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 3m8z_1_C DATA FIRST_RESID 3 DATA SEQUENCE KYKRIFLVVM DSVGIGEAPD AEQFGDLGSD TIGHIAEHMN GLQMPNMVKL DATA SEQUENCE GLGNIREMKG ISKVEKPLGY YTKMQEKSTG KDXMTGHWEI MGLYIDTPFQ DATA SEQUENCE VFPEGFPKEL LDELEEKTGR KIIGNKPASG TEILDELGQE QMETGSLIVY DATA SEQUENCE TSADSVLQIA AHEEVVPLDE LYKICKIARE LTLDEKYMVG RVIARPFVGE DATA SEQUENCE PGNFTRTPNR HDYALKPFGR TVMNELKDSD YDVIAIGKIS DIYDGEGVTE DATA SEQUENCE SLRTKSNMDG MDKLVDTLNM DFTGLSFLNL VDFDALFGHR RDPQGYGEAL DATA SEQUENCE QEYDARLPEV FAKLKEDDLL LITADHGNDP IHPGTDHTRE YVPLLAYSPS DATA SEQUENCE MKEGGQELPL RQTFADIGAT VAENFGVKMP EYGTSFLNEL 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.282 176.600 -0.530 0.000 0.988 3 K CA 0.000 56.052 56.287 -0.392 0.000 0.838 3 K CB 0.000 32.229 32.500 -0.452 0.000 1.064 4 Y N 2.187 122.335 120.300 -0.253 0.000 2.377 4 Y HA 0.323 4.873 4.550 0.001 0.000 0.339 4 Y C 1.021 176.815 175.900 -0.176 0.000 1.011 4 Y CA -0.472 57.507 58.100 -0.202 0.000 1.093 4 Y CB 1.921 40.252 38.460 -0.214 0.000 1.201 4 Y HN -0.013 nan 8.280 nan 0.000 0.455 5 K N 2.315 122.776 120.400 0.102 0.000 2.103 5 K HA 0.096 4.417 4.320 0.001 0.000 0.204 5 K C -0.216 176.496 176.600 0.188 0.000 1.052 5 K CA 1.090 57.460 56.287 0.138 0.000 0.945 5 K CB 0.312 32.840 32.500 0.048 0.000 0.722 5 K HN 0.675 nan 8.250 nan 0.000 0.443 6 R N 0.419 120.964 120.500 0.074 0.000 2.628 6 R HA 0.443 4.783 4.340 0.001 0.000 0.288 6 R C -1.019 175.266 176.300 -0.025 0.000 0.980 6 R CA -0.634 55.413 56.100 -0.087 0.000 0.891 6 R CB 2.032 32.007 30.300 -0.542 0.000 1.188 6 R HN 0.015 nan 8.270 nan 0.000 0.450 7 I N 2.862 123.418 120.570 -0.024 0.000 2.406 7 I HA 0.353 4.523 4.170 0.001 0.000 0.290 7 I C -0.908 175.093 176.117 -0.194 0.000 0.999 7 I CA -0.679 60.585 61.300 -0.059 0.000 1.124 7 I CB 1.297 39.304 38.000 0.012 0.000 1.289 7 I HN 0.397 nan 8.210 nan 0.000 0.441 8 F N 6.950 126.971 119.950 0.118 0.000 2.361 8 F HA 0.409 4.936 4.527 0.000 0.000 0.364 8 F C -0.246 175.615 175.800 0.101 0.000 1.117 8 F CA -0.700 57.391 58.000 0.152 0.000 1.071 8 F CB 1.334 40.437 39.000 0.171 0.000 1.188 8 F HN 0.230 nan 8.300 nan 0.000 0.464 9 L N 5.584 126.925 121.223 0.196 0.000 2.298 9 L HA 0.703 5.043 4.340 0.001 0.000 0.284 9 L C -1.127 175.903 176.870 0.266 0.000 1.013 9 L CA -0.620 54.276 54.840 0.095 0.000 0.824 9 L CB 1.281 43.178 42.059 -0.270 0.000 1.221 9 L HN 0.314 nan 8.230 nan 0.000 0.418 10 V N 6.113 126.176 119.914 0.248 0.000 2.409 10 V HA 0.438 4.558 4.120 0.001 0.000 0.291 10 V C -0.330 175.893 176.094 0.214 0.000 1.020 10 V CA -0.706 61.758 62.300 0.274 0.000 0.848 10 V CB 1.788 33.768 31.823 0.262 0.000 0.990 10 V HN 0.484 nan 8.190 nan 0.000 0.430 11 V N 6.600 126.665 119.914 0.251 0.000 2.318 11 V HA 0.346 4.466 4.120 0.001 0.000 0.271 11 V C 0.324 176.475 176.094 0.097 0.000 1.030 11 V CA -0.323 62.062 