.013 nan 8.180 nan 0.000 0.484 340 L N 0.062 121.492 121.223 0.344 0.000 2.043 340 L HA -0.307 4.033 4.340 0.001 0.000 0.212 340 L C 2.562 179.503 176.870 0.118 0.000 1.075 340 L CA 1.571 56.516 54.840 0.175 0.000 0.752 340 L CB -1.160 41.017 42.059 0.197 0.000 0.891 340 L HN 0.104 nan 8.230 nan 0.000 0.432 341 L N -0.495 120.802 121.223 0.122 0.000 2.042 341 L HA -0.260 4.080 4.340 0.001 0.000 0.210 341 L C 2.051 178.927 176.870 0.011 0.000 1.076 341 L CA 1.211 56.122 54.840 0.118 0.000 0.749 341 L CB -0.687 41.426 42.059 0.089 0.000 0.893 341 L HN 0.348 nan 8.230 nan 0.000 0.432 342 D N -0.432 119.915 120.400 -0.088 0.000 2.348 342 D HA -0.093 4.548 4.640 0.001 0.000 0.216 342 D C 2.183 178.333 176.300 -0.249 0.000 0.970 342 D CA 0.559 54.457 54.000 -0.169 0.000 0.889 342 D CB 0.001 40.678 40.800 -0.206 0.000 0.912 342 D HN 0.242 nan 8.370 nan 0.000 0.524 343 R N 0.546 120.890 120.500 -0.260 0.000 2.210 343 R HA 0.044 4.385 4.340 0.001 0.000 0.203 343 R C 1.028 177.187 176.300 -0.235 0.000 1.010 343 R CA -0.053 55.886 56.100 -0.268 0.000 1.008 343 R CB -0.412 29.710 30.300 -0.296 0.000 0.923 343 R HN 0.342 nan 8.270 nan 0.000 0.469 344 Q N 1.453 121.068 119.800 -0.308 0.000 2.304 344 Q HA -0.052 4.289 4.340 0.001 0.000 0.301 344 Q C -0.460 175.196 176.000 -0.572 0.000 1.063 344 Q CA 0.299 55.575 55.803 -0.879 0.000 0.947 344 Q CB 0.499 28.808 28.738 -0.715 0.000 1.201 344 Q HN -0.036 nan 8.270 nan 0.000 0.389 345 I N 4.285 124.472 120.570 -0.638 0.000 2.395 345 I HA 0.042 4.213 4.170 0.001 0.000 0.289 345 I C 1.211 177.133 176.117 -0.325 0.000 1.023 345 I CA 0.232 61.290 61.300 -0.404 0.000 1.350 345 I CB 0.736 38.515 38.000 -0.369 0.000 1.409 345 I HN 0.851 nan 8.210 nan 0.000 0.507 346 T N 2.248 116.679 114.554 -0.205 0.000 3.132 346 T HA 0.333 4.683 4.350 0.001 0.000 0.274 346 T C 0.078 174.750 174.700 -0.046 0.000 1.011 346 T CA -0.271 61.756 62.100 -0.121 0.000 0.899 346 T CB -0.414 68.392 68.868 -0.104 0.000 1.089 346 T HN 0.385 nan 8.240 nan 0.000 0.543 347 V N -1.958 117.935 119.914 -0.036 0.000 2.864 347 V HA 0.794 4.914 4.120 0.001 0.000 0.314 347 V C -3.125 173.008 176.094 0.064 0.000 1.073 347 V CA -3.213 59.091 62.300 0.007 0.000 0.956 347 V CB 1.370 33.181 31.823 -0.020 0.000 1.023 347 V HN -0.113 nan 8.190 nan 0.000 0.435 348 P HA 0.409 nan 4.420 nan 0.000 0.267 348 P C 0.171 177.305 177.300 -0.277 0.000 1.200 348 P CA 0.774 63.703 63.100 -0.286 0.000 0.772 348 P CB 0.574 32.084 31.700 -0.316 0.000 0.855 349 G N 0.767 109.131 108.800 -0.727 0.000 3.042 349 G HA2 0.195 4.155 3.960 0.001 0.000 0.278 349 G HA3 0.195 4.155 3.960 0.001 0.000 0.278 349 G C 0.189 174.745 174.900 -0.573 0.000 1.371 349 G CA -0.435 44.422 45.100 -0.405 0.000 1.009 349 G HN 0.256 nan 8.290 nan 0.000 0.523 350 D N -0.126 120.133 120.400 -0.235 0.000 2.271 350 D HA -0.116 4.525 4.640 0.001 0.000 0.207 350 D C 2.222 178.575 176.300 0.088 0.000 0.983 350 D CA 1.336 55.355 54.000 0.032 0.000 0.878 350 D CB -0.043 40.989 40.800 0.386 0.000 0.920 350 D HN 0.641 nan 8.370 nan 0.000 0.479 351 W N 0.977 122.417 121.300 0.232 0.000 2.374 351 W HA -0.020 4.640 4.660 0.001 0.000 0.288 351 W C 1.900 178.514 176.519 0.159 0.000 1.218 351 W CA 0.744 58.239 57.345 0.249 0.000 1.245 351 W CB -1.172 28.515 29.460 0.379 0.000 1.126 351 W HN -0.069 nan 8.180 nan 0.000 0.545 352 A N 1.881 124.355 122.820 -0.576 0.000 1.997 352 A HA -0.173 4.148 4.320 0.001 0.000 0.221 352 A C 2.228 179.709 177.584 -0.171 0.000 1.172 352 A CA 2.835 54.574 52.037 -0.497 0.000 0.645 352 A CB -1.079 17.475 19.000 -0.742 0.000 0.813 352 A HN 0.157 nan 8.150 nan 0.000 0.454 353 V N -0.124 119.679 119.914 -0.184 0.000 2.439 353 V HA -0.263 3.858 4.120 0.001 0.000 0.253 353 V C 2.267 178.311 176.094 -0.083 0.000 1.074 353 V CA 2.320 64.498 62.300 -0.203 0.000 1.076 353 V CB -0.496 31.078 31.823 -0.415 0.000 0.664 353 V HN 0.480 nan 8.190 nan 0.000 0.461 354 K N -0.726 119.687 120.400 0.021 0.000 2.354 354 K HA 0.216 4.537 4.320 0.001 0.000 0.194 354 K C 0.695 177.350 176.600 0.091 0.000 1.045 354 K CA 0.198 56.520 56.287 0.060 0.000 1.026 354 K CB 0.519 33.078 32.500 0.098 0.000 0.866 354 K HN 0.270 nan 8.250 nan 0.000 0.530 355 R N 0.690 121.281 120.500 0.152 0.000 2.644 355 R HA 0.211 4.551 4.340 0.001 0.000 0.271 355 R C -2.345 174.066 176.300 0.185 0.000 1.687 355 R CA -1.433 54.785 56.100 0.197 0.000 1.655 355 R CB 1.051 31.537 30.300 0.310 0.000 1.285 355 R HN -0.127 nan 8.270 nan 0.000 0.643 356 P HA -0.059 nan 4.420 nan 0.000 0.217 356 P C 0.378 177.722 177.300 0.074 0.000 1.150 356 P CA 1.266 64.384 63.100 0.029 0.000 0.832 356 P CB 0.278 31.979 31.700 0.002 0.000 0.787 357 N N -1.191 117.570 118.700 0.102 0.000 2.322 357 N HA 0.071 4.811 4.740 0.001 0.000 0.194 357 N C -0.063 175.549 175.510 0.169 0.000 1.126 357 N CA -0.441 52.675 53.050 0.110 0.000 0.845 357 N CB 0.014 38.550 38.487 0.080 0.000 0.976 357 N HN 0.065 nan 8.380 nan 0.000 0.475 358 L N 1.800 123.181 121.223 0.263 0.000 2.305 358 L HA 0.222 4.562 4.340 0.001 0.000 0.281 358 L C -0.250 176.897 176.870 0.462 0.000 1.085 358 L CA -0.386 54.664 54.840 0.349 0.000 0.813 358 L CB 0.603 42.907 42.059 0.407 0.000 1.157 358 L HN -0.184 nan 8.230 nan 0.000 0.436 359 K N 5.892 126.511 120.400 0.365 0.000 2.276 359 K HA 0.359 4.679 4.320 0.001 0.000 0.283 359 K C -2.339 174.507 176.600 0.411 0.000 1.044 359 K CA -1.819 54.668 56.287 0.333 0.000 0.944 359 K CB 0.594 33.217 32.500 0.206 0.000 1.012 359 K HN 0.424 nan 8.250 nan 0.000 0.472 360 P HA 0.059 nan 4.420 nan 0.000 0.268 360 P C 0.406 177.628 177.300 -0.130 0.000 1.204 360 P CA 0.253 63.439 63.100 0.145 0.000 0.768 360 P CB 0.609 32.419 31.700 0.183 0.000 0.842 361 G N 1.400 109.893 108.800 -0.512 0.000 4.211 361 G HA2 0.224 4.185 3.960 0.001 0.000 0.192 361 G HA3 0.224 4.185 3.960 0.001 0.000 0.192 361 G C 0.436 175.001 174.900 -0.558 0.000 0.951 361 G CA 0.243 45.126 45.100 -0.362 0.000 0.804 361 G HN 0.733 nan 8.290 nan 0.000 0.489 362 G N -0.162 107.969 108.800 -1.115 0.000 2.535 362 G HA2 0.581 4.542 3.960 0.001 0.000 0.282 362 G HA3 0.581 4.542 3.960 0.001 0.000 0.282 362 G C -0.776 173.697 174.900 -0.712 0.000 1.350 362 G CA -0.497 44.079 45.100 -0.872 0.000 1.039 362 G HN 0.078 nan 8.290 nan 0.000 0.509 363 F N -1.538 118.263 119.950 -0.249 0.000 2.629 363 F HA 0.698 5.225 4.527 0.001 0.000 0.316 363 F C 0.599 176.379 175.800 -0.033 0.000 1.081 363 F CA -0.641 57.289 58.000 -0.115 0.000 0.954 363 F CB 1.903 40.886 39.000 -0.028 0.000 1.337 363 F HN 0.658 nan 8.300 nan 0.000 0.474 364 A N 0.539 123.476 122.820 0.194 0.000 2.261 364 A HA 0.577 4.898 4.320 0.001 0.000 0.323 364 A C -0.036 177.706 177.584 0.263 0.000 1.107 364 A CA -0.277 51.888 52.037 0.213 0.000 0.883 364 A CB 0.303 19.391 19.000 0.146 0.000 1.251 364 A HN 0.778 nan 8.150 nan 0.000 0.502 365 F N -0.041 119.964 119.950 0.092 0.000 2.219 365 F HA 0.025 4.552 4.527 0.001 0.000 0.294 365 F C 1.615 177.401 175.800 -0.023 0.000 1.086 365 F CA 1.469 59.495 58.000 0.043 0.000 1.330 365 F CB -0.006 39.013 39.000 0.030 0.000 1.047 365 F HN 0.620 nan 8.300 nan 0.000 0.495 366 Q N -0.701 119.077 119.800 -0.037 0.000 2.298 366 Q HA 0.130 4.470 4.340 0.001 0.000 0.181 366 Q C 1.068 176.878 176.000 -0.317 0.000 1.004 366 Q CA -0.402 55.209 55.803 -0.321 0.000 1.050 366 Q CB -0.710 27.963 28.738 -0.109 0.000 1.254 366 Q HN 0.184 nan 8.270 nan 0.000 0.531 367 F N 0.598 120.400 119.950 -0.247 0.000 2.060 367 F HA -0.068 4.460 4.527 0.001 0.000 0.295 367 F C 0.849 176.525 175.800 -0.207 0.000 1.120 367 F CA 1.570 59.416 58.000 -0.257 0.000 1.205 367 F CB -0.010 38.797 39.000 -0.322 0.000 0.986 367 F HN 0.514 nan 8.300 nan 0.000 0.470 368 D N -0.783 119.643 120.400 0.043 0.000 2.375 368 D HA 0.197 4.838 4.640 0.001 0.000 0.259 368 D C -1.245 175.012 176.300 -0.071 0.000 1.235 368 D CA -0.141 53.825 54.000 -0.056 0.000 0.924 368 D CB -0.001 40.749 40.800 -0.085 0.000 1.143 368 D HN -0.034 nan 8.370 nan 0.000 0.529 369 N N 3.143 121.803 118.700 -0.066 0.000 2.716 369 N HA 0.042 4.783 4.740 0.001 0.000 0.245 369 N C 0.757 176.219 175.510 -0.079 0.000 1.495 369 N CA -0.369 52.665 53.050 -0.027 0.000 0.759 369 N CB 0.832 39.393 38.487 0.123 0.000 1.261 369 N HN 0.127 nan 8.380 nan 0.000 0.515 370 V N -0.221 119.520 119.914 -0.290 0.000 2.759 370 V HA -0.045 4.076 4.120 0.001 0.000 0.256 370 V C 0.922 176.823 176.094 -0.322 0.000 1.080 370 V CA 1.256 63.336 62.300 -0.366 0.000 1.101 370 V CB -1.062 30.444 31.823 -0.529 0.000 0.698 370 V HN 0.340 nan 8.190 nan 0.000 0.477 371 Y N -0.858 119.347 120.300 -0.158 0.000 2.466 371 Y HA 0.383 4.933 4.550 0.001 0.000 0.272 371 Y C 0.577 176.124 175.900 -0.588 0.000 1.169 371 Y CA -0.771 57.085 58.100 -0.407 0.000 1.285 371 Y CB -0.275 37.806 38.460 -0.632 0.000 1.078 371 Y HN 0.387 nan 8.280 nan 0.000 0.523 372 Y N 0.650 121.130 120.300 0.301 0.000 2.501 372 Y HA 0.342 4.893 4.550 0.001 0.000 0.331 372 Y C -2.563 173.593 175.900 0.427 0.000 0.950 372 Y CA -3.489 54.833 58.100 0.369 0.000 1.120 372 Y CB 0.199 38.786 38.460 0.211 0.000 1.154 372 Y HN -0.095 nan 8.280 nan 0.000 0.630 373 P HA 0.095 nan 4.420 nan 0.000 0.275 373 P C -0.546 176.983 177.300 0.381 0.000 1.228 373 P CA 0.120 63.350 63.100 0.217 0.000 0.786 373 P CB 1.725 33.282 31.700 -0.238 0.000 0.927 374 D N 1.276 121.811 120.400 0.225 0.000 2.252 374 D HA 0.100 4.740 4.640 0.001 0.000 0.245 374 D C 1.081 177.451 176.300 0.116 0.000 1.009 374 D CA -0.854 53.138 54.000 -0.013 0.000 0.870 374 D CB 1.771 42.248 40.800 -0.538 0.000 1.251 374 D HN -0.000 nan 8.370 nan 0.000 0.460 375 V N 1.192 121.148 119.914 0.069 0.000 2.392 375 V HA -0.256 3.865 4.120 0.001 0.000 0.249 375 V C 2.002 178.079 176.094 -0.028 0.000 1.059 375 V CA 1.900 64.232 62.300 0.053 0.000 1.051 375 V CB -0.630 31.160 31.823 -0.054 0.000 0.658 375 V HN 0.674 nan 8.190 nan 0.000 0.455 376 D N 0.191 120.522 120.400 -0.116 0.000 2.088 376 D HA -0.185 4.456 4.640 0.001 0.000 0.191 376 D C 2.027 178.392 176.300 0.109 0.000 0.992 376 D CA 1.593 55.560 54.000 -0.055 