62.300 0.143 0.000 0.844 11 V CB 1.239 33.170 31.823 0.179 0.000 1.015 11 V HN 0.851 nan 8.190 nan 0.000 0.460 12 M N 4.445 124.045 119.600 -0.001 0.000 2.341 12 M HA 0.203 4.683 4.480 0.001 0.000 0.336 12 M C 0.234 176.527 176.300 -0.011 0.000 1.489 12 M CA 0.150 55.436 55.300 -0.024 0.000 1.278 12 M CB -0.066 32.338 32.600 -0.327 0.000 1.657 12 M HN 0.520 nan 8.290 nan 0.000 0.455 13 D N 2.883 123.368 120.400 0.142 0.000 2.417 13 D HA 0.010 4.650 4.640 0.001 0.000 0.250 13 D C 0.680 176.924 176.300 -0.093 0.000 1.166 13 D CA 1.002 55.008 54.000 0.010 0.000 0.881 13 D CB 0.719 41.571 40.800 0.088 0.000 1.164 13 D HN 0.936 nan 8.370 nan 0.000 0.467 14 S N 1.192 116.624 115.700 -0.447 0.000 2.857 14 S HA -0.207 4.263 4.470 0.001 0.000 0.268 14 S C 0.246 174.742 174.600 -0.174 0.000 1.297 14 S CA 0.756 58.664 58.200 -0.487 0.000 1.280 14 S CB -2.037 61.053 63.200 -0.184 0.000 1.562 14 S HN 0.280 nan 8.310 nan 0.000 0.661 15 V N 2.887 122.692 119.914 -0.182 0.000 2.157 15 V HA 0.576 4.696 4.120 0.001 0.000 0.241 15 V C 1.452 177.431 176.094 -0.192 0.000 1.349 15 V CA 0.212 62.395 62.300 -0.196 0.000 1.319 15 V CB -0.564 31.046 31.823 -0.355 0.000 1.421 15 V HN 0.718 nan 8.190 nan 0.000 0.501 16 G N 2.440 111.146 108.800 -0.155 0.000 2.537 16 G HA2 0.536 4.496 3.960 0.001 0.000 0.273 16 G HA3 0.536 4.496 3.960 0.001 0.000 0.273 16 G C -0.042 174.797 174.900 -0.101 0.000 1.189 16 G CA -0.494 44.541 45.100 -0.108 0.000 0.881 16 G HN 0.610 nan 8.290 nan 0.000 0.535 17 I N 0.857 121.402 120.570 -0.042 0.000 3.283 17 I HA 0.498 4.668 4.170 0.001 0.000 0.342 17 I C 0.505 176.626 176.117 0.007 0.000 1.510 17 I CA 0.549 61.823 61.300 -0.044 0.000 1.006 17 I CB -0.316 37.653 38.000 -0.050 0.000 1.596 17 I HN 1.004 nan 8.210 nan 0.000 0.509 18 G N 1.963 110.764 108.800 0.001 0.000 2.674 18 G HA2 -0.135 3.825 3.960 0.001 0.000 0.686 18 G HA3 -0.135 3.825 3.960 0.001 0.000 0.686 18 G C -0.495 174.466 174.900 0.101 0.000 1.195 18 G CA -0.401 44.718 45.100 0.031 0.000 0.776 18 G HN 0.596 nan 8.290 nan 0.000 0.654 19 E N 0.904 121.132 120.200 0.046 0.000 2.568 19 E HA 0.414 4.764 4.350 0.001 0.000 0.262 19 E C 0.839 177.394 176.600 -0.075 0.000 0.961 19 E CA 0.250 56.648 56.400 -0.002 0.000 0.945 19 E CB 0.806 30.520 29.700 0.024 0.000 0.924 19 E HN 1.712 nan 8.360 nan 0.000 0.467 20 A N 4.246 126.917 122.820 -0.248 0.000 2.346 20 A HA 0.241 4.561 4.320 0.001 0.000 0.252 20 A C -1.476 175.954 177.584 -0.257 0.000 1.089 20 A CA -1.265 50.461 52.037 -0.519 0.000 0.797 20 A CB -0.026 18.705 19.000 -0.448 0.000 1.047 20 A HN 0.665 nan 8.150 nan 0.000 0.494 21 P HA -0.123 nan 4.420 nan 0.000 0.219 21 P C 0.193 177.486 177.300 -0.012 0.000 1.146 21 P CA 1.689 64.757 63.100 -0.053 0.000 0.808 21 P CB 0.036 31.726 31.700 -0.017 0.000 0.779 22 D N -1.785 118.606 120.400 -0.016 0.000 2.427 22 D HA 0.183 4.823 