0.000 0.831 376 D CB -0.304 40.316 40.800 -0.300 0.000 0.973 376 D HN 0.395 nan 8.370 nan 0.000 0.447 377 D N -0.364 120.074 120.400 0.063 0.000 2.116 377 D HA -0.136 4.505 4.640 0.001 0.000 0.193 377 D C 1.957 178.365 176.300 0.181 0.000 0.998 377 D CA 1.490 55.648 54.000 0.262 0.000 0.836 377 D CB -0.294 40.656 40.800 0.249 0.000 0.951 377 D HN 0.262 nan 8.370 nan 0.000 0.449 378 T N 1.333 116.011 114.554 0.206 0.000 2.635 378 T HA -0.197 4.153 4.350 0.001 0.000 0.267 378 T C 2.091 176.858 174.700 0.112 0.000 1.040 378 T CA 1.910 64.170 62.100 0.266 0.000 1.156 378 T CB -0.448 68.667 68.868 0.413 0.000 0.863 378 T HN 0.229 nan 8.240 nan 0.000 0.430 379 A N 1.014 123.869 122.820 0.057 0.000 1.873 379 A HA -0.112 4.208 4.320 0.001 0.000 0.218 379 A C 2.645 180.282 177.584 0.087 0.000 1.193 379 A CA 1.924 53.949 52.037 -0.020 0.000 0.629 379 A CB -1.193 17.720 19.000 -0.145 0.000 0.826 379 A HN 0.365 nan 8.150 nan 0.000 0.447 380 V N -0.424 119.552 119.914 0.104 0.000 2.343 380 V HA -0.225 3.896 4.120 0.001 0.000 0.247 380 V C 2.559 178.579 176.094 -0.123 0.000 1.051 380 V CA 1.951 64.255 62.300 0.008 0.000 1.036 380 V CB -0.829 30.951 31.823 -0.071 0.000 0.654 380 V HN 0.377 nan 8.190 nan 0.000 0.451 381 V N -0.318 119.494 119.914 -0.170 0.000 2.358 381 V HA -0.199 3.921 4.120 0.001 0.000 0.246 381 V C 2.391 178.329 176.094 -0.261 0.000 1.047 381 V CA 1.794 63.873 62.300 -0.367 0.000 1.035 381 V CB -0.394 30.878 31.823 -0.919 0.000 0.658 381 V HN 0.400 nan 8.190 nan 0.000 0.452 382 V N -0.807 119.047 119.914 -0.100 0.000 2.244 382 V HA -0.255 3.866 4.120 0.001 0.000 0.244 382 V C 2.108 178.329 176.094 0.212 0.000 1.042 382 V CA 2.255 64.644 62.300 0.148 0.000 1.006 382 V CB -0.871 31.148 31.823 0.326 0.000 0.641 382 V HN 0.798 nan 8.190 nan 0.000 0.446 383 W N 1.641 122.905 121.300 -0.061 0.000 2.304 383 W HA -0.297 4.364 4.660 0.001 0.000 0.315 383 W C 2.481 178.903 176.519 -0.162 0.000 1.233 383 W CA 2.310 59.544 57.345 -0.185 0.000 1.261 383 W CB -1.031 28.298 29.460 -0.218 0.000 1.150 383 W HN 0.234 nan 8.180 nan 0.000 0.494 384 A N 0.583 123.267 122.820 -0.227 0.000 1.883 384 A HA -0.208 4.113 4.320 0.001 0.000 0.217 384 A C 2.371 179.880 177.584 -0.125 0.000 1.186 384 A CA 2.196 54.023 52.037 -0.350 0.000 0.624 384 A CB -1.181 17.608 19.000 -0.352 0.000 0.822 384 A HN 0.411 nan 8.150 nan 0.000 0.444 385 L N -0.521 120.685 121.223 -0.030 0.000 2.046 385 L HA -0.204 4.137 4.340 0.001 0.000 0.208 385 L C 2.376 179.301 176.870 0.093 0.000 1.077 385 L CA 1.586 56.454 54.840 0.048 0.000 0.747 385 L CB -0.623 41.492 42.059 0.093 0.000 0.896 385 L HN 0.524 nan 8.230 nan 0.000 0.432 386 N N -0.190 118.589 118.700 0.132 0.000 2.588 386 N HA -0.174 4.566 4.740 0.001 0.000 0.190 386 N C 1.387 176.946 175.510 0.082 0.000 1.094 386 N CA 1.505 54.639 53.050 0.141 0.000 0.921 386 N CB 0.009 38.471 38.487 -0.043 0.000 0.959 386 N HN 0.412 nan 8.380 nan 0.000 0.448 387 T N -3.344 111.240 114.554 0.051 0.000 3.044 387 T HA 0.297 4.648 4.350 0.001 0.000 0.260 387 T C 0.386 175.102 174.700 0.027 0.000 1.019 387 T CA -0.411 61.708 62.100 0.032 0.000 0.921 387 T CB -0.101 68.759 68.868 -0.013 0.000 1.053 387 T HN -0.032 nan 8.240 nan 0.000 0.533 388 L N 0.724 121.972 121.223 0.041 0.000 2.313 388 L HA 0.656 4.996 4.340 0.001 0.000 0.268 388 L C 0.217 177.125 176.870 0.063 0.000 1.010 388 L CA -1.456 53.413 54.840 0.048 0.000 0.814 388 L CB 1.796 43.884 42.059 0.047 0.000 1.304 388 L HN -0.115 nan 8.230 nan 0.000 0.441 389 R N 2.409 122.945 120.500 0.061 0.000 2.335 389 R HA 0.487 4.828 4.340 0.001 0.000 0.302 389 R C -1.098 175.237 176.300 0.059 0.000 1.147 389 R CA -0.459 55.677 56.100 0.059 0.000 1.111 389 R CB 0.767 31.098 30.300 0.051 0.000 1.122 389 R HN 0.484 nan 8.270 nan 0.000 0.557 390 L N 2.888 124.149 121.223 0.063 0.000 2.399 390 L HA 0.300 4.640 4.340 0.001 0.000 0.266 390 L C -1.205 175.696 176.870 0.051 0.000 1.114 390 L CA -1.967 52.910 54.840 0.062 0.000 0.804 390 L CB 0.648 42.749 42.059 0.070 0.000 1.146 390 L HN 0.100 nan 8.230 nan 0.000 0.451 391 P HA -0.159 nan 4.420 nan 0.000 0.215 391 P C 0.014 177.335 177.300 0.036 0.000 1.153 391 P CA 1.170 64.292 63.100 0.037 0.000 0.853 391 P CB 0.122 31.843 31.700 0.034 0.000 0.788 392 D N -0.287 120.136 120.400 0.040 0.000 2.564 392 D HA 0.000 4.641 4.640 0.001 0.000 0.226 392 D C 1.000 177.325 176.300 0.043 0.000 1.149 392 D CA -0.063 53.959 54.000 0.037 0.000 0.994 392 D CB -0.352 40.468 40.800 0.035 0.000 1.029 392 D HN -0.118 nan 8.370 nan 0.000 0.517 393 E N 1.511 121.736 120.200 0.041 0.000 2.396 393 E HA -0.201 4.150 4.350 0.001 0.000 0.200 393 E C 1.604 178.230 176.600 0.044 0.000 1.023 393 E CA 0.379 56.807 56.400 0.046 0.000 0.857 393 E CB 0.233 29.957 29.700 0.041 0.000 0.775 393 E HN 0.379 nan 8.360 nan 0.000 0.525 394 R N 1.207 121.729 120.500 0.036 0.000 2.055 394 R HA -0.011 4.330 4.340 0.001 0.000 0.228 394 R C 2.192 178.515 176.300 0.038 0.000 1.143 394 R CA 1.694 57.812 56.100 0.031 0.000 0.945 394 R CB -0.566 29.748 30.300 0.023 0.000 0.841 394 R HN -0.023 nan 8.270 nan 0.000 0.429 395 R N -0.035 120.489 120.500 0.040 0.000 2.081 395 R HA -0.051 4.289 4.340 0.001 0.000 0.235 395 R C 2.521 178.862 176.300 0.068 0.000 1.131 395 R CA 1.817 57.945 56.100 0.046 0.000 0.960 395 R CB -0.272 30.053 30.300 0.042 0.000 0.856 395 R HN 0.220 nan 8.270 nan 0.000 0.436 396 R N 0.017 120.562 120.500 0.076 0.000 2.083 396 R HA -0.205 4.135 4.340 0.001 0.000 0.237 396 R C 2.272 178.638 176.300 0.109 0.000 1.137 396 R CA 1.957 58.117 56.100 0.100 0.000 0.951 396 R CB -0.150 30.206 30.300 0.095 0.000 0.851 396 R HN 0.009 nan 8.270 nan 0.000 0.434 397 R N 0.737 121.288 120.500 0.084 0.000 2.073 397 R HA -0.138 4.202 4.340 0.001 0.000 0.234 397 R C 1.758 178.094 176.300 0.060 0.000 1.134 397 R CA 2.273 58.416 56.100 0.072 0.000 0.952 397 R CB -0.753 29.574 30.300 0.046 0.000 0.850 397 R HN 0.281 nan 8.270 nan 0.000 0.433 398 D N -0.664 119.767 120.400 0.053 0.000 2.087 398 D HA -0.128 4.513 4.640 0.001 0.000 0.192 398 D C 1.720 178.062 176.300 0.070 0.000 0.993 398 D CA 2.047 56.074 54.000 0.045 0.000 0.828 398 D CB -0.286 40.535 40.800 0.035 0.000 0.968 398 D HN 0.326 nan 8.370 nan 0.000 0.448 399 A N 0.225 123.101 122.820 0.094 0.000 1.903 399 A HA -0.269 4.052 4.320 0.001 0.000 0.219 399 A C 2.349 180.052 177.584 0.199 0.000 1.191 399 A CA 2.140 54.259 52.037 0.137 0.000 0.638 399 A CB -0.797 18.308 19.000 0.176 0.000 0.823 399 A HN 0.338 nan 8.150 nan 0.000 0.451 400 M N -0.848 118.876 119.600 0.206 0.000 2.106 400 M HA -0.164 4.316 4.480 0.001 0.000 0.259 400 M C 2.242 178.660 176.300 0.198 0.000 1.068 400 M CA 2.112 57.566 55.300 0.257 0.000 1.100 400 M CB -0.831 31.928 32.600 0.265 0.000 1.351 400 M HN 0.536 nan 8.290 nan 0.000 0.404 401 T N 0.403 115.007 114.554 0.084 0.000 2.737 401 T HA -0.119 4.231 4.350 0.001 0.000 0.265 401 T C 1.755 176.538 174.700 0.138 0.000 1.038 401 T CA 1.182 63.294 62.100 0.021 0.000 1.144 401 T CB -0.184 68.664 68.868 -0.033 0.000 0.866 401 T HN 0.385 nan 8.240 nan 0.000 0.434 402 K N 0.765 121.245 120.400 0.134 0.000 2.009 402 K HA -0.069 4.252 4.320 0.001 0.000 0.210 402 K C 2.668 179.405 176.600 0.228 0.000 1.049 402 K CA 1.406 57.780 56.287 0.145 0.000 0.929 402 K CB -0.686 31.856 32.500 0.071 0.000 0.714 402 K HN 0.387 nan 8.250 nan 0.000 0.440 403 G N 1.349 110.309 108.800 0.267 0.000 2.480 403 G HA2 -0.290 3.670 3.960 0.001 0.000 0.216 403 G HA3 -0.290 3.670 3.960 0.001 0.000 0.216 403 G C 1.348 176.506 174.900 0.430 0.000 1.200 403 G CA 0.715 46.039 45.100 0.373 0.000 0.782 403 G HN 0.202 nan 8.290 nan 0.000 0.554 404 F N 1.866 121.958 119.950 0.237 0.000 2.027 404 F HA -0.171 4.357 4.527 0.001 0.000 0.297 404 F C 2.984 178.920 175.800 0.227 0.000 1.129 404 F CA 2.239 60.372 58.000 0.222 0.000 1.195 404 F CB -0.420 38.581 39.000 0.001 0.000 0.960 404 F HN 0.010 nan 8.300 nan 0.000 0.485 405 R N -1.245 119.598 120.500 0.572 0.000 2.117 405 R HA -0.275 4.066 4.340 0.001 0.000 0.243 405 R C 2.103 178.591 176.300 0.313 0.000 1.143 405 R CA 1.921 58.267 56.100 0.409 0.000 0.968 405 R CB -1.204 29.255 30.300 0.264 0.000 0.863 405 R HN 0.557 nan 8.270 nan 0.000 0.444 406 W N 1.614 122.987 121.300 0.121 0.000 2.335 406 W HA -0.141 4.519 4.660 0.001 0.000 0.311 406 W C 1.774 178.311 176.519 0.030 0.000 1.213 406 W CA 1.335 58.681 57.345 0.003 0.000 1.274 406 W CB -0.373 29.027 29.460 -0.100 0.000 1.148 406 W HN -0.060 nan 8.180 nan 0.000 0.498 407 I N -0.085 120.555 120.570 0.117 0.000 2.163 407 I HA -0.375 3.795 4.170 0.001 0.000 0.243 407 I C 2.158 178.367 176.117 0.152 0.000 1.085 407 I CA 1.720 63.001 61.300 -0.031 0.000 1.347 407 I CB -1.214 36.752 38.000 -0.057 0.000 1.044 407 I HN -0.179 nan 8.210 nan 0.000 0.408 408 V N 1.091 121.141 119.914 0.225 0.000 2.332 408 V HA -0.240 3.881 4.120 0.001 0.000 0.248 408 V C 2.421 178.601 176.094 0.143 0.000 1.055 408 V CA 2.176 64.646 62.300 0.283 0.000 1.038 408 V CB -1.454 30.548 31.823 0.299 0.000 0.651 408 V HN 0.613 nan 8.190 nan 0.000 0.450 409 G N -1.424 107.394 108.800 0.030 0.000 2.848 409 G HA2 -0.076 3.884 3.960 0.001 0.000 0.208 409 G HA3 -0.076 3.884 3.960 0.001 0.000 0.208 409 G C 1.286 176.082 174.900 -0.174 0.000 1.152 409 G CA 0.157 45.225 45.100 -0.054 0.000 0.789 409 G HN 0.327 nan 8.290 nan 0.000 0.531 410 M N -0.220 119.246 119.600 -0.224 0.000 2.492 410 M HA 0.185 4.666 4.480 0.001 0.000 0.255 410 M C 1.158 177.342 176.300 -0.193 0.000 1.139 410 M CA -0.112 55.019 55.300 -0.283 0.000 1.096 410 M CB -0.480 31.797 32.600 -0.538 0.000 1.360 410 M HN 0.298 nan 8.290 nan 0.000 0.480 411 Q N 1.575 121.216 119.800 -0.264 0.000 2.304 411 Q HA -0.001 4.339 4.340 0.001 0.000 0.315 411 Q C -0.359 175.276 176.000 -0.608 0.000 1.075 411 Q CA 0.340 55.550 55.803 -0.989 0.000 0.988 411 Q CB 0.773 28.913 28.738 -0.996 0.000 1.146 411 Q HN 0.179 nan 8.270 nan 0.000 0.383 412 S N 1.794 117.117 115.700 -0.628 0.000 2.661 412 S HA 0.092 4.562 4.470 0.001 0.000 0.265 412 S C 1.124 175.516 174.600 -0.346 0.000 1.225 