4.640 0.001 0.000 0.224 22 D C 1.340 177.747 176.300 0.179 0.000 1.157 22 D CA -0.300 53.753 54.000 0.088 0.000 0.828 22 D CB -0.713 40.172 40.800 0.142 0.000 0.974 22 D HN 0.002 nan 8.370 nan 0.000 0.498 23 A N 0.760 123.630 122.820 0.083 0.000 2.019 23 A HA -0.213 4.108 4.320 0.001 0.000 0.219 23 A C 2.080 179.766 177.584 0.170 0.000 1.164 23 A CA 1.129 53.232 52.037 0.110 0.000 0.644 23 A CB -0.487 18.531 19.000 0.029 0.000 0.805 23 A HN 0.239 nan 8.150 nan 0.000 0.449 24 E N 0.236 120.509 120.200 0.121 0.000 2.085 24 E HA -0.250 4.100 4.350 0.001 0.000 0.194 24 E C 2.047 178.694 176.600 0.079 0.000 0.994 24 E CA 1.676 58.131 56.400 0.091 0.000 0.801 24 E CB -0.239 29.496 29.700 0.059 0.000 0.743 24 E HN 0.794 nan 8.360 nan 0.000 0.453 25 Q N -1.147 118.698 119.800 0.074 0.000 2.170 25 Q HA -0.118 4.223 4.340 0.001 0.000 0.203 25 Q C 1.613 177.507 176.000 -0.176 0.000 0.976 25 Q CA 1.267 57.028 55.803 -0.069 0.000 0.858 25 Q CB -0.092 28.561 28.738 -0.141 0.000 0.907 25 Q HN 0.274 nan 8.270 nan 0.000 0.433 26 F N -0.917 119.030 119.950 -0.004 0.000 2.693 26 F HA 0.251 4.778 4.527 0.001 0.000 0.303 26 F C 1.253 177.069 175.800 0.026 0.000 1.097 26 F CA 0.286 58.285 58.000 -0.001 0.000 1.330 26 F CB 0.709 39.702 39.000 -0.011 0.000 1.067 26 F HN 0.062 nan 8.300 nan 0.000 0.565 27 G N 0.837 109.737 108.800 0.167 0.000 2.246 27 G HA2 -0.278 3.682 3.960 0.001 0.000 0.273 27 G HA3 -0.278 3.682 3.960 0.001 0.000 0.273 27 G C 0.224 175.262 174.900 0.230 0.000 1.055 27 G CA 0.492 45.683 45.100 0.152 0.000 0.851 27 G HN 0.374 nan 8.290 nan 0.000 0.500 28 D N -0.304 120.222 120.400 0.210 0.000 2.479 28 D HA 0.164 4.805 4.640 0.001 0.000 0.218 28 D C 1.596 178.002 176.300 0.178 0.000 1.177 28 D CA -0.335 53.779 54.000 0.189 0.000 0.830 28 D CB 0.263 41.083 40.800 0.033 0.000 1.014 28 D HN 0.493 nan 8.370 nan 0.000 0.503 29 L N 0.383 121.704 121.223 0.164 0.000 2.593 29 L HA 0.047 4.387 4.340 0.001 0.000 0.287 29 L C 1.774 178.744 176.870 0.167 0.000 1.243 29 L CA 1.131 56.050 54.840 0.131 0.000 0.890 29 L CB 0.157 42.276 42.059 0.100 0.000 1.134 29 L HN 0.325 nan 8.230 nan 0.000 0.502 30 G N 1.459 110.343 108.800 0.140 0.000 2.205 30 G HA2 -0.313 3.648 3.960 0.001 0.000 0.261 30 G HA3 -0.313 3.648 3.960 0.001 0.000 0.261 30 G C 0.346 175.391 174.900 0.242 0.000 0.980 30 G CA 0.288 45.494 45.100 0.177 0.000 0.632 30 G HN 0.850 nan 8.290 nan 0.000 0.533 31 S N -0.038 115.770 115.700 0.181 0.000 2.562 31 S HA 0.488 4.958 4.470 0.001 0.000 0.281 31 S C -0.276 174.319 174.600 -0.008 0.000 1.333 31 S CA 0.569 58.840 58.200 0.118 0.000 1.052 31 S CB 2.060 65.221 63.200 -0.066 0.000 0.884 31 S HN 0.709 nan 8.310 nan 0.000 0.506 32 D N 1.448 121.782 120.400 -0.111 0.000 2.491 32 D HA 0.213 4.853 4.640 0.001 0.000 0.232 32 D C 0.713 176.840 176.300 -0.288 0.000 1.334 32 D CA -0.367 53.445 54.000 -0.313 