412 S CA -0.472 57.504 58.200 -0.374 0.000 0.986 412 S CB 1.251 64.269 63.200 -0.303 0.000 1.008 412 S HN 0.778 nan 8.310 nan 0.000 0.565 413 S N 2.001 117.563 115.700 -0.231 0.000 2.370 413 S HA -0.169 4.302 4.470 0.001 0.000 0.226 413 S C 1.527 176.010 174.600 -0.195 0.000 1.033 413 S CA 1.816 59.907 58.200 -0.181 0.000 1.011 413 S CB -0.643 62.488 63.200 -0.115 0.000 0.852 413 S HN 0.820 nan 8.310 nan 0.000 0.457 414 N N 0.633 119.196 118.700 -0.228 0.000 2.521 414 N HA 0.222 4.963 4.740 0.001 0.000 0.188 414 N C 1.053 176.396 175.510 -0.279 0.000 1.146 414 N CA 0.857 53.788 53.050 -0.198 0.000 0.893 414 N CB -0.298 38.091 38.487 -0.163 0.000 0.975 414 N HN 0.383 nan 8.380 nan 0.000 0.451 415 G N -1.957 106.594 108.800 -0.416 0.000 2.195 415 G HA2 -0.189 3.772 3.960 0.001 0.000 0.246 415 G HA3 -0.189 3.772 3.960 0.001 0.000 0.246 415 G C 0.345 174.826 174.900 -0.698 0.000 0.984 415 G CA -0.076 44.728 45.100 -0.494 0.000 0.633 415 G HN 0.787 nan 8.290 nan 0.000 0.525 416 G N -1.335 106.947 108.800 -0.863 0.000 2.504 416 G HA2 0.490 4.450 3.960 0.001 0.000 0.288 416 G HA3 0.490 4.450 3.960 0.001 0.000 0.288 416 G C -0.232 174.316 174.900 -0.586 0.000 1.182 416 G CA -0.595 43.973 45.100 -0.887 0.000 0.894 416 G HN 0.230 nan 8.290 nan 0.000 0.521 417 W N 0.053 121.209 121.300 -0.242 0.000 2.573 417 W HA 0.536 5.196 4.660 0.001 0.000 0.326 417 W C 0.482 176.956 176.519 -0.076 0.000 1.049 417 W CA -0.691 56.561 57.345 -0.156 0.000 1.220 417 W CB 2.088 31.460 29.460 -0.145 0.000 1.373 417 W HN 0.771 nan 8.180 nan 0.000 0.507 418 G N 0.531 109.434 108.800 0.171 0.000 2.537 418 G HA2 0.464 4.424 3.960 0.001 0.000 0.297 418 G HA3 0.464 4.424 3.960 0.001 0.000 0.297 418 G C 0.446 175.436 174.900 0.150 0.000 1.310 418 G CA 0.149 45.358 45.100 0.181 0.000 1.027 418 G HN 0.513 nan 8.290 nan 0.000 0.505 419 A N -1.343 121.574 122.820 0.160 0.000 1.850 419 A HA 0.237 4.558 4.320 0.001 0.000 0.212 419 A C 1.804 179.222 177.584 -0.277 0.000 1.208 419 A CA 1.221 53.159 52.037 -0.166 0.000 0.609 419 A CB -0.338 18.548 19.000 -0.191 0.000 0.860 419 A HN 0.614 nan 8.150 nan 0.000 0.448 420 Y N -0.843 119.638 120.300 0.302 0.000 2.589 420 Y HA 0.273 4.823 4.550 0.001 0.000 0.271 420 Y C 0.302 176.413 175.900 0.353 0.000 1.107 420 Y CA -0.482 57.835 58.100 0.362 0.000 1.273 420 Y CB 0.633 39.355 38.460 0.437 0.000 1.266 420 Y HN 0.154 nan 8.280 nan 0.000 0.504 421 D N -0.715 119.933 120.400 0.414 0.000 2.533 421 D HA 0.471 5.112 4.640 0.001 0.000 0.247 421 D C -1.033 175.372 176.300 0.175 0.000 1.056 421 D CA -0.455 53.735 54.000 0.317 0.000 1.054 421 D CB 3.163 44.151 40.800 0.314 0.000 1.400 421 D HN -0.341 nan 8.370 nan 0.000 0.533 422 V N 1.222 121.214 119.914 0.131 0.000 2.472 422 V HA 0.117 4.238 4.120 0.001 0.000 0.290 422 V C 0.150 176.261 176.094 0.029 0.000 1.037 422 V CA -0.435 61.886 62.300 0.034 0.000 0.908 422 V CB 1.234 33.061 31.823 0.007 0.000 0.985 422 V HN 0.595 nan 8.190 nan 0.000 0.454 423 D N 2.608 122.996 120.400 -0.020 0.000 2.792 423 D HA -0.200 4.441 4.640 0.001 0.000 0.231 423 D C 0.704 177.013 176.300 0.015 0.000 1.160 423 D CA 0.732 54.720 54.000 -0.020 0.000 0.697 423 D CB -0.545 40.237 40.800 -0.029 0.000 1.070 423 D HN 0.752 nan 8.370 nan 0.000 0.426 424 N N 0.884 119.611 118.700 0.046 0.000 3.193 424 N HA -0.017 4.724 4.740 0.001 0.000 0.312 424 N C 0.699 176.224 175.510 0.025 0.000 1.261 424 N CA 0.633 53.714 53.050 0.052 0.000 1.208 424 N CB 0.045 38.587 38.487 0.092 0.000 1.471 424 N HN 0.229 nan 8.380 nan 0.000 0.548 425 T N -2.850 111.706 114.554 0.004 0.000 3.085 425 T HA 0.082 4.432 4.350 0.001 0.000 0.264 425 T C 0.774 175.457 174.700 -0.029 0.000 1.019 425 T CA -0.489 61.608 62.100 -0.006 0.000 0.910 425 T CB 0.083 68.949 68.868 -0.003 0.000 1.059 425 T HN 0.141 nan 8.240 nan 0.000 0.542 426 S N 1.384 117.054 115.700 -0.049 0.000 2.561 426 S HA -0.018 4.453 4.470 0.001 0.000 0.294 426 S C 0.663 175.204 174.600 -0.097 0.000 1.294 426 S CA 0.075 58.232 58.200 -0.071 0.000 1.055 426 S CB 0.323 63.459 63.200 -0.107 0.000 0.819 426 S HN 0.498 nan 8.310 nan 0.000 0.503 427 D N 2.867 123.228 120.400 -0.065 0.000 2.398 427 D HA 0.186 4.826 4.640 0.001 0.000 0.210 427 D C 1.459 177.702 176.300 -0.096 0.000 1.094 427 D CA -0.161 53.794 54.000 -0.075 0.000 0.839 427 D CB 0.018 40.832 40.800 0.023 0.000 0.963 427 D HN 0.383 nan 8.370 nan 0.000 0.506 428 L N 1.581 122.754 121.223 -0.084 0.000 1.973 428 L HA 0.031 4.372 4.340 0.001 0.000 0.208 428 L C -0.626 176.081 176.870 -0.271 0.000 1.073 428 L CA 1.722 56.536 54.840 -0.043 0.000 0.746 428 L CB -1.933 40.108 42.059 -0.030 0.000 0.891 428 L HN 0.138 nan 8.230 nan 0.000 0.433 429 P HA -0.178 nan 4.420 nan 0.000 0.222 429 P C 0.850 177.898 177.300 -0.419 0.000 1.142 429 P CA 1.162 63.943 63.100 -0.531 0.000 0.788 429 P CB -0.254 30.808 31.700 -1.062 0.000 0.767 430 N N -0.728 117.676 118.700 -0.493 0.000 2.571 430 N HA -0.098 4.642 4.740 0.001 0.000 0.189 430 N C 1.161 176.292 175.510 -0.632 0.000 1.154 430 N CA 0.782 53.516 53.050 -0.526 0.000 0.907 430 N CB -0.318 37.832 38.487 -0.561 0.000 0.977 430 N HN 0.454 nan 8.380 nan 0.000 0.449 431 H N -0.464 118.391 119.070 -0.359 0.000 2.874 431 H HA 0.200 4.756 4.556 0.001 0.000 0.264 431 H C 0.608 175.553 175.328 -0.638 0.000 1.007 431 H CA -0.405 55.370 56.048 -0.453 0.000 1.207 431 H CB 1.070 30.553 29.762 -0.466 0.000 1.487 431 H HN 0.014 nan 8.280 nan 0.000 0.505 432 I N 3.084 123.334 120.570 -0.534 0.000 2.775 432 I HA -0.024 4.146 4.170 0.001 0.000 0.290 432 I C -1.162 174.915 176.117 -0.066 0.000 1.203 432 I CA -1.672 59.444 61.300 -0.306 0.000 1.433 432 I CB 0.243 38.190 38.000 -0.089 0.000 1.354 432 I HN -0.089 nan 8.210 nan 0.000 0.579 433 P HA -0.191 nan 4.420 nan 0.000 0.219 433 P C 1.684 179.037 177.300 0.088 0.000 1.146 433 P CA 1.232 64.386 63.100 0.090 0.000 0.808 433 P CB 0.072 31.860 31.700 0.148 0.000 0.779 434 F N 0.347 120.264 119.950 -0.056 0.000 2.060 434 F HA -0.087 4.440 4.527 0.001 0.000 0.295 434 F C 0.805 176.509 175.800 -0.160 0.000 1.120 434 F CA 0.868 58.800 58.000 -0.112 0.000 1.205 434 F CB -0.820 38.114 39.000 -0.111 0.000 0.986 434 F HN -0.251 nan 8.300 nan 0.000 0.470 435 C N 3.605 122.817 119.300 -0.147 0.000 2.734 435 C HA 0.082 4.543 4.460 0.001 0.000 0.398 435 C C 0.747 175.603 174.990 -0.223 0.000 1.090 435 C CA 0.237 59.106 59.018 -0.249 0.000 1.251 435 C CB -2.455 25.254 27.740 -0.051 0.000 1.789 435 C HN 0.530 nan 8.230 nan 0.000 0.556 436 D N 0.163 120.393 120.400 -0.283 0.000 2.571 436 D HA 0.118 4.759 4.640 0.001 0.000 0.239 436 D C -0.342 175.938 176.300 -0.033 0.000 1.267 436 D CA -0.179 53.737 54.000 -0.139 0.000 0.823 436 D CB 0.080 40.811 40.800 -0.114 0.000 1.056 436 D HN 0.393 nan 8.370 nan 0.000 0.494 437 F N 0.994 120.784 119.950 -0.267 0.000 2.653 437 F HA 0.479 5.007 4.527 0.001 0.000 0.327 437 F C 0.564 176.195 175.800 -0.281 0.000 1.195 437 F CA 0.548 58.436 58.000 -0.187 0.000 0.993 437 F CB 1.401 40.337 39.000 -0.106 0.000 1.259 437 F HN 0.210 nan 8.300 nan 0.000 0.478 438 G N 4.629 112.895 108.800 -0.890 0.000 2.641 438 G HA2 -0.182 3.778 3.960 0.001 0.000 0.254 438 G HA3 -0.182 3.778 3.960 0.001 0.000 0.254 438 G C -0.586 173.876 174.900 -0.731 0.000 1.315 438 G CA -0.313 44.145 45.100 -1.069 0.000 0.907 438 G HN 0.733 nan 8.290 nan 0.000 0.572 439 E N -0.816 118.861 120.200 -0.871 0.000 2.349 439 E HA 0.465 4.815 4.350 0.001 0.000 0.262 439 E C 0.943 177.609 176.600 0.110 0.000 1.088 439 E CA -0.009 56.298 56.400 -0.155 0.000 0.899 439 E CB 1.681 31.537 29.700 0.260 0.000 1.044 439 E HN 0.499 nan 8.360 nan 0.000 0.420 440 V N 0.096 120.095 119.914 0.142 0.000 3.497 440 V HA 0.007 4.128 4.120 0.001 0.000 0.272 440 V C 0.488 176.563 176.094 -0.032 0.000 1.474 440 V CA 0.579 62.945 62.300 0.109 0.000 1.025 440 V CB 0.960 32.807 31.823 0.040 0.000 0.820 440 V HN 0.748 nan 8.190 nan 0.000 0.437 441 T N -2.424 112.134 114.554 0.007 0.000 2.940 441 T HA 0.628 4.978 4.350 0.001 0.000 0.288 441 T C -0.962 173.803 174.700 0.110 0.000 1.045 441 T CA -0.423 61.648 62.100 -0.047 0.000 1.018 441 T CB 2.618 71.448 68.868 -0.063 0.000 1.151 441 T HN 0.031 nan 8.240 nan 0.000 0.529 442 D N 2.038 122.501 120.400 0.105 0.000 2.502 442 D HA 0.369 5.010 4.640 0.001 0.000 0.301 442 D C -2.468 173.980 176.300 0.248 0.000 1.202 442 D CA -1.939 52.247 54.000 0.311 0.000 0.878 442 D CB 0.713 41.708 40.800 0.325 0.000 1.062 442 D HN 0.308 nan 8.370 nan 0.000 0.499 443 P HA 0.364 nan 4.420 nan 0.000 0.279 443 P C -2.622 174.777 177.300 0.166 0.000 1.252 443 P CA -1.605 61.576 63.100 0.136 0.000 0.811 443 P CB 0.496 32.257 31.700 0.102 0.000 1.035 444 P HA 0.035 nan 4.420 nan 0.000 0.265 444 P C -0.033 177.394 177.300 0.211 0.000 1.187 444 P CA 0.633 63.766 63.100 0.056 0.000 0.766 444 P CB 0.186 31.743 31.700 -0.239 0.000 0.820 445 S N 0.571 116.441 115.700 0.284 0.000 2.634 445 S HA 0.413 4.884 4.470 0.001 0.000 0.296 445 S C 0.683 175.499 174.600 0.360 0.000 1.104 445 S CA -0.612 57.801 58.200 0.355 0.000 0.920 445 S CB 1.784 65.195 63.200 0.352 0.000 1.111 445 S HN 0.225 nan 8.310 nan 0.000 0.493 446 E N 1.464 121.828 120.200 0.274 0.000 2.015 446 E HA -0.109 4.242 4.350 0.001 0.000 0.191 446 E C 1.645 178.195 176.600 -0.083 0.000 0.991 446 E CA 1.647 58.104 56.400 0.095 0.000 0.802 446 E CB -0.289 29.410 29.700 -0.002 0.000 0.759 446 E HN 0.835 nan 8.360 nan 0.000 0.447 447 D N 1.029 121.345 120.400 -0.140 0.000 2.133 447 D HA -0.192 4.448 4.640 0.001 0.000 0.192 447 D C 1.977 177.974 176.300 -0.506 0.000 1.001 447 D CA 1.387 55.145 54.000 -0.402 0.000 0.844 447 D CB -0.727 39.906 40.800 -0.279 0.000 0.944 447 D HN 0.147 nan 8.370 nan 0.000 0.447 448 V N 1.222 121.042 119.914 -0.157 0.000 2.261 448 V HA -0.233 3.887 4.120 0.001 0.000 0.246 448 V C 2.801 178.826 176.094 -0.115 0.000 1.047 448 V CA 2.380 64.614 62.300 -0.109 0.000 1.015 448 V CB -1.125 30.732 31.823 0.058 0.000 0.642 448 V HN 0.292 nan 8.190 nan 0.000 0.446 449 T N 0.435 115.008 114.554 0.032 0.000 2.803 449 T HA -0.178 4.173 