0.000 0.909 32 D CB 0.503 40.930 40.800 -0.622 0.000 1.513 32 D HN 0.463 nan 8.370 nan 0.000 0.514 33 T N 2.140 116.591 114.554 -0.171 0.000 2.614 33 T HA -0.076 4.274 4.350 0.001 0.000 0.263 33 T C 2.084 176.621 174.700 -0.273 0.000 1.055 33 T CA 1.239 63.222 62.100 -0.195 0.000 1.162 33 T CB -0.053 68.700 68.868 -0.191 0.000 0.863 33 T HN 0.469 nan 8.240 nan 0.000 0.414 34 I N 1.170 121.587 120.570 -0.255 0.000 2.252 34 I HA -0.068 4.103 4.170 0.001 0.000 0.245 34 I C 2.925 178.934 176.117 -0.179 0.000 1.102 34 I CA 1.227 62.384 61.300 -0.238 0.000 1.385 34 I CB -0.835 37.052 38.000 -0.188 0.000 1.064 34 I HN 0.329 nan 8.210 nan 0.000 0.414 35 G N -0.040 108.644 108.800 -0.192 0.000 2.440 35 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 35 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 35 G C 1.433 176.276 174.900 -0.094 0.000 1.154 35 G CA 0.940 45.936 45.100 -0.174 0.000 0.767 35 G HN 0.477 nan 8.290 nan 0.000 0.552 36 H N -0.404 118.631 119.070 -0.059 0.000 2.470 36 H HA 0.191 4.748 4.556 0.001 0.000 0.289 36 H C 2.540 177.849 175.328 -0.031 0.000 1.033 36 H CA 0.241 56.270 56.048 -0.031 0.000 1.331 36 H CB 0.198 29.947 29.762 -0.021 0.000 1.414 36 H HN 0.313 nan 8.280 nan 0.000 0.545 37 I N 0.622 121.195 120.570 0.005 0.000 2.315 37 I HA -0.212 3.958 4.170 0.001 0.000 0.248 37 I C 2.658 178.794 176.117 0.032 0.000 1.117 37 I CA 0.796 62.075 61.300 -0.035 0.000 1.404 37 I CB -0.153 37.716 38.000 -0.219 0.000 1.071 37 I HN 0.292 nan 8.210 nan 0.000 0.419 38 A N 0.546 123.363 122.820 -0.005 0.000 1.873 38 A HA -0.208 4.112 4.320 0.001 0.000 0.215 38 A C 2.222 179.823 177.584 0.028 0.000 1.186 38 A CA 1.564 53.600 52.037 -0.001 0.000 0.616 38 A CB -0.565 18.416 19.000 -0.032 0.000 0.823 38 A HN 0.405 nan 8.150 nan 0.000 0.442 39 E N -1.375 118.860 120.200 0.059 0.000 2.085 39 E HA -0.277 4.074 4.350 0.001 0.000 0.194 39 E C 1.953 178.593 176.600 0.067 0.000 0.994 39 E CA 1.592 58.034 56.400 0.069 0.000 0.801 39 E CB -0.305 29.466 29.700 0.118 0.000 0.743 39 E HN 0.872 nan 8.360 nan 0.000 0.453 40 H N 0.230 119.308 119.070 0.014 0.000 2.321 40 H HA -0.057 4.499 4.556 0.001 0.000 0.300 40 H C 1.795 177.123 175.328 0.001 0.000 1.087 40 H CA 1.624 57.676 56.048 0.007 0.000 1.319 40 H CB 0.130 29.898 29.762 0.009 0.000 1.379 40 H HN 0.027 nan 8.280 nan 0.000 0.501 41 M N 0.219 119.826 119.600 0.011 0.000 2.630 41 M HA -0.042 4.439 4.480 0.001 0.000 0.254 41 M C 0.777 177.036 176.300 -0.067 0.000 1.092 41 M CA 0.655 55.931 55.300 -0.040 0.000 1.087 41 M CB -1.057 31.559 32.600 0.027 0.000 1.453 41 M HN 0.405 nan 8.290 nan 0.000 0.509 42 N N 1.882 120.546 118.700 -0.060 0.000 2.740 42 N HA -0.122 4.618 4.740 0.001 0.000 0.248 42 N C -0.099 175.393 175.510 -0.031 0.000 1.062 42 N CA 1.222 54.244 53.050 -0.046 0.000 0.704 42 N CB -1.060 37.390 38.487 -0.062 0.000 0.968 42 N HN 