4.350 0.001 0.000 0.269 449 T C 1.987 176.636 174.700 -0.086 0.000 1.052 449 T CA 1.523 63.703 62.100 0.134 0.000 1.136 449 T CB -0.415 68.656 68.868 0.339 0.000 0.864 449 T HN 0.578 nan 8.240 nan 0.000 0.467 450 A N 1.305 124.002 122.820 -0.204 0.000 1.873 450 A HA -0.123 4.198 4.320 0.001 0.000 0.215 450 A C 1.912 179.369 177.584 -0.210 0.000 1.186 450 A CA 1.433 53.307 52.037 -0.271 0.000 0.616 450 A CB -0.938 17.825 19.000 -0.396 0.000 0.823 450 A HN 0.691 nan 8.150 nan 0.000 0.442 451 H N -1.240 117.702 119.070 -0.213 0.000 2.456 451 H HA -0.051 4.505 4.556 0.001 0.000 0.296 451 H C 1.976 177.088 175.328 -0.359 0.000 1.079 451 H CA 0.734 56.676 56.048 -0.177 0.000 1.322 451 H CB 0.103 29.849 29.762 -0.026 0.000 1.388 451 H HN 0.326 nan 8.280 nan 0.000 0.538 452 V N 0.405 120.063 119.914 -0.427 0.000 2.302 452 V HA -0.197 3.923 4.120 0.001 0.000 0.243 452 V C 2.165 177.660 176.094 -0.998 0.000 1.036 452 V CA 1.093 62.837 62.300 -0.926 0.000 1.020 452 V CB -0.363 30.566 31.823 -1.490 0.000 0.657 452 V HN 0.210 nan 8.190 nan 0.000 0.453 453 L N 0.242 121.107 121.223 -0.597 0.000 2.012 453 L HA -0.221 4.119 4.340 0.001 0.000 0.210 453 L C 2.494 179.154 176.870 -0.349 0.000 1.073 453 L CA 2.227 56.872 54.840 -0.325 0.000 0.748 453 L CB -0.915 41.067 42.059 -0.128 0.000 0.891 453 L HN 0.442 nan 8.230 nan 0.000 0.431 454 E N -1.548 118.395 120.200 -0.429 0.000 2.209 454 E HA -0.257 4.094 4.350 0.001 0.000 0.196 454 E C 2.394 178.452 176.600 -0.902 0.000 0.993 454 E CA 1.354 57.387 56.400 -0.611 0.000 0.819 454 E CB -0.212 29.095 29.700 -0.656 0.000 0.745 454 E HN 0.568 nan 8.360 nan 0.000 0.477 455 C N -0.377 118.465 119.300 -0.763 0.000 2.473 455 C HA -0.099 4.362 4.460 0.001 0.000 0.279 455 C C 2.231 177.019 174.990 -0.336 0.000 1.250 455 C CA 0.674 59.304 59.018 -0.646 0.000 1.713 455 C CB -1.336 26.111 27.740 -0.488 0.000 2.066 455 C HN 0.533 nan 8.230 nan 0.000 0.474 456 F N 1.953 121.824 119.950 -0.132 0.000 2.161 456 F HA 0.053 4.580 4.527 0.001 0.000 0.300 456 F C 2.609 178.501 175.800 0.153 0.000 1.089 456 F CA 1.295 59.392 58.000 0.162 0.000 1.282 456 F CB -1.783 37.301 39.000 0.140 0.000 1.010 456 F HN 0.371 nan 8.300 nan 0.000 0.485 457 G N -0.007 108.863 108.800 0.117 0.000 2.505 457 G HA2 -0.354 3.606 3.960 0.001 0.000 0.220 457 G HA3 -0.354 3.606 3.960 0.001 0.000 0.220 457 G C 1.839 176.720 174.900 -0.031 0.000 1.145 457 G CA 1.771 46.889 45.100 0.029 0.000 0.761 457 G HN 0.480 nan 8.290 nan 0.000 0.571 458 S N 0.494 116.033 115.700 -0.269 0.000 2.383 458 S HA -0.084 4.386 4.470 0.001 0.000 0.229 458 S C 2.033 176.558 174.600 -0.125 0.000 1.030 458 S CA 1.413 59.435 58.200 -0.296 0.000 1.002 458 S CB -0.567 62.309 63.200 -0.540 0.000 0.829 458 S HN 0.205 nan 8.310 nan 0.000 0.467 459 F N 2.408 122.476 119.950 0.196 0.000 2.604 459 F HA 0.329 4.857 4.527 0.001 0.000 0.298 459 F C 2.301 178.295 175.800 0.322 0.000 1.131 459 F CA 0.187 58.360 58.000 0.288 0.000 1.457 459 F CB -0.681 38.541 39.000 0.370 0.000 1.095 459 F HN 0.493 nan 8.300 nan 0.000 0.574 460 G N -1.800 107.251 108.800 0.418 0.000 2.213 460 G HA2 -0.275 3.685 3.960 0.001 0.000 0.226 460 G HA3 -0.275 3.685 3.960 0.001 0.000 0.226 460 G C 0.067 175.131 174.900 0.274 0.000 0.992 460 G CA -0.517 44.742 45.100 0.265 0.000 0.632 460 G HN 0.166 nan 8.290 nan 0.000 0.511 461 Y N 3.333 123.761 120.300 0.214 0.000 2.610 461 Y HA 0.417 4.968 4.550 0.001 0.000 0.332 461 Y C 1.125 177.172 175.900 0.244 0.000 1.201 461 Y CA -0.119 58.111 58.100 0.217 0.000 1.465 461 Y CB 0.531 39.190 38.460 0.332 0.000 1.283 461 Y HN 0.463 nan 8.280 nan 0.000 0.563 462 D N 0.368 120.956 120.400 0.312 0.000 2.712 462 D HA 0.104 4.745 4.640 0.001 0.000 0.252 462 D C 0.337 176.792 176.300 0.257 0.000 1.123 462 D CA -0.478 53.667 54.000 0.241 0.000 1.109 462 D CB 0.527 41.411 40.800 0.141 0.000 1.313 462 D HN 0.455 nan 8.370 nan 0.000 0.629 463 D N -0.760 119.748 120.400 0.180 0.000 2.354 463 D HA -0.101 4.540 4.640 0.001 0.000 0.216 463 D C 1.720 178.113 176.300 0.155 0.000 0.970 463 D CA 1.480 55.573 54.000 0.155 0.000 0.905 463 D CB -0.137 40.732 40.800 0.115 0.000 0.903 463 D HN 0.435 nan 8.370 nan 0.000 0.508 464 A N -0.015 122.905 122.820 0.167 0.000 1.855 464 A HA -0.068 4.252 4.320 0.001 0.000 0.215 464 A C 0.945 178.669 177.584 0.233 0.000 1.191 464 A CA 0.454 52.582 52.037 0.152 0.000 0.613 464 A CB -1.008 18.055 19.000 0.106 0.000 0.829 464 A HN 0.478 nan 8.150 nan 0.000 0.442 465 W N 2.184 123.522 121.300 0.063 0.000 2.347 465 W HA 0.128 4.789 4.660 0.001 0.000 0.333 465 W C 1.374 177.940 176.519 0.078 0.000 1.383 465 W CA -0.189 57.203 57.345 0.078 0.000 1.283 465 W CB 0.438 29.983 29.460 0.141 0.000 1.253 465 W HN 0.425 nan 8.180 nan 0.000 0.563 466 K N 3.491 124.001 120.400 0.183 0.000 2.044 466 K HA -0.236 4.084 4.320 0.001 0.000 0.210 466 K C 1.620 178.055 176.600 -0.274 0.000 1.049 466 K CA 2.326 58.589 56.287 -0.039 0.000 0.927 466 K CB -0.276 32.229 32.500 0.007 0.000 0.713 466 K HN 0.414 nan 8.250 nan 0.000 0.443 467 V N 1.825 121.298 119.914 -0.736 0.000 2.278 467 V HA -0.321 3.799 4.120 0.001 0.000 0.251 467 V C 2.353 178.202 176.094 -0.407 0.000 1.062 467 V CA 2.205 64.037 62.300 -0.780 0.000 1.038 467 V CB -0.390 30.492 31.823 -1.569 0.000 0.646 467 V HN 0.371 nan 8.190 nan 0.000 0.447 468 I N -0.683 119.694 120.570 -0.322 0.000 2.226 468 I HA -0.253 3.918 4.170 0.001 0.000 0.245 468 I C 2.741 178.882 176.117 0.040 0.000 1.100 468 I CA 1.832 63.146 61.300 0.023 0.000 1.374 468 I CB -0.506 37.613 38.000 0.197 0.000 1.057 468 I HN 0.258 nan 8.210 nan 0.000 0.413 469 R N 1.445 121.954 120.500 0.015 0.000 2.083 469 R HA -0.186 4.155 4.340 0.001 0.000 0.237 469 R C 2.524 178.828 176.300 0.006 0.000 1.137 469 R CA 1.587 57.703 56.100 0.028 0.000 0.951 469 R CB -0.154 30.162 30.300 0.026 0.000 0.851 469 R HN 0.275 nan 8.270 nan 0.000 0.434 470 R N 0.025 120.498 120.500 -0.045 0.000 2.119 470 R HA -0.193 4.147 4.340 0.001 0.000 0.246 470 R C 2.357 178.649 176.300 -0.013 0.000 1.146 470 R CA 1.674 57.738 56.100 -0.060 0.000 0.962 470 R CB -0.551 29.662 30.300 -0.144 0.000 0.863 470 R HN 0.316 nan 8.270 nan 0.000 0.442 471 A N 0.934 123.758 122.820 0.007 0.000 1.845 471 A HA -0.111 4.210 4.320 0.001 0.000 0.215 471 A C 2.458 180.137 177.584 0.159 0.000 1.195 471 A CA 1.526 53.632 52.037 0.116 0.000 0.616 471 A CB -0.722 18.417 19.000 0.232 0.000 0.832 471 A HN 0.116 nan 8.150 nan 0.000 0.443 472 V N 0.600 120.580 119.914 0.109 0.000 2.324 472 V HA -0.285 3.835 4.120 0.001 0.000 0.250 472 V C 2.592 178.733 176.094 0.079 0.000 1.060 472 V CA 2.305 64.660 62.300 0.093 0.000 1.042 472 V CB -0.846 31.032 31.823 0.092 0.000 0.650 472 V HN 0.522 nan 8.190 nan 0.000 0.450 473 E N -0.625 119.614 120.200 0.065 0.000 2.077 473 E HA -0.240 4.111 4.350 0.001 0.000 0.193 473 E C 2.058 178.703 176.600 0.075 0.000 0.989 473 E CA 1.737 58.162 56.400 0.042 0.000 0.800 473 E CB -0.493 29.225 29.700 0.030 0.000 0.746 473 E HN 0.786 nan 8.360 nan 0.000 0.452 474 Y N 1.562 121.861 120.300 -0.001 0.000 2.128 474 Y HA -0.197 4.354 4.550 0.001 0.000 0.284 474 Y C 2.191 178.130 175.900 0.066 0.000 1.154 474 Y CA 1.461 59.567 58.100 0.010 0.000 1.149 474 Y CB -0.532 37.916 38.460 -0.020 0.000 0.976 474 Y HN -0.062 nan 8.280 nan 0.000 0.505 475 L N 0.053 121.199 121.223 -0.128 0.000 2.046 475 L HA -0.227 4.113 4.340 0.001 0.000 0.208 475 L C 2.536 179.509 176.870 0.173 0.000 1.077 475 L CA 1.736 56.495 54.840 -0.134 0.000 0.747 475 L CB -0.578 41.400 42.059 -0.134 0.000 0.896 475 L HN 0.138 nan 8.230 nan 0.000 0.432 476 K N -0.051 120.432 120.400 0.139 0.000 2.032 476 K HA -0.172 4.149 4.320 0.001 0.000 0.209 476 K C 2.251 178.871 176.600 0.033 0.000 1.048 476 K CA 1.376 57.731 56.287 0.113 0.000 0.927 476 K CB -0.146 32.296 32.500 -0.097 0.000 0.712 476 K HN 0.293 nan 8.250 nan 0.000 0.441 477 R N 0.676 121.164 120.500 -0.020 0.000 2.096 477 R HA -0.097 4.244 4.340 0.001 0.000 0.235 477 R C 1.978 178.243 176.300 -0.059 0.000 1.127 477 R CA 0.967 57.042 56.100 -0.042 0.000 0.968 477 R CB -0.112 30.174 30.300 -0.024 0.000 0.861 477 R HN 0.202 nan 8.270 nan 0.000 0.440 478 E N 1.156 121.300 120.200 -0.093 0.000 2.285 478 E HA -0.090 4.260 4.350 0.001 0.000 0.194 478 E C 0.604 177.188 176.600 -0.026 0.000 0.997 478 E CA 0.177 56.531 56.400 -0.077 0.000 0.845 478 E CB -0.101 29.474 29.700 -0.208 0.000 0.782 478 E HN 0.347 nan 8.360 nan 0.000 0.491 479 Q N 1.687 121.475 119.800 -0.020 0.000 2.342 479 Q HA -0.113 4.227 4.340 0.001 0.000 0.330 479 Q C -0.296 175.459 176.000 -0.408 0.000 1.117 479 Q CA 0.564 56.043 55.803 -0.540 0.000 1.010 479 Q CB 0.576 28.942 28.738 -0.620 0.000 1.204 479 Q HN -0.277 nan 8.270 nan 0.000 0.400 480 K N 4.420 124.516 120.400 -0.506 0.000 2.126 480 K HA 0.158 4.478 4.320 0.001 0.000 0.257 480 K C -1.849 174.557 176.600 -0.323 0.000 1.007 480 K CA -2.059 54.028 56.287 -0.333 0.000 0.928 480 K CB 0.403 32.702 32.500 -0.335 0.000 1.013 480 K HN 0.483 nan 8.250 nan 0.000 0.473 481 P HA -0.208 nan 4.420 nan 0.000 0.217 481 P C 0.322 177.528 177.300 -0.157 0.000 1.151 481 P CA 1.519 64.526 63.100 -0.155 0.000 0.849 481 P CB 0.148 31.786 31.700 -0.105 0.000 0.787 482 D N -2.081 118.203 120.400 -0.193 0.000 2.323 482 D HA 0.066 4.706 4.640 0.001 0.000 0.239 482 D C 1.291 177.444 176.300 -0.245 0.000 1.129 482 D CA 0.587 54.514 54.000 -0.121 0.000 0.865 482 D CB -0.909 39.886 40.800 -0.009 0.000 0.913 482 D HN 0.247 nan 8.370 nan 0.000 0.517 483 G N 0.871 109.450 108.800 -0.369 0.000 2.189 483 G HA2 -0.334 3.627 3.960 0.001 0.000 0.267 483 G HA3 -0.334 3.627 3.960 0.001 0.000 0.267 483 G C 0.472 174.911 174.900 -0.769 0.000 0.975 483 G CA 0.706 45.516 45.100 -0.484 0.000 0.644 483 G HN 0.739 nan 8.290 nan 0.000 0.537 484 S N -1.003 114.131 115.700 -0.943 0.000 2.707 484 S HA 0.764 5.234 4.470 0.001 0.000 0.276 484 S C -0.268 173.925 174.600 -0.679 0.000 1.179 484 S CA -0.676 56.898 58.200 -1.044 0.000 0.992 484 S CB 1.718 63.889 63.200 -1.715 0.000 1.030 484 S HN 0.503 nan 8.310 nan 0.000 0.554 485 W N 0.752 121.900 121.300 -0.252 0.000 2.781 485 W HA 0.395 5.056 4.660 0.001 0.000 0.333 485 W C -0.684 175.867 176.519 0.054 0.000 1.047 485 W CA -1.701 55.601 57.345 -0.071 0.000 1.236 485 W CB 1.549 30.925 29.460 -0.140 0.000 1.394 485 W HN 0.760 nan 8.180 nan 0.000 0.466 486 F N 2.248 122.311 119.950 0.189 0.000 2.628 486 F HA 0.324 4.852 4.527 0.001 0.000 0.362 486 F C 0.824 176.559 175.800 -0.109 0.000 1.148 486 F CA 0.886 58.833 58.000 -0.088 0.000 1.352 486 F CB 0.639 39.642 39.000 0.005 0.000 1.081 486 F HN 0.276 nan 8.300 nan 0.000 0.605 487 G N 5.551 113.710 108.800 -1.068 0.000 2.468 487 G HA2 0.368 4.328 3.960 0.001 0.000 0.320 487 G HA3 0.368 4.328 3.960 0.001 0.000 0.320 487 G C 0.274 174.684 174.900 -0.817 0.000 1.137 487 G CA -0.630 44.110 45.100 -0.600 0.000 0.984 487 G HN 0.763 nan 8.290 nan 0.000 0.462 488 R N 2.511 122.773 120.500 -0.397 0.000 2.052 488 R HA 0.047 4.387 4.340 0.001 0.000 0.226 488 R C 0.800 176.825 176.300 -0.459 0.000 1.145 488 R CA 1.136 57.032 56.100 -0.341 0.000 0.952 488 R CB -0.238 30.000 30.300 -0.104 0.000 0.847 488 R HN 0.615 nan 8.270 nan 0.000 0.431 489 W N 0.123 121.403 121.300 -0.033 0.000 3.151 489 W HA 0.552 5.213 4.660 0.001 0.000 0.424 489 W C 0.024 176.383 176.519 -0.267 0.000 1.012 489 W CA 0.081 57.359 57.345 -0.111 0.000 2.018 489 W CB 0.594 29.995 29.460 -0.099 0.000 1.087 489 W HN 0.229 nan 8.180 nan 0.000 0.740 490 G N -0.519 108.132 108.800 -0.248 0.000 2.698 490 G HA2 0.473 4.434 3.960 0.001 0.000 0.293 490 G HA3 0.473 4.434 3.960 0.001 0.000 0.293 490 G C -1.706 173.075 174.900 -0.198 0.000 1.437 490 G CA -0.810 43.822 45.100 -0.780 0.000 0.852 490 G HN -0.239 nan 8.290 nan 0.000 0.499 491 V N 2.329 122.246 119.914 0.005 0.000 2.320 491 V HA 0.424 4.544 4.120 0.001 0.000 0.265 491 V C 0.300 176.502 176.094 0.180 0.000 1.048 491 V CA -0.395 62.000 62.300 0.158 0.000 0.865 491 V CB 0.475 32.426 31.823 0.213 0.000 1.043 491 V HN 0.845 nan 8.190 nan 0.000 0.474 492 N N 3.226 121.950 118.700 0.041 0.000 2.714 492 N HA 0.045 4.786 4.740 0.001 0.000 0.312 492 N C 1.104 176.424 175.510 -0.315 0.000 1.297 492 N CA 0.041 52.910 53.050 -0.303 0.000 1.582 492 N CB -0.042 38.022 38.487 -0.705 0.000 0.778 492 N HN 0.259 nan 8.380 nan 0.000 1.341 493 Y N 2.128 122.369 120.300 -0.099 0.000 2.352 493 Y HA 0.237 4.787 4.550 0.001 0.000 0.292 493 Y C 2.304 178.158 175.900 -0.077 0.000 1.136 493 Y CA 0.820 58.830 58.100 -0.149 0.000 1.227 493 Y CB -0.194 38.125 38.460 -0.235 0.000 0.991 493 Y HN 0.174 nan 8.280 nan 0.000 0.545 494 L N -1.840 119.538 121.223 0.258 0.000 2.109 494 L HA -0.223 4.117 4.340 0.001 0.000 0.207 494 L C 2.231 179.178 176.870 0.128 0.000 1.086 494 L CA 1.209 56.213 54.840 0.273 0.000 0.760 494 L CB -0.513 41.747 42.059 0.334 0.000 0.910 494 L HN 0.237 nan 8.230 nan 0.000 0.437 495 Y N 0.555 120.785 120.300 -0.117 0.000 2.163 495 Y HA -0.107 4.444 4.550 0.001 0.000 0.288 495 Y C 2.247 177.862 175.900 -0.475 0.000 1.136 495 Y CA 1.435 59.172 58.100 -0.605 0.000 1.147 495 Y CB -0.705 37.288 38.460 -0.779 0.000 0.987 495 Y HN 0.031 nan 8.280 nan 0.000 0.509 496 G N -0.891 107.662 108.800 -0.412 0.000 2.434 496 G HA2 -0.246 3.714 3.960 0.001 0.000 0.214 496 G HA3 -0.246 3.714 3.960 0.001 0.000 0.214 496 G C 1.660 176.400 174.900 -0.267 0.000 1.202 496 G CA 1.569 46.434 45.100 -0.393 0.000 0.788 496 G HN 0.407 nan 8.290 nan 0.000 0.539 497 T N 1.169 115.689 114.554 -0.056 0.000 2.653 497 T HA -0.150 4.201 4.350 0.001 0.000 0.268 497 T C 2.447 177.108 174.700 -0.064 0.000 1.035 497 T CA 1.791 63.941 62.100 0.084 0.000 1.154 497 T CB -0.785 68.101 68.868 0.030 0.000 0.862 497 T HN 0.387 nan 8.240 nan 0.000 0.441 498 G N 0.996 109.707 108.800 -0.148 0.000 2.440 498 G HA2 -0.052 3.909 3.960 0.001 0.000 0.218 498 G HA3 -0.052 3.909 3.960 0.001 0.000 0.218 498 G C 1.831 176.579 174.900 -0.254 0.000 1.154 498 G CA 1.017 46.014 45.100 -0.172 0.000 0.767 498 G HN 0.614 nan 8.290 nan 0.000 0.552 499 A N 0.179 122.747 122.820 -0.419 0.000 1.851 499 A HA 0.031 4.351 4.320 0.001 0.000 0.216 499 A C 2.633 179.996 177.584 -0.367 0.000 1.195 499 A CA 2.073 53.856 52.037 -0.423 0.000 0.622 499 A CB -0.871 17.728 19.000 -0.668 0.000 0.831 499 A HN 0.269 nan 8.150 nan 0.000 0.444 500 V N -0.307 119.319 119.914 -0.479 0.000 2.214 500 V HA -0.280 3.840 4.120 0.001 0.000 0.245 500 V C 2.573 178.399 176.094 -0.446 0.000 1.047 500 V CA 2.179 64.097 62.300 -0.637 0.000 0.998 500 V CB -1.136 29.897 31.823 -1.317 0.000 0.633 500 V HN 0.366 nan 8.190 nan 0.000 0.446 501 V N -0.028 119.692 119.914 -0.322 0.000 2.278 501 V HA -0.333 3.787 4.120 0.001 0.000 0.251 501 V C 2.729 178.734 176.094 -0.148 0.000 1.062 501 V CA 2.594 64.792 62.300 -0.169 0.000 1.038 501 V CB -0.940 30.850 31.823 -0.056 0.000 0.646 501 V HN 0.649 nan 8.190 nan 0.000 0.447 502 S N -0.554 115.059 115.700 -0.145 0.000 2.370 502 S HA -0.202 4.268 4.470 0.001 0.000 0.226 502 S C 2.085 176.603 174.600 -0.137 0.000 1.033 502 S CA 1.760 59.895 58.200 -0.108 0.000 1.011 502 S CB -0.324 62.829 63.200 -0.077 0.000 0.852 502 S HN 0.645 nan 8.310 nan 0.000 0.457 503 A N 1.657 124.366 122.820 -0.185 0.000 1.841 503 A HA 0.078 4.398 4.320 0.001 0.000 0.214 503 A C 2.242 179.734 177.584 -0.153 0.000 1.195 503 A CA 1.502 53.418 52.037 -0.201 0.000 0.611 503 A CB -1.038 17.823 19.000 -0.231 0.000 0.835 503 A HN 0.564 nan 8.150 nan 0.000 0.443 504 L N -0.491 120.640 121.223 -0.154 0.000 2.081 504 L HA -0.237 4.104 4.340 0.001 0.000 0.212 504 L C 2.684 179.521 176.870 -0.055 0.000 1.080 504 L CA 1.728 56.515 54.840 -0.088 0.000 0.754 504 L CB -0.511 41.487 42.059 -0.102 0.000 0.893 504 L HN 0.336 nan 8.230 nan 0.000 0.433 505 K N 0.692 121.048 120.400 -0.073 0.000 2.097 505 K HA -0.146 4.175 4.320 0.001 0.000 0.206 505 K C 2.018 178.595 176.600 -0.039 0.000 1.049 505 K CA 1.664 57.922 56.287 -0.047 0.000 0.933 505 K CB -0.139 32.332 32.500 -0.048 0.000 0.717 505 K HN 0.298 nan 8.250 nan 0.000 0.442 506 A N 0.681 123.459 122.820 -0.070 0.000 1.968 506 A HA -0.070 4.251 4.320 0.001 0.000 0.217 506 A C 1.805 179.372 177.584 -0.029 0.000 1.169 506 A CA 1.351 53.340 52.037 -0.079 0.000 0.638 506 A CB -0.353 18.541 19.000 -0.176 0.000 0.812 506 A HN 0.173 nan 8.150 nan 0.000 0.446 507 V N -3.284 116.628 119.914 -0.004 0.000 3.490 507 V HA 0.521 4.641 4.120 0.001 0.000 0.315 507 V C 1.290 177.432 176.094 0.081 0.000 1.284 507 V CA 0.547 62.889 62.300 0.069 0.000 1.233 507 V CB -1.152 30.725 31.823 0.091 0.000 1.101 507 V HN 1.292 nan 8.190 nan 0.000 0.425 508 G N 0.255 109.086 108.800 0.053 0.000 2.267 508 G HA2 -0.255 3.706 3.960 0.001 0.000 0.257 508 G HA3 -0.255 3.706 3.960 0.001 0.000 0.257 508 G C 0.157 175.090 174.900 0.054 0.000 0.998 508 G CA 0.177 45.310 45.100 0.055 0.000 0.620 508 G HN 0.489 nan 8.290 nan 0.000 0.529 509 I N 1.738 122.344 120.570 0.060 0.000 3.058 509 I HA 0.068 4.238 4.170 0.001 0.000 0.299 509 I C 0.731 176.879 176.117 0.052 0.000 1.238 509 I CA 0.005 61.349 61.300 0.073 0.000 1.423 509 I CB 0.144 38.195 38.000 0.086 0.000 1.330 509 I HN 0.287 nan 8.210 nan 0.000 0.589 510 D N 3.088 123.528 120.400 0.067 0.000 2.325 510 D HA 0.078 4.718 4.640 0.001 0.000 0.251 510 D C 1.315 177.627 176.300 0.021 0.000 1.196 510 D CA -0.125 53.904 54.000 0.048 0.000 0.866 510 D CB 0.835 41.673 40.800 0.063 0.000 1.101 510 D HN 0.666 nan 8.370 nan 0.000 0.476 511 T N 1.325 115.879 114.554 -0.001 0.000 3.098 511 T HA -0.134 4.217 4.350 0.001 0.000 0.266 511 T C 1.684 176.370 174.700 -0.023 0.000 1.145 511 T CA 0.553 62.636 62.100 -0.029 0.000 1.092 511 T CB -0.061 68.796 68.868 -0.018 0.000 0.908 511 T HN 0.371 nan 8.240 nan 0.000 0.526 512 R N 0.626 121.129 120.500 0.005 0.000 2.240 512 R HA 0.085 4.426 4.340 0.001 0.000 0.203 512 R C 0.329 176.647 176.300 0.030 0.000 1.011 512 R CA 0.007 56.117 56.100 0.017 0.000 1.007 512 R CB 0.060 30.377 30.300 0.029 0.000 0.911 512 R HN 0.426 nan 8.270 nan 0.000 0.468 513 E N 0.652 120.878 120.200 0.044 0.000 2.521 513 E HA -0.126 4.224 4.350 0.001 0.000 0.270 513 E C -1.869 174.791 176.600 0.099 0.000 1.082 513 E CA -0.680 55.792 56.400 0.120 0.000 0.997 513 E CB 0.299 30.148 29.700 0.248 0.000 0.990 513 E HN 0.111 nan 8.360 nan 0.000 0.458 514 P HA -0.159 nan 4.420 nan 0.000 0.213 514 P C 1.418 178.809 177.300 0.151 0.000 1.170 514 P CA 1.543 64.728 63.100 0.141 0.000 0.893 514 P CB -0.255 31.527 31.700 0.137 0.000 0.784 515 Y N -0.776 119.534 120.300 0.017 0.000 2.298 515 Y HA -0.170 4.381 4.550 0.001 0.000 0.287 515 Y C 1.805 177.725 175.900 0.032 0.000 1.164 515 Y CA 0.672 58.770 58.100 -0.003 0.000 1.229 515 Y CB -1.984 36.484 38.460 0.013 0.000 0.977 515 Y HN -0.112 nan 8.280 nan 0.000 0.538 516 I N 0.617 120.879 120.570 -0.513 0.000 2.162 516 I HA -0.215 3.955 4.170 0.001 0.000 0.238 516 I C 2.447 178.493 176.117 -0.118 0.000 1.076 516 I CA 1.234 62.302 61.300 -0.387 0.000 1.353 516 I CB -1.448 36.321 38.000 -0.386 0.000 1.063 516 I HN 0.285 nan 8.210 nan 0.000 0.408 517 Q N 0.933 120.694 119.800 -0.065 0.000 2.112 517 Q HA -0.262 4.078 4.340 0.001 0.000 0.206 517 Q C 2.196 178.207 176.000 0.017 0.000 0.987 517 Q CA 1.557 57.357 55.803 -0.004 0.000 0.858 517 Q CB -0.577 28.170 28.738 0.014 0.000 0.905 517 Q HN 0.494 nan 8.270 nan 0.000 0.420 518 K N 0.039 120.444 120.400 0.009 0.000 2.281 518 K HA -0.114 4.207 4.320 0.001 0.000 0.203 518 K C 1.828 178.442 176.600 0.022 0.000 1.046 518 K CA 1.027 57.325 56.287 0.017 0.000 0.938 518 K CB 0.045 32.542 32.500 -0.005 0.000 0.737 518 K HN 0.174 nan 8.250 nan 0.000 0.458 519 A N 0.547 123.361 122.820 -0.011 0.000 1.861 519 A HA -0.031 4.289 4.320 0.001 0.000 0.212 519 A C 1.892 179.562 177.584 0.143 0.000 1.199 519 A CA 0.656 52.700 52.037 0.013 0.000 0.613 519 A CB -0.410 18.601 19.000 0.018 0.000 0.846 519 A HN 0.195 nan 8.150 nan 0.000 0.446 520 L N 0.694 121.974 121.223 0.096 0.000 2.013 520 L HA -0.246 4.094 4.340 0.001 0.000 0.212 520 L C 2.067 179.020 176.870 0.138 0.000 1.073 520 L CA 2.151 57.051 54.840 0.100 0.000 0.753 520 L CB -0.810 41.283 