0.724 nan 8.380 nan 0.000 0.547 43 G N -0.608 108.179 108.800 -0.021 0.000 3.071 43 G HA2 0.119 4.079 3.960 0.001 0.000 0.620 43 G HA3 0.119 4.079 3.960 0.001 0.000 0.620 43 G C -1.114 173.776 174.900 -0.016 0.000 1.204 43 G CA -0.387 44.701 45.100 -0.020 0.000 1.200 43 G HN 0.468 nan 8.290 nan 0.000 0.530 44 L N 2.166 123.379 121.223 -0.016 0.000 2.278 44 L HA 0.513 4.854 4.340 0.001 0.000 0.287 44 L C 0.804 177.667 176.870 -0.012 0.000 1.072 44 L CA -0.030 54.803 54.840 -0.012 0.000 0.819 44 L CB 0.888 42.934 42.059 -0.022 0.000 1.176 44 L HN 0.586 nan 8.230 nan 0.000 0.435 45 Q N 6.676 126.474 119.800 -0.004 0.000 2.490 45 Q HA 0.336 4.676 4.340 0.001 0.000 0.226 45 Q C -0.647 175.353 176.000 -0.001 0.000 1.132 45 Q CA 0.389 56.188 55.803 -0.006 0.000 0.928 45 Q CB 0.426 29.161 28.738 -0.005 0.000 1.299 45 Q HN 0.620 nan 8.270 nan 0.000 0.528 46 M N 3.358 122.954 119.600 -0.006 0.000 2.693 46 M HA 0.204 4.684 4.480 0.001 0.000 0.224 46 M C -1.905 174.387 176.300 -0.013 0.000 1.149 46 M CA -1.601 53.698 55.300 -0.002 0.000 0.622 46 M CB 1.197 33.807 32.600 0.016 0.000 1.443 46 M HN 0.217 nan 8.290 nan 0.000 0.431 47 P HA -0.117 nan 4.420 nan 0.000 0.218 47 P C 0.404 177.702 177.300 -0.003 0.000 1.149 47 P CA 1.670 64.759 63.100 -0.017 0.000 0.817 47 P CB 0.059 31.750 31.700 -0.016 0.000 0.785 48 N N -0.800 117.907 118.700 0.011 0.000 2.142 48 N HA -0.057 4.683 4.740 0.001 0.000 0.186 48 N C 1.966 177.541 175.510 0.109 0.000 1.023 48 N CA 1.060 54.164 53.050 0.091 0.000 0.852 48 N CB -0.424 38.078 38.487 0.024 0.000 0.998 48 N HN -0.028 nan 8.380 nan 0.000 0.424 49 M N 0.414 120.041 119.600 0.045 0.000 2.175 49 M HA -0.062 4.419 4.480 0.001 0.000 0.264 49 M C 1.958 178.254 176.300 -0.006 0.000 1.063 49 M CA 0.913 56.244 55.300 0.051 0.000 1.119 49 M CB -0.674 31.962 32.600 0.060 0.000 1.377 49 M HN 0.045 nan 8.290 nan 0.000 0.415 50 V N 0.467 120.363 119.914 -0.030 0.000 2.295 50 V HA -0.289 3.831 4.120 0.001 0.000 0.246 50 V C 2.301 178.337 176.094 -0.097 0.000 1.049 50 V CA 1.701 63.958 62.300 -0.071 0.000 1.024 50 V CB -0.696 31.089 31.823 -0.063 0.000 0.648 50 V HN 0.451 nan 8.190 nan 0.000 0.447 51 K N -0.242 120.108 120.400 -0.083 0.000 2.113 51 K HA -0.172 4.149 4.320 0.001 0.000 0.208 51 K C 2.039 178.518 176.600 -0.201 0.000 1.047 51 K CA 1.464 57.669 56.287 -0.137 0.000 0.928 51 K CB -0.333 32.085 32.500 -0.137 0.000 0.716 51 K HN 0.370 nan 8.250 nan 0.000 0.446 52 L N -0.974 120.147 121.223 -0.171 0.000 2.141 52 L HA -0.077 4.263 4.340 0.001 0.000 0.209 52 L C 1.247 178.052 176.870 -0.110 0.000 1.094 52 L CA 1.096 55.831 54.840 -0.176 0.000 0.763 52 L CB -0.098 41.930 42.059 -0.053 0.000 0.908 52 L HN 0.565 nan 8.230 nan 0.000 0.437 53 G N -1.094 107.618 108.800 -0.146 0.000 2.157 53 G HA2 -0.197 3.763 3.960 0.001 0.000 0.114 53 G HA3 -0.197 3.763 3.960 0.001 0.000 0.114 