42.059 0.057 0.000 0.890 520 L HN 0.353 nan 8.230 nan 0.000 0.432 521 D N -1.446 119.031 120.400 0.127 0.000 2.133 521 D HA -0.282 4.359 4.640 0.001 0.000 0.195 521 D C 1.927 178.333 176.300 0.177 0.000 0.997 521 D CA 1.442 55.518 54.000 0.127 0.000 0.840 521 D CB -0.379 40.481 40.800 0.100 0.000 0.947 521 D HN 0.504 nan 8.370 nan 0.000 0.452 522 W N 1.708 123.035 121.300 0.045 0.000 2.325 522 W HA -0.242 4.419 4.660 0.001 0.000 0.299 522 W C 2.141 178.749 176.519 0.149 0.000 1.215 522 W CA 1.361 58.753 57.345 0.077 0.000 1.244 522 W CB -0.228 29.208 29.460 -0.039 0.000 1.140 522 W HN -0.225 nan 8.180 nan 0.000 0.523 523 V N 0.737 120.821 119.914 0.284 0.000 2.307 523 V HA -0.293 3.827 4.120 0.001 0.000 0.245 523 V C 2.132 178.374 176.094 0.247 0.000 1.045 523 V CA 2.365 64.741 62.300 0.127 0.000 1.024 523 V CB -1.021 30.826 31.823 0.040 0.000 0.651 523 V HN 0.179 nan 8.190 nan 0.000 0.449 524 E N -0.074 120.264 120.200 0.231 0.000 2.160 524 E HA -0.276 4.074 4.350 0.001 0.000 0.195 524 E C 2.244 178.935 176.600 0.152 0.000 0.991 524 E CA 1.241 57.802 56.400 0.268 0.000 0.810 524 E CB -0.178 29.618 29.700 0.160 0.000 0.742 524 E HN 0.676 nan 8.360 nan 0.000 0.466 525 Q N -0.356 119.481 119.800 0.061 0.000 2.364 525 Q HA -0.119 4.222 4.340 0.001 0.000 0.207 525 Q C 0.923 176.781 176.000 -0.237 0.000 0.970 525 Q CA 0.857 56.606 55.803 -0.090 0.000 0.888 525 Q CB 0.076 28.729 28.738 -0.142 0.000 0.951 525 Q HN 0.406 nan 8.270 nan 0.000 0.469 526 H N -0.807 118.141 119.070 -0.203 0.000 2.652 526 H HA 0.139 4.695 4.556 0.001 0.000 0.274 526 H C -0.124 175.114 175.328 -0.151 0.000 1.021 526 H CA -0.199 55.728 56.048 -0.202 0.000 1.187 526 H CB 0.298 29.841 29.762 -0.365 0.000 1.505 526 H HN 0.121 nan 8.280 nan 0.000 0.530 527 Q N 1.934 121.631 119.800 -0.173 0.000 2.274 527 Q HA -0.022 4.319 4.340 0.001 0.000 0.280 527 Q C -0.259 175.403 176.000 -0.563 0.000 1.047 527 Q CA -0.283 54.964 55.803 -0.927 0.000 0.907 527 Q CB 0.469 28.643 28.738 -0.940 0.000 1.171 527 Q HN 0.372 nan 8.270 nan 0.000 0.381 528 N N 4.595 122.962 118.700 -0.555 0.000 2.371 528 N HA 0.030 4.770 4.740 0.001 0.000 0.243 528 N C -1.892 173.460 175.510 -0.264 0.000 1.287 528 N CA -1.053 51.813 53.050 -0.308 0.000 0.911 528 N CB 0.388 38.740 38.487 -0.224 0.000 1.142 528 N HN 0.505 nan 8.380 nan 0.000 0.451 529 P HA -0.130 nan 4.420 nan 0.000 0.215 529 P C 0.233 177.484 177.300 -0.081 0.000 1.153 529 P CA 1.313 64.346 63.100 -0.113 0.000 0.853 529 P CB 0.015 31.671 31.700 -0.073 0.000 0.788 530 D N -1.939 118.437 120.400 -0.039 0.000 2.379 530 D HA 0.046 4.686 4.640 0.001 0.000 0.243 530 D C 1.478 177.842 176.300 0.107 0.000 1.088 530 D CA 0.905 54.941 54.000 0.060 0.000 0.925 530 D CB -0.962 39.936 40.800 0.164 0.000 0.888 530 D HN 0.255 nan 8.370 nan 0.000 0.529 531 G N -0.924 107.822 108.800 -0.091 0.000 2.498 531 G HA2 -0.244 3.717 3.960 0.001 0.000 0.229 531 G HA3 -0.244 3.717 3.960 0.001 0.000 0.229 531 G C 0.766 175.397 174.900 -0.450 0.000 1.156 531 G CA 0.086 45.079 45.100 -0.179 0.000 0.680 531 G HN 0.854 nan 8.290 nan 0.000 0.512 532 G N -1.178 107.321 108.800 -0.502 0.000 2.588 532 G HA2 0.452 4.413 3.960 0.001 0.000 0.278 532 G HA3 0.452 4.413 3.960 0.001 0.000 0.278 532 G C -0.159 174.330 174.900 -0.684 0.000 1.307 532 G CA -0.116 44.449 45.100 -0.891 0.000 1.016 532 G HN 0.334 nan 8.290 nan 0.000 0.503 533 W N -1.236 119.828 121.300 -0.395 0.000 2.706 533 W HA 0.614 5.274 4.660 0.001 0.000 0.346 533 W C 0.090 176.498 176.519 -0.184 0.000 1.071 533 W CA -0.568 56.651 57.345 -0.209 0.000 1.206 533 W CB 2.388 31.772 29.460 -0.127 0.000 1.413 533 W HN 0.796 nan 8.180 nan 0.000 0.542 534 G N 1.294 110.173 108.800 0.131 0.000 2.746 534 G HA2 0.457 4.417 3.960 0.001 0.000 0.297 534 G HA3 0.457 4.417 3.960 0.001 0.000 0.297 534 G C -2.059 172.901 174.900 0.101 0.000 1.426 534 G CA -0.583 44.550 45.100 0.056 0.000 0.989 534 G HN 0.347 nan 8.290 nan 0.000 0.520 535 E N 1.477 121.726 120.200 0.083 0.000 2.343 535 E HA 0.310 4.661 4.350 0.001 0.000 0.260 535 E C -1.402 175.204 176.600 0.010 0.000 0.908 535 E CA -0.643 55.822 56.400 0.108 0.000 0.814 535 E CB 1.751 31.559 29.700 0.180 0.000 1.302 535 E HN 0.432 nan 8.360 nan 0.000 0.408 536 D N 2.528 122.905 120.400 -0.039 0.000 2.372 536 D HA 0.040 4.681 4.640 0.001 0.000 0.243 536 D C 0.704 176.858 176.300 -0.244 0.000 1.121 536 D CA -0.266 53.629 54.000 -0.174 0.000 0.898 536 D CB 0.929 41.575 40.800 -0.257 0.000 1.202 536 D HN 0.515 nan 8.370 nan 0.000 0.428 537 C N 2.482 121.516 119.300 -0.443 0.000 2.409 537 C HA -0.101 4.360 4.460 0.001 0.000 0.284 537 C C 2.315 177.053 174.990 -0.421 0.000 1.354 537 C CA 0.357 58.968 59.018 -0.678 0.000 1.787 537 C CB -1.080 25.538 27.740 -1.870 0.000 1.900 537 C HN 0.683 nan 8.230 nan 0.000 0.520 538 R N 1.482 121.757 120.500 -0.375 0.000 2.249 538 R HA -0.131 4.210 4.340 0.001 0.000 0.230 538 R C 2.184 178.484 176.300 -0.001 0.000 1.121 538 R CA 1.584 57.563 56.100 -0.201 0.000 0.997 538 R CB -0.400 29.551 30.300 -0.581 0.000 0.867 538 R HN 0.760 nan 8.270 nan 0.000 0.465 539 S N -0.572 115.119 115.700 -0.015 0.000 2.537 539 S HA -0.137 4.334 4.470 0.001 0.000 0.240 539 S C 1.331 175.949 174.600 0.030 0.000 0.981 539 S CA 0.720 58.978 58.200 0.097 0.000 0.948 539 S CB -0.218 63.017 63.200 0.058 0.000 0.759 539 S HN 0.341 nan 8.310 nan 0.000 0.531 540 Y N 1.454 121.848 120.300 0.157 0.000 2.397 540 Y HA 0.252 4.803 4.550 0.001 0.000 0.292 540 Y C 2.673 178.699 175.900 0.210 0.000 1.115 540 Y CA 0.718 58.947 58.100 0.215 0.000 1.208 540 Y CB 0.006 38.612 38.460 0.244 0.000 1.046 540 Y HN 0.248 nan 8.280 nan 0.000 0.552 541 E N -0.055 120.339 120.200 0.324 0.000 2.045 541 E HA -0.064 4.286 4.350 0.001 0.000 0.190 541 E C -0.035 176.701 176.600 0.227 0.000 0.968 541 E CA 0.824 57.378 56.400 0.255 0.000 0.813 541 E CB -0.231 29.609 29.700 0.233 0.000 0.780 541 E HN 0.242 nan 8.360 nan 0.000 0.455 542 D N 1.147 121.698 120.400 0.252 0.000 2.381 542 D HA 0.091 4.732 4.640 0.001 0.000 0.235 542 D C -1.794 174.667 176.300 0.269 0.000 1.068 542 D CA -2.322 51.831 54.000 0.256 0.000 0.832 542 D CB 1.788 42.776 40.800 0.314 0.000 1.101 542 D HN -0.223 nan 8.370 nan 0.000 0.515 543 P HA -0.146 nan 4.420 nan 0.000 0.222 543 P C 0.981 178.361 177.300 0.134 0.000 1.147 543 P CA 0.635 63.837 63.100 0.170 0.000 0.790 543 P CB 0.158 31.923 31.700 0.109 0.000 0.780 544 A N -1.363 121.505 122.820 0.081 0.000 2.178 544 A HA -0.145 4.176 4.320 0.001 0.000 0.218 544 A C 1.444 178.971 177.584 -0.095 0.000 1.157 544 A CA 0.896 52.909 52.037 -0.039 0.000 0.689 544 A CB -1.457 17.464 19.000 -0.132 0.000 0.787 544 A HN 0.159 nan 8.150 nan 0.000 0.465 545 Y N -0.597 119.765 120.300 0.104 0.000 2.485 545 Y HA 0.453 5.004 4.550 0.001 0.000 0.260 545 Y C 1.361 177.358 175.900 0.163 0.000 1.173 545 Y CA -0.433 57.731 58.100 0.107 0.000 1.252 545 Y CB -0.150 38.360 38.460 0.082 0.000 1.123 545 Y HN 0.280 nan 8.280 nan 0.000 0.524 546 A N 0.246 123.262 122.820 0.327 0.000 2.476 546 A HA 0.424 4.745 4.320 0.001 0.000 0.275 546 A C 1.601 179.447 177.584 0.436 0.000 1.133 546 A CA 0.798 53.074 52.037 0.398 0.000 0.797 546 A CB -0.960 18.141 19.000 0.167 0.000 1.081 546 A HN 0.870 nan 8.150 nan 0.000 0.510 547 G N 2.209 111.272 108.800 0.439 0.000 2.184 547 G HA2 -0.250 3.710 3.960 0.001 0.000 0.264 547 G HA3 -0.250 3.710 3.960 0.001 0.000 0.264 547 G C 0.251 175.335 174.900 0.308 0.000 0.975 547 G CA 0.890 46.178 45.100 0.313 0.000 0.642 547 G HN 0.799 nan 8.290 nan 0.000 0.536 548 K N 0.232 120.805 120.400 0.289 0.000 2.138 548 K HA 0.657 4.977 4.320 0.001 0.000 0.263 548 K C 0.428 177.150 176.600 0.204 0.000 0.965 548 K CA 0.121 56.532 56.287 0.208 0.000 0.868 548 K CB 1.853 34.447 32.500 0.157 0.000 1.083 548 K HN 1.017 nan 8.250 nan 0.000 0.443 549 G N 0.366 109.231 108.800 0.107 0.000 2.350 549 G HA2 0.318 4.279 3.960 0.001 0.000 0.304 549 G HA3 0.318 4.279 3.960 0.001 0.000 0.304 549 G C -1.561 173.302 174.900 -0.062 0.000 1.421 549 G CA -0.677 44.433 45.100 0.016 0.000 0.934 549 G HN 0.642 nan 8.290 nan 0.000 0.632 550 A N 0.386 123.098 122.820 -0.181 0.000 2.498 550 A HA 0.601 4.922 4.320 0.001 0.000 0.239 550 A C 1.097 178.633 177.584 -0.080 0.000 1.068 550 A CA 0.883 52.840 52.037 -0.135 0.000 0.766 550 A CB -0.043 18.824 19.000 -0.222 0.000 1.003 550 A HN 1.718 nan 8.150 nan 0.000 0.497 551 S N 0.877 116.578 115.700 0.001 0.000 2.562 551 S HA 0.440 4.910 4.470 0.001 0.000 0.281 551 S C 0.668 175.313 174.600 0.075 0.000 1.333 551 S CA 0.443 58.614 58.200 -0.049 0.000 1.052 551 S CB 0.343 63.425 63.200 -0.196 0.000 0.884 551 S HN 1.077 nan 8.310 nan 0.000 0.506 552 T N 0.504 115.050 114.554 -0.013 0.000 2.906 552 T HA 0.486 4.837 4.350 0.001 0.000 0.295 552 T C -2.636 172.022 174.700 -0.069 0.000 1.061 552 T CA -2.153 59.984 62.100 0.062 0.000 1.000 552 T CB 1.741 70.645 68.868 0.060 0.000 1.103 552 T HN 0.097 nan 8.240 nan 0.000 0.486 553 P HA -0.192 nan 4.420 nan 0.000 0.214 553 P C 2.007 179.064 177.300 -0.406 0.000 1.163 553 P CA 1.999 64.958 63.100 -0.235 0.000 0.889 553 P CB -0.038 31.478 31.700 -0.307 0.000 0.790 554 S N -0.469 114.964 115.700 -0.444 0.000 2.343 554 S HA -0.259 4.212 4.470 0.001 0.000 0.219 554 S C 2.073 175.865 174.600 -1.348 0.000 1.033 554 S CA 1.203 58.897 58.200 -0.843 0.000 1.014 554 S CB -1.655 61.092 63.200 -0.755 0.000 0.915 554 S HN 0.174 nan 8.310 nan 0.000 0.435 555 Q N 0.670 119.871 119.800 -0.998 0.000 2.152 555 Q HA -0.107 4.233 4.340 0.001 0.000 0.206 555 Q C 2.421 178.265 176.000 -0.260 0.000 0.985 555 Q CA 1.909 57.384 55.803 -0.547 0.000 0.863 555 Q CB -0.752 27.917 28.738 -0.116 0.000 0.904 555 Q HN 0.657 nan 8.270 nan 0.000 0.422 556 T N 0.815 115.222 114.554 -0.244 0.000 2.674 556 T HA -0.152 4.198 4.350 0.001 0.000 0.265 556 T C 1.927 176.534 174.700 -0.155 0.000 1.039 556 T CA 1.291 63.352 62.100 -0.065 0.000 1.150 556 T CB -0.349 68.409 68.868 -0.183 0.000 0.864 556 T HN 0.432 nan 8.240 nan 0.000 0.427 557 A N 0.821 123.461 122.820 -0.300 0.000 1.978 557 A HA -0.123 4.198 4.320 0.001 0.000 0.220 557 A C 2.107 179.606 177.584 -0.142 0.000 1.170 557 A CA 1.300 53.189 52.037 -0.247 0.000 0.636 557 A CB -0.836 17.988 19.000 -0.294 0.000 0.810 557 A HN 0.587 nan 8.150 nan 0.000 0.448 558 W N -0.626 120.529 121.300 -0.241 0.000 2.408 558 W HA 0.070 4.731 4.660 0.001 0.000 0.311 558 W C 2.830 179.170 176.519 -0.297 0.000 1.190 558 W CA 0.579 57.764 57.345 -0.268 0.000 1.321 558 W CB -1.380 27.927 29.460 -0.255 0.000 1.143 558 W HN 0.408 nan 8.180 nan 0.000 0.501 559 A N 0.129 122.833 122.820 -0.193 0.000 1.978 559 A HA -0.164 4.156 4.320 0.001 0.000 0.220 559 A C 2.043 179.281 177.584 -0.576 0.000 1.170 559 A CA 1.511 53.194 52.037 -0.590 0.000 0.636 559 A CB -0.910 17.203 19.000 -1.478 0.000 0.810 559 A HN 0.174 nan 8.150 nan 0.000 0.448 560 L N -0.673 120.297 121.223 -0.422 0.000 2.083 560 L HA -0.100 4.240 4.340 0.001 0.000 0.209 560 L C 2.555 179.357 176.870 -0.114 0.000 1.083 560 L CA 1.817 56.518 54.840 -0.231 0.000 0.752 560 L CB -0.505 41.484 42.059 -0.118 0.000 0.899 560 L HN 0.434 nan 8.230 nan 0.000 0.433 561 M N -1.980 117.574 119.600 -0.076 0.000 2.200 561 M HA -0.115 4.365 4.480 0.001 0.000 0.265 561 M C 2.257 178.532 176.300 -0.042 0.000 1.066 561 M CA 1.433 56.721 55.300 -0.021 0.000 1.127 561 M CB -0.502 32.112 32.600 0.023 0.000 1.379 561 M HN 0.319 nan 8.290 nan 0.000 0.420 562 A N 0.726 123.498 122.820 -0.081 0.000 1.933 562 A HA -0.109 4.212 4.320 0.001 0.000 0.218 562 A C 2.099 179.654 177.584 -0.048 0.000 1.175 562 A CA 1.363 53.358 52.037 -0.069 0.000 0.628 562 A CB -0.790 18.163 19.000 -0.077 0.000 0.814 562 A HN 0.444 nan 8.150 nan 0.000 0.444 563 L N -0.752 120.431 121.223 -0.066 0.000 2.068 563 L HA -0.081 4.259 4.340 0.001 0.000 0.204 563 L C 2.455 179.338 176.870 0.022 0.000 1.076 563 L CA 1.024 55.855 54.840 -0.016 0.000 0.753 563 L CB -0.533 41.518 42.059 -0.014 0.000 0.910 563 L HN 0.330 nan 8.230 nan 0.000 0.439 564 I N 0.282 120.871 120.570 0.032 0.000 2.264 564 I HA -0.307 3.864 4.170 0.001 0.000 0.248 564 I C 2.805 178.941 176.117 0.032 0.000 1.111 564 I CA 1.226 62.564 61.300 0.063 0.000 1.382 564 I CB -0.494 37.556 38.000 0.083 0.000 1.060 564 I HN 0.227 nan 8.210 nan 0.000 0.418 565 A N 0.875 123.701 122.820 0.009 0.000 1.898 565 A HA -0.081 4.240 4.320 0.001 0.000 0.216 565 A C 2.298 179.878 177.584 -0.007 0.000 1.181 565 A CA 1.694 53.728 52.037 -0.006 0.000 0.620 565 A CB -1.271 17.713 19.000 -0.027 0.000 0.819 565 A HN 0.455 nan 8.150 nan 0.000 0.442 566 G N -1.989 106.809 108.800 -0.004 0.000 3.061 566 G HA2 0.344 4.304 3.960 0.001 0.000 0.208 566 G HA3 0.344 4.304 3.960 0.001 0.000 0.208 566 G C 1.215 176.122 174.900 0.012 0.000 1.175 566 G CA 0.660 45.759 45.100 -0.002 0.000 0.812 566 G HN 1.644 nan 8.290 nan 0.000 0.523 567 G N 0.392 109.203 108.800 0.019 0.000 2.267 567 G HA2 -0.322 3.639 3.960 0.001 0.000 0.257 567 G HA3 -0.322 3.639 3.960 0.001 0.000 0.257 567 G C 1.160 176.085 174.900 0.041 0.000 0.998 567 G CA 0.323 45.439 45.100 0.026 0.000 0.620 567 G HN 0.557 nan 8.290 nan 0.000 0.529 568 R N 0.894 121.423 120.500 0.049 0.000 2.386 568 R HA 0.435 4.776 4.340 0.001 0.000 0.216 568 R C 2.528 178.888 176.300 0.099 0.000 1.119 568 R CA 0.588 56.728 56.100 0.068 0.000 1.158 568 R CB -0.242 30.098 30.300 0.066 0.000 1.057 568 R HN 0.517 nan 8.270 nan 0.000 0.489 569 A N 1.435 124.318 122.820 0.105 0.000 1.902 569 A HA -0.192 4.129 4.320 0.001 0.000 0.217 569 A C 1.421 179.144 177.584 0.231 0.000 1.181 569 A CA 0.989 53.133 52.037 0.179 0.000 0.623 569 A CB -0.081 18.991 19.000 0.120 0.000 0.818 569 A HN 0.370 nan 8.150 nan 0.000 0.443 570 E N 0.423 120.703 120.200 0.133 0.000 2.122 570 E HA 0.354 4.705 4.350 0.001 0.000 0.288 570 E C -0.275 176.396 176.600 0.119 0.000 1.260 570 E CA -0.191 56.284 56.400 0.125 0.000 1.344 570 E CB -0.155 29.583 29.700 0.064 0.000 1.337 570 E HN 0.397 nan 8.360 nan 0.000 0.484 571 S N 1.127 116.914 115.700 0.146 0.000 2.740 571 S HA 0.221 4.692 4.470 0.001 0.000 0.300 571 S C 0.642 175.311 174.600 0.116 0.000 1.147 571 S CA -0.610 57.659 58.200 0.115 0.000 0.871 571 S CB 1.600 64.866 63.200 0.110 0.000 1.173 571 S HN 0.385 nan 8.310 nan 0.000 0.510 572 E N 1.405 121.659 120.200 0.090 0.000 2.005 572 E HA 0.158 4.508 4.350 0.001 0.000 0.191 572 E C 2.073 178.718 176.600 0.076 0.000 0.987 572 E CA 2.111 58.554 56.400 0.072 0.000 0.814 572 E CB -0.923 28.805 29.700 0.047 0.000 0.772 572 E HN 0.670 nan 8.360 nan 0.000 0.453 573 A N 1.010 123.883 122.820 0.088 0.000 1.958 573 A HA -0.214 4.107 4.320 0.001 0.000 0.221 573 A C 2.398 180.106 177.584 0.208 0.000 1.178 573 A CA 2.647 54.755 52.037 0.118 0.000 0.642 573 A CB -1.182 17.942 19.000 0.205 0.000 0.816 573 A HN 0.403 nan 8.150 nan 0.000 0.453 574 A N -0.507 122.428 122.820 0.191 0.000 1.845 574 A HA -0.158 4.162 4.320 0.001 0.000 0.215 574 A C 2.264 179.876 177.584 0.047 0.000 1.195 574 A CA 1.815 53.948 52.037 0.160 0.000 0.616 574 A CB -0.542 18.559 19.000 0.169 0.000 0.832 574 A HN 0.551 nan 8.150 nan 0.000 0.443 575 R N -0.900 119.645 120.500 0.075 0.000 2.081 575 R HA -0.115 4.225 4.340 0.001 0.000 0.235 575 R C 2.442 178.756 176.300 0.022 0.000 1.131 575 R CA 1.161 57.289 56.100 0.047 0.000 0.960 575 R CB -0.211 30.173 30.300 0.141 0.000 0.856 575 R HN 0.386 nan 8.270 nan 0.000 0.436 576 R N -0.355 120.164 120.500 0.032 0.000 2.094 576 R HA -0.130 4.211 4.340 0.001 0.000 0.239 576 R C 2.269 178.572 176.300 0.005 0.000 1.137 576 R CA 1.776 57.878 56.100 0.003 0.000 0.943 576 R CB -1.047 29.224 30.300 -0.048 0.000 0.850 576 R HN 0.447 nan 8.270 nan 0.000 0.433 577 G N 0.477 109.286 108.800 0.015 0.000 2.418 577 G HA2 -0.207 3.753 3.960 0.001 0.000 0.217 577 G HA3 -0.207 3.753 3.960 0.001 0.000 0.217 577 G C 1.590 176.542 174.900 0.087 0.000 1.158 577 G CA 0.965 46.115 45.100 0.084 0.000 0.771 577 G HN 0.189 nan 8.290 nan 0.000 0.545 578 V N 0.615 120.506 119.914 -0.037 0.000 2.392 578 V HA -0.265 3.855 4.120 0.001 0.000 0.249 578 V C 2.765 178.897 176.094 0.064 0.000 1.059 578 V CA 2.286 64.523 62.300 -0.105 0.000 1.051 578 V CB -0.584 30.995 31.823 -0.406 0.000 0.658 578 V HN 0.392 nan 8.190 nan 0.000 0.455 579 Q N -0.266 119.582 119.800 0.080 0.000 2.030 579 Q HA -0.257 4.083 4.340 0.001 0.000 0.204 579 Q C 2.094 178.182 176.000 0.146 0.000 0.986 579 Q CA 2.314 58.182 55.803 0.108 0.000 0.843 579 Q CB -0.777 28.008 28.738 0.078 0.000 0.904 579 Q HN 0.711 nan 8.270 nan 0.000 0.420 580 Y N 0.322 120.641 120.300 0.031 0.000 2.069 580 Y HA -0.293 4.258 4.550 0.001 0.000 0.278 580 Y C 1.745 177.723 175.900 0.130 0.000 1.175 580 Y CA 2.199 60.328 58.100 0.049 0.000 1.134 580 Y CB -0.436 38.028 38.460 0.006 0.000 0.965 580 Y HN 0.185 nan 8.280 nan 0.000 0.498 581 L N -1.242 120.250 121.223 0.449 0.000 2.046 581 L HA -0.237 4.103 4.340 0.001 0.000 0.208 581 L C 2.381 179.557 176.870 0.508 0.000 1.077 581 L CA 1.327 56.453 54.840 0.476 0.000 0.747 581 L CB -0.953 41.260 42.059 0.258 0.000 0.896 581 L HN 0.138 nan 8.230 nan 0.000 0.432 582 V N -0.089 120.008 119.914 0.305 0.000 2.343 582 V HA -0.256 3.865 4.120 0.001 0.000 0.247 582 V C 2.375 178.523 176.094 0.091 0.000 1.051 582 V CA 1.819 64.246 62.300 0.213 0.000 1.036 582 V CB -0.506 31.421 31.823 0.173 0.000 0.654 582 V HN 0.475 nan 8.190 nan 0.000 0.451 583 E N 0.552 120.780 120.200 0.046 0.000 2.033 583 E HA -0.157 4.194 4.350 0.001 0.000 0.189 583 E C 2.322 178.868 176.600 -0.091 0.000 0.979 583 E CA 1.684 58.059 56.400 -0.042 0.000 0.802 583 E CB -0.469 29.188 29.700 -0.072 0.000 0.763 583 E HN 0.763 nan 8.360 nan 0.000 0.449 584 T N -0.400 114.080 114.554 -0.123 0.000 2.946 584 T HA -0.216 4.134 4.350 0.001 0.000 0.271 584 T C 1.131 175.784 174.700 -0.080 0.000 1.104 584 T CA 0.475 62.506 62.100 -0.116 0.000 1.114 584 T CB -0.190 68.536 68.868 -0.238 0.000 0.867 584 T HN 0.058 nan 8.240 nan 0.000 0.513 585 Q N 1.200 120.876 119.800 -0.206 0.000 2.428 585 Q HA 0.089 4.430 4.340 0.001 0.000 0.276 585 Q C -0.084 175.599 176.000 -0.529 0.000 1.059 585 Q CA -0.154 55.131 55.803 -0.863 0.000 0.923 585 Q CB 0.520 28.695 28.738 -0.938 0.000 1.283 585 Q HN 0.483 nan 8.270 nan 0.000 0.447 586 R N 2.870 123.022 120.500 -0.580 0.000 2.553 586 R HA 0.185 4.525 4.340 0.001 0.000 0.263 586 R C -1.710 174.393 176.300 -0.328 0.000 1.066 586 R CA -1.769 54.117 56.100 -0.356 0.000 1.135 586 R CB 0.173 30.287 30.300 -0.309 0.000 1.148 586 R HN 0.555 nan 8.270 nan 0.000 0.558 587 P HA -0.157 nan 4.420 nan 0.000 0.219 587 P C 0.106 177.287 177.300 -0.198 0.000 1.146 587 P CA 1.268 64.259 63.100 -0.182 0.000 0.808 587 P CB 0.115 31.738 31.700 -0.128 0.000 0.779 588 D N -2.346 117.899 120.400 -0.258 0.000 2.340 588 D HA 0.101 4.742 4.640 0.001 0.000 0.220 588 D C 1.428 177.496 176.300 -0.387 0.000 1.039 588 D CA 0.654 54.491 54.000 -0.272 0.000 0.866 588 D CB -0.853 39.772 40.800 -0.291 0.000 0.913 588 D HN 0.196 nan 8.370 nan 0.000 0.523 589 G N -1.056 107.480 108.800 -0.441 0.000 2.195 589 G HA2 -0.184 3.776 3.960 0.001 0.000 0.246 589 G HA3 -0.184 3.776 3.960 0.001 0.000 0.246 589 G C 0.742 175.272 174.900 -0.616 0.000 0.984 589 G CA 0.121 44.959 45.100 -0.437 0.000 0.633 589 G HN 0.789 nan 8.290 nan 0.000 0.525 590 G N -1.637 106.639 108.800 -0.874 0.000 2.546 590 G HA2 0.489 4.449 3.960 0.001 0.000 0.239 590 G HA3 0.489 4.449 3.960 0.001 0.000 0.239 590 G C -0.263 174.505 174.900 -0.221 0.000 1.476 590 G CA -0.019 44.759 45.100 -0.537 0.000 1.064 590 G HN 0.493 nan 8.290 nan 0.000 0.561 591 W N -1.407 119.982 121.300 0.148 0.000 3.419 591 W HA 0.287 4.947 4.660 0.001 0.000 0.298 591 W C -1.470 175.064 176.519 0.025 0.000 1.260 591 W CA -0.583 56.794 57.345 0.053 0.000 1.199 591 W CB 1.841 31.331 29.460 0.049 0.000 1.349 591 W HN 0.388 nan 8.180 nan 0.000 0.557 592 D N 1.362 121.919 120.400 0.261 0.000 2.268 592 D HA 0.360 5.001 4.640 0.001 0.000 0.249 592 D C -0.805 175.582 176.300 0.145 0.000 1.008 592 D CA -0.141 53.950 54.000 0.151 0.000 0.939 592 D CB 2.289 43.145 40.800 0.093 0.000 1.170 592 D HN 0.305 nan 8.370 nan 0.000 0.468 593 E N 