53 G C 0.407 175.128 174.900 -0.299 0.000 1.041 53 G CA 0.050 44.982 45.100 -0.281 0.000 0.714 53 G HN 0.109 nan 8.290 nan 0.000 0.492 54 L N 1.347 122.472 121.223 -0.164 0.000 2.017 54 L HA 0.258 4.599 4.340 0.001 0.000 0.208 54 L C 2.546 179.315 176.870 -0.169 0.000 1.073 54 L CA 3.516 58.280 54.840 -0.126 0.000 0.745 54 L CB -0.766 41.252 42.059 -0.068 0.000 0.894 54 L HN 0.355 nan 8.230 nan 0.000 0.432 55 G N -0.870 107.823 108.800 -0.178 0.000 2.443 55 G HA2 -0.255 3.705 3.960 0.001 0.000 0.219 55 G HA3 -0.255 3.705 3.960 0.001 0.000 0.219 55 G C 1.406 176.166 174.900 -0.233 0.000 1.131 55 G CA 0.737 45.733 45.100 -0.172 0.000 0.775 55 G HN 0.538 nan 8.290 nan 0.000 0.547 56 N N 0.359 118.824 118.700 -0.392 0.000 2.270 56 N HA -0.013 4.728 4.740 0.001 0.000 0.181 56 N C 2.151 177.395 175.510 -0.444 0.000 1.016 56 N CA 0.631 53.332 53.050 -0.581 0.000 0.870 56 N CB 0.031 37.776 38.487 -1.237 0.000 0.979 56 N HN 0.335 nan 8.380 nan 0.000 0.431 57 I N 0.208 120.582 120.570 -0.328 0.000 2.113 57 I HA -0.136 4.035 4.170 0.001 0.000 0.238 57 I C 1.030 177.089 176.117 -0.096 0.000 1.070 57 I CA 1.074 62.322 61.300 -0.087 0.000 1.332 57 I CB 0.085 38.051 38.000 -0.058 0.000 1.044 57 I HN -0.035 nan 8.210 nan 0.000 0.402 58 R N 0.557 120.985 120.500 -0.119 0.000 2.536 58 R HA 0.245 4.585 4.340 0.001 0.000 0.269 58 R C -1.203 175.036 176.300 -0.101 0.000 1.113 58 R CA -0.472 55.567 56.100 -0.102 0.000 0.948 58 R CB 1.750 31.991 30.300 -0.098 0.000 1.237 58 R HN 0.085 nan 8.270 nan 0.000 0.441 59 E N 4.295 124.442 120.200 -0.087 0.000 2.289 59 E HA 0.267 4.618 4.350 0.001 0.000 0.278 59 E C -0.303 176.257 176.600 -0.068 0.000 1.032 59 E CA 0.242 56.595 56.400 -0.079 0.000 0.854 59 E CB 1.337 30.996 29.700 -0.068 0.000 1.046 59 E HN 0.313 nan 8.360 nan 0.000 0.409 60 M N 1.565 121.126 119.600 -0.066 0.000 2.664 60 M HA 0.291 4.771 4.480 0.001 0.000 0.279 60 M C -0.581 175.691 176.300 -0.047 0.000 1.275 60 M CA -0.960 54.305 55.300 -0.059 0.000 0.829 60 M CB 2.015 34.571 32.600 -0.073 0.000 1.727 60 M HN 0.135 nan 8.290 nan 0.000 0.459 61 K N 0.614 120.993 120.400 -0.036 0.000 2.453 61 K HA 0.237 4.557 4.320 0.001 0.000 0.280 61 K C 0.913 177.495 176.600 -0.031 0.000 1.045 61 K CA 1.663 57.934 56.287 -0.027 0.000 1.059 61 K CB -0.117 32.374 32.500 -0.015 0.000 0.901 61 K HN 0.826 nan 8.250 nan 0.000 0.475 62 G N 3.785 112.566 108.800 -0.031 0.000 2.179 62 G HA2 -0.265 3.695 3.960 0.001 0.000 0.260 62 G HA3 -0.265 3.695 3.960 0.001 0.000 0.260 62 G C 0.122 174.999 174.900 -0.038 0.000 0.977 62 G CA 0.324 45.406 45.100 -0.031 0.000 0.641 62 G HN 0.609 nan 8.290 nan 0.000 0.533 63 I N 2.180 122.722 120.570 -0.047 0.000 2.502 63 I HA 0.421 4.592 4.170 0.001 0.000 0.276 63 I C 0.016 176.091 176.117 -0.069 0.000 1.057 63 I CA -0.420 60.845 61.300 -0.058 0.000 1.163 63 I CB 1.579 39.542 38.000 -0.063 