1.366 121.621 120.200 0.091 0.000 2.712 593 E HA 0.120 4.471 4.350 0.001 0.000 0.372 593 E C -2.196 174.430 176.600 0.043 0.000 1.058 593 E CA -1.062 55.397 56.400 0.098 0.000 0.747 593 E CB 1.447 31.207 29.700 0.100 0.000 1.596 593 E HN 0.114 nan 8.360 nan 0.000 0.380 594 P HA -0.010 nan 4.420 nan 0.000 0.242 594 P C -0.507 176.555 177.300 -0.396 0.000 1.197 594 P CA 0.426 63.354 63.100 -0.287 0.000 0.765 594 P CB -0.050 31.373 31.700 -0.462 0.000 0.936 595 Y N -1.247 119.140 120.300 0.146 0.000 2.650 595 Y HA 0.446 4.997 4.550 0.001 0.000 0.331 595 Y C 0.549 176.655 175.900 0.344 0.000 1.082 595 Y CA -1.248 56.954 58.100 0.170 0.000 1.171 595 Y CB 0.430 38.959 38.460 0.115 0.000 1.326 595 Y HN -0.251 nan 8.280 nan 0.000 0.513 596 Y N 0.242 120.699 120.300 0.263 0.000 2.323 596 Y HA 0.305 4.855 4.550 0.001 0.000 0.331 596 Y C 0.943 176.939 175.900 0.160 0.000 1.092 596 Y CA -1.324 56.879 58.100 0.172 0.000 1.150 596 Y CB 1.477 40.023 38.460 0.143 0.000 1.200 596 Y HN 0.649 nan 8.280 nan 0.000 0.472 597 T N -1.598 113.143 114.554 0.312 0.000 3.111 597 T HA 0.405 4.755 4.350 0.001 0.000 0.284 597 T C 0.482 175.393 174.700 0.352 0.000 0.983 597 T CA -0.046 62.254 62.100 0.333 0.000 0.900 597 T CB -0.052 69.002 68.868 0.311 0.000 1.132 597 T HN 0.669 nan 8.240 nan 0.000 0.531 598 G N 0.318 109.284 108.800 0.276 0.000 2.420 598 G HA2 0.576 4.537 3.960 0.001 0.000 0.331 598 G HA3 0.576 4.537 3.960 0.001 0.000 0.331 598 G C -1.145 173.886 174.900 0.218 0.000 1.168 598 G CA -0.555 44.715 45.100 0.284 0.000 0.936 598 G HN 0.187 nan 8.290 nan 0.000 0.479 599 T N 0.530 115.159 114.554 0.125 0.000 2.848 599 T HA 0.525 4.875 4.350 0.001 0.000 0.285 599 T C 1.113 175.701 174.700 -0.187 0.000 0.995 599 T CA 0.237 62.308 62.100 -0.048 0.000 0.970 599 T CB 1.845 70.602 68.868 -0.186 0.000 0.976 599 T HN 0.626 nan 8.240 nan 0.000 0.441 600 G N 1.687 110.282 108.800 -0.342 0.000 2.497 600 G HA2 0.320 4.281 3.960 0.001 0.000 0.210 600 G HA3 0.320 4.281 3.960 0.001 0.000 0.210 600 G C -0.324 173.913 174.900 -1.106 0.000 1.177 600 G CA 0.303 45.089 45.100 -0.524 0.000 0.822 600 G HN 0.539 nan 8.290 nan 0.000 0.550 601 F N 0.037 119.699 119.950 -0.481 0.000 2.588 601 F HA 0.459 4.987 4.527 0.001 0.000 0.314 601 F C -2.629 172.744 175.800 -0.711 0.000 1.134 601 F CA -2.808 54.851 58.000 -0.569 0.000 0.961 601 F CB 2.150 40.860 39.000 -0.484 0.000 1.239 601 F HN -0.207 nan 8.300 nan 0.000 0.448 602 P HA 0.191 nan 4.420 nan 0.000 0.263 602 P C 0.763 177.877 177.300 -0.310 0.000 1.195 602 P CA 1.242 63.996 63.100 -0.576 0.000 0.762 602 P CB 0.552 32.218 31.700 -0.058 0.000 0.799 603 G N 3.159 111.823 108.800 -0.227 0.000 2.220 603 G HA2 -0.278 3.683 3.960 0.001 0.000 0.269 603 G HA3 -0.278 3.683 3.960 0.001 0.000 0.269 603 G C 0.787 175.680 174.900 -0.012 0.000 0.977 603 G CA 0.473 45.634 45.100 0.101 0.000 0.634 603 G HN 0.499 nan 8.290 nan 0.000 0.539 604 D N -1.867 118.360 120.400 -0.288 0.000 2.461 604 D HA 0.293 4.934 4.640 0.001 0.000 0.266 604 D C -0.244 176.021 176.300 -0.059 0.000 1.085 604 D CA 0.230 54.099 54.000 -0.218 0.000 0.887 604 D CB 0.671 41.120 40.800 -0.586 0.000 1.309 604 D HN 0.239 nan 8.370 nan 0.000 0.498 605 F N 1.237 120.883 119.950 -0.506 0.000 2.653 605 F HA 0.331 4.859 4.527 0.001 0.000 0.327 605 F C -1.692 173.777 175.800 -0.551 0.000 1.195 605 F CA -0.823 57.015 58.000 -0.269 0.000 0.993 605 F CB 0.955 39.946 39.000 -0.015 0.000 1.259 605 F HN -0.308 nan 8.300 nan 0.000 0.478 606 Y N 5.424 125.585 120.300 -0.232 0.000 2.429 606 Y HA 0.752 5.302 4.550 0.001 0.000 0.342 606 Y C -0.598 175.184 175.900 -0.198 0.000 1.004 606 Y CA -1.020 57.013 58.100 -0.113 0.000 1.075 606 Y CB 1.738 40.257 38.460 0.099 0.000 1.214 606 Y HN 0.359 nan 8.280 nan 0.000 0.455 607 L N 1.494 122.663 121.223 -0.090 0.000 2.341 607 L HA 0.862 5.203 4.340 0.001 0.000 0.267 607 L C 0.165 176.594 176.870 -0.736 0.000 1.009 607 L CA -1.182 53.383 54.840 -0.458 0.000 0.819 607 L CB 2.226 44.068 42.059 -0.363 0.000 1.323 607 L HN 0.830 nan 8.230 nan 0.000 0.425 608 G N 0.461 108.606 108.800 -1.091 0.000 2.533 608 G HA2 0.511 4.471 3.960 0.001 0.000 0.310 608 G HA3 0.511 4.471 3.960 0.001 0.000 0.310 608 G C -1.450 173.180 174.900 -0.451 0.000 1.266 608 G CA -0.201 44.416 45.100 -0.806 0.000 0.967 608 G HN 0.304 nan 8.290 nan 0.000 0.493 609 Y N 2.522 122.560 120.300 -0.435 0.000 2.504 609 Y HA 0.187 4.737 4.550 0.001 0.000 0.351 609 Y C 2.080 177.858 175.900 -0.204 0.000 0.988 609 Y CA -0.269 57.573 58.100 -0.429 0.000 1.239 609 Y CB 1.230 39.009 38.460 -1.134 0.000 1.128 609 Y HN 0.552 nan 8.280 nan 0.000 0.525 610 T N 2.470 117.030 114.554 0.010 0.000 2.685 610 T HA -0.215 4.136 4.350 0.001 0.000 0.268 610 T C 2.020 176.810 174.700 0.150 0.000 1.034 610 T CA 1.473 63.613 62.100 0.066 0.000 1.149 610 T CB -0.058 68.837 68.868 0.044 0.000 0.860 610 T HN 0.541 nan 8.240 nan 0.000 0.449 611 M N -0.223 119.517 119.600 0.233 0.000 2.200 611 M HA 0.029 4.509 4.480 0.001 0.000 0.265 611 M C 1.975 178.437 176.300 0.270 0.000 1.066 611 M CA 1.106 56.574 55.300 0.280 0.000 1.127 611 M CB -1.225 31.506 32.600 0.218 0.000 1.379 611 M HN 0.236 nan 8.290 nan 0.000 0.420 612 Y N 1.651 122.024 120.300 0.121 0.000 2.096 612 Y HA -0.309 4.241 4.550 0.001 0.000 0.276 612 Y C 2.580 178.508 175.900 0.047 0.000 1.209 612 Y CA 2.109 60.330 58.100 0.201 0.000 1.137 612 Y CB -1.331 37.337 38.460 0.348 0.000 0.956 612 Y HN 0.408 nan 8.280 nan 0.000 0.506 613 R N -0.652 119.892 120.500 0.074 0.000 2.200 613 R HA -0.162 4.178 4.340 0.001 0.000 0.234 613 R C 1.352 177.574 176.300 -0.129 0.000 1.127 613 R CA 1.882 57.908 56.100 -0.124 0.000 0.989 613 R CB -0.635 29.551 30.300 -0.190 0.000 0.869 613 R HN 0.432 nan 8.270 nan 0.000 0.459 614 H N 0.232 119.419 119.070 0.196 0.000 2.368 614 H HA 0.132 4.688 4.556 0.001 0.000 0.311 614 H C 2.459 177.816 175.328 0.048 0.000 1.042 614 H CA 0.998 57.200 56.048 0.258 0.000 1.377 614 H CB -0.299 29.642 29.762 0.299 0.000 1.473 614 H HN -0.001 nan 8.280 nan 0.000 0.593 615 V N 1.464 121.387 119.914 0.015 0.000 2.255 615 V HA -0.248 3.872 4.120 0.001 0.000 0.247 615 V C 2.372 178.264 176.094 -0.335 0.000 1.051 615 V CA 1.903 64.039 62.300 -0.274 0.000 1.018 615 V CB -0.896 30.611 31.823 -0.527 0.000 0.641 615 V HN 0.104 nan 8.190 nan 0.000 0.445 616 F N 0.061 119.881 119.950 -0.216 0.000 2.171 616 F HA -0.020 4.508 4.527 0.001 0.000 0.300 616 F C 0.094 175.718 175.800 -0.293 0.000 1.090 616 F CA 1.374 59.223 58.000 -0.253 0.000 1.293 616 F CB -2.156 36.650 39.000 -0.325 0.000 1.013 616 F HN 0.283 nan 8.300 nan 0.000 0.486 617 P HA -0.097 nan 4.420 nan 0.000 0.217 617 P C 1.631 178.789 177.300 -0.237 0.000 1.150 617 P CA 1.948 64.765 63.100 -0.472 0.000 0.832 617 P CB -0.164 30.782 31.700 -1.257 0.000 0.787 618 T N -0.140 114.348 114.554 -0.110 0.000 2.777 618 T HA -0.131 4.220 4.350 0.001 0.000 0.266 618 T C 1.679 176.357 174.700 -0.037 0.000 1.040 618 T CA 0.945 63.052 62.100 0.011 0.000 1.141 618 T CB -0.903 67.979 68.868 0.023 0.000 0.868 618 T HN 0.007 nan 8.240 nan 0.000 0.444 619 L N 1.311 122.484 121.223 -0.083 0.000 2.046 619 L HA 0.062 4.402 4.340 0.001 0.000 0.208 619 L C 2.596 179.459 176.870 -0.012 0.000 1.077 619 L CA 1.853 56.652 54.840 -0.069 0.000 0.747 619 L CB -0.881 41.130 42.059 -0.080 0.000 0.896 619 L HN 0.213 nan 8.230 nan 0.000 0.432 620 A N -0.416 122.400 122.820 -0.007 0.000 1.877 620 A HA -0.163 4.158 4.320 0.001 0.000 0.216 620 A C 2.235 179.820 177.584 0.002 0.000 1.186 620 A CA 1.999 54.033 52.037 -0.004 0.000 0.620 620 A CB -0.945 18.026 19.000 -0.049 0.000 0.822 620 A HN 0.497 nan 8.150 nan 0.000 0.443 621 L N -0.723 120.495 121.223 -0.008 0.000 2.083 621 L HA -0.127 4.214 4.340 0.001 0.000 0.209 621 L C 2.830 179.707 176.870 0.011 0.000 1.083 621 L CA 1.098 55.943 54.840 0.008 0.000 0.752 621 L CB -0.973 41.128 42.059 0.069 0.000 0.899 621 L HN 0.503 nan 8.230 nan 0.000 0.433 622 G N -0.153 108.658 108.800 0.018 0.000 2.422 622 G HA2 -0.234 3.726 3.960 0.001 0.000 0.218 622 G HA3 -0.234 3.726 3.960 0.001 0.000 0.218 622 G C 1.785 176.692 174.900 0.011 0.000 1.146 622 G CA 0.393 45.501 45.100 0.014 0.000 0.769 622 G HN 0.294 nan 8.290 nan 0.000 0.547 623 R N -1.437 119.077 120.500 0.024 0.000 2.153 623 R HA 0.044 4.385 4.340 0.001 0.000 0.218 623 R C 2.176 178.504 176.300 0.047 0.000 1.072 623 R CA 0.624 56.744 56.100 0.034 0.000 0.990 623 R CB -0.298 30.030 30.300 0.047 0.000 0.889 623 R HN 0.477 nan 8.270 nan 0.000 0.452 624 Y N 1.840 122.074 120.300 -0.110 0.000 2.184 624 Y HA -0.138 4.412 4.550 0.001 0.000 0.290 624 Y C 2.123 177.910 175.900 -0.188 0.000 1.129 624 Y CA 1.357 59.364 58.100 -0.156 0.000 1.144 624 Y CB -0.041 38.275 38.460 -0.240 0.000 0.995 624 Y HN -0.217 nan 8.280 nan 0.000 0.513 625 K N -0.212 120.056 120.400 -0.220 0.000 2.442 625 K HA -0.169 4.151 4.320 0.001 0.000 0.198 625 K C 1.747 178.295 176.600 -0.086 0.000 1.044 625 K CA 1.019 57.192 56.287 -0.189 0.000 0.948 625 K CB 0.106 32.590 32.500 -0.027 0.000 0.762 625 K HN 0.395 nan 8.250 nan 0.000 0.472 626 Q N -0.409 119.345 119.800 -0.077 0.000 2.089 626 Q HA 0.016 4.357 4.340 0.001 0.000 0.195 626 Q C 1.958 177.921 176.000 -0.062 0.000 0.963 626 Q CA 1.186 56.966 55.803 -0.039 0.000 0.834 626 Q CB -0.171 28.560 28.738 -0.011 0.000 0.906 626 Q HN 0.351 nan 8.270 nan 0.000 0.452 627 A N -0.113 122.647 122.820 -0.100 0.000 2.259 627 A HA -0.070 4.250 4.320 0.001 0.000 0.212 627 A C 1.410 178.920 177.584 -0.125 0.000 1.178 627 A CA 1.011 52.987 52.037 -0.101 0.000 0.734 627 A CB -0.197 18.741 19.000 -0.104 0.000 0.774 627 A HN 0.251 nan 8.150 nan 0.000 0.481 628 I N -2.928 117.562 120.570 -0.134 0.000 3.620 628 I HA 0.501 4.671 4.170 0.001 0.000 0.255 628 I C 0.845 176.944 176.117 -0.031 0.000 1.124 628 I CA 1.469 62.715 61.300 -0.091 0.000 1.526 628 I CB 0.275 38.199 38.000 -0.127 0.000 1.681 628 I HN 0.275 nan 8.210 nan 0.000 0.420 629 E N 0.000 120.195 120.200 -0.008 0.000 2.725 629 E HA 0.000 4.350 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