0.000 1.288 63 I HN 0.046 nan 8.210 nan 0.000 0.479 64 S N 4.271 119.929 115.700 -0.070 0.000 2.681 64 S HA 0.508 4.978 4.470 0.001 0.000 0.299 64 S C -0.016 174.523 174.600 -0.101 0.000 1.113 64 S CA -0.998 57.156 58.200 -0.077 0.000 1.013 64 S CB 1.569 64.732 63.200 -0.062 0.000 1.076 64 S HN 0.395 nan 8.310 nan 0.000 0.534 65 K N 1.021 121.354 120.400 -0.112 0.000 2.336 65 K HA 0.312 4.632 4.320 0.001 0.000 0.262 65 K C -0.182 176.345 176.600 -0.121 0.000 0.992 65 K CA -0.332 55.869 56.287 -0.145 0.000 0.927 65 K CB 0.196 32.614 32.500 -0.137 0.000 0.956 65 K HN 0.450 nan 8.250 nan 0.000 0.495 66 V N -1.330 118.499 119.914 -0.140 0.000 2.815 66 V HA 0.251 4.372 4.120 0.001 0.000 0.314 66 V C 0.719 176.755 176.094 -0.097 0.000 1.064 66 V CA -0.816 61.419 62.300 -0.109 0.000 0.952 66 V CB 1.810 33.567 31.823 -0.111 0.000 1.020 66 V HN 0.674 nan 8.190 nan 0.000 0.439 67 E N 1.260 121.418 120.200 -0.071 0.000 2.072 67 E HA -0.001 4.350 4.350 0.001 0.000 0.191 67 E C 0.889 177.458 176.600 -0.052 0.000 0.985 67 E CA 1.363 57.731 56.400 -0.053 0.000 0.801 67 E CB 0.121 29.796 29.700 -0.042 0.000 0.750 67 E HN 0.740 nan 8.360 nan 0.000 0.452 68 K N 0.693 121.055 120.400 -0.063 0.000 2.404 68 K HA 0.276 4.596 4.320 0.001 0.000 0.257 68 K C -2.696 173.850 176.600 -0.090 0.000 1.026 68 K CA -2.186 54.061 56.287 -0.066 0.000 0.951 68 K CB 1.294 33.758 32.500 -0.059 0.000 1.203 68 K HN -0.124 nan 8.250 nan 0.000 0.446 69 P HA 0.161 nan 4.420 nan 0.000 0.292 69 P C 0.565 177.787 177.300 -0.129 0.000 1.287 69 P CA -0.521 62.515 63.100 -0.108 0.000 0.800 69 P CB 1.204 32.884 31.700 -0.034 0.000 0.945 70 L N 0.952 122.039 121.223 -0.227 0.000 2.043 70 L HA -0.075 4.266 4.340 0.001 0.000 0.212 70 L C 1.454 178.267 176.870 -0.094 0.000 1.075 70 L CA 2.033 56.678 54.840 -0.325 0.000 0.752 70 L CB -0.671 40.867 42.059 -0.868 0.000 0.891 70 L HN 0.553 nan 8.230 nan 0.000 0.432 71 G N -3.336 105.438 108.800 -0.045 0.000 3.176 71 G HA2 0.443 4.403 3.960 0.001 0.000 0.272 71 G HA3 0.443 4.403 3.960 0.001 0.000 0.272 71 G C -1.647 173.305 174.900 0.086 0.000 1.349 71 G CA -0.613 44.588 45.100 0.168 0.000 0.953 71 G HN -0.166 nan 8.290 nan 0.000 0.559 72 Y N -0.569 119.796 120.300 0.109 0.000 2.298 72 Y HA 0.524 5.074 4.550 0.001 0.000 0.329 72 Y C 0.056 175.981 175.900 0.040 0.000 1.293 72 Y CA 0.231 58.328 58.100 -0.005 0.000 1.388 72 Y CB 1.409 39.824 38.460 -0.074 0.000 1.309 72 Y HN 0.616 nan 8.280 nan 0.000 0.544 73 Y N -1.671 118.671 120.300 0.070 0.000 2.552 73 Y HA 0.755 5.306 4.550 0.001 0.000 0.337 73 Y C -0.652 175.211 175.900 -0.061 0.000 1.094 73 Y CA -1.034 57.052 58.100 -0.023 0.000 1.028 73 Y CB 1.903 40.338 38.460 -0.042 0.000 1.321 73 Y HN 0.670 nan 8.280 nan 0.000 0.456 74 T N 0.706 115.297 114.554 0.061 0.000 2.648 74 T HA 0.397 4.748 4.350 0.001 0.000 0.300 74 T C -1.959 172.724 174.700 -0.028 0.000 1.751 74 T CA -1.081 61.013 62.100 -0.011 0.000 0.959 74 T CB 1.282 70.075 68.868 -0.125 0.000 1.888 74 T HN 0.778 nan 8.240 nan 0.000 0.480 75 K N 0.888 121.253 120.400 -0.058 0.000 2.185 75 K HA 0.785 5.105 4.320 0.001 0.000 0.240 75 K C -0.637 175.993 176.600 0.050 0.000 0.983 75 K CA -1.005 55.259 56.287 -0.038 0.000 0.873 75 K CB 1.594 33.996 32.500 -0.163 0.000 1.118 75 K HN 0.478 nan 8.250 nan 0.000 0.441 76 M N 1.457 121.155 119.600 0.162 0.000 2.393 76 M HA 0.263 4.743 4.480 0.001 0.000 0.316 76 M C -0.762 175.857 176.300 0.531 0.000 1.087 76 M CA -0.743 54.739 55.300 0.302 0.000 0.937 76 M CB 2.194 34.939 32.600 0.241 0.000 1.668 76 M HN 0.525 nan 8.290 nan 0.000 0.438 77 Q N 2.148 122.209 119.800 0.435 0.000 2.257 77 Q HA 0.262 4.603 4.340 0.001 0.000 0.255 77 Q C -0.918 175.084 176.000 0.003 0.000 0.920 77 Q CA -0.345 55.593 55.803 0.226 0.000 0.927 77 Q CB 1.672 30.496 28.738 0.145 0.000 1.229 77 Q HN 0.670 nan 8.270 nan 0.000 0.433 78 E N 2.684 122.698 120.200 -0.310 0.000 2.316 78 E HA -0.009 4.341 4.350 0.001 0.000 0.275 78 E C -0.067 176.313 176.600 -0.366 0.000 1.029 78 E CA -0.107 55.798 56.400 -0.826 0.000 0.871 78 E CB 0.873 30.087 29.700 -0.810 0.000 1.022 78 E HN 0.447 nan 8.360 nan 0.000 0.418 79 K N 1.692 121.924 120.400 -0.280 0.000 2.242 79 K HA 0.153 4.473 4.320 0.001 0.000 0.200 79 K C 0.023 176.684 176.600 0.101 0.000 1.050 79 K CA 0.270 56.535 56.287 -0.037 0.000 0.981 79 K CB 0.295 32.803 32.500 0.012 0.000 0.795 79 K HN 0.341 nan 8.250 nan 0.000 0.477 80 S N 0.317 116.009 115.700 -0.014 0.000 2.573 80 S HA -0.018 4.452 4.470 0.001 0.000 0.277 80 S C 0.914 175.497 174.600 -0.028 0.000 1.346 80 S CA 0.432 58.578 58.200 -0.090 0.000 1.034 80 S CB 1.145 64.258 63.200 -0.146 0.000 0.879 80 S HN 0.546 nan 8.310 nan 0.000 0.528 81 T N -0.787 113.748 114.554 -0.032 0.000 3.148 81 T HA 0.282 4.633 4.350 0.001 0.000 0.253 81 T C 0.650 175.493 174.700 0.239 0.000 1.134 81 T CA 0.084 62.258 62.100 0.123 0.000 1.051 81 T CB -0.189 68.691 68.868 0.021 0.000 0.959 81 T HN 0.588 nan 8.240 nan 0.000 0.525 82 G N 0.839 109.707 108.800 0.113 0.000 2.498 82 G HA2 0.558 4.518 3.960 0.001 0.000 0.312 82 G HA3 0.558 4.518 3.960 0.001 0.000 0.312 82 G C 0.076 174.985 174.900 0.016 0.000 1.230 82 G CA -1.130 44.052 45.100 0.137 0.000 0.968 82 G HN 0.328 nan 8.290 nan 0.000 0.481 83 K N -0.571 119.836 120.400 0.012 0.000 2.374 83 K HA 0.173 4.493 4.320 0.001 0.000 0.202 83 K C 0.195 176.787 176.600 -0.014 0.000 1.040 83 K CA -0.296 55.954 56.287 -0.062 0.000 1.085 83 K CB 0.364 32.761 32.500 -0.172 0.000 0.873 83 K HN 0.600 nan 8.250 nan 0.000 0.539 87 T N 0.840 115.160 114.554 -0.389 0.000 2.665 87 T HA -0.141 4.210 4.350 0.001 0.000 0.268 87 T C 1.606 176.343 174.700 0.061 0.000 1.035 87 T CA 2.204 64.238 62.100 -0.109 0.000 1.151 87 T CB -0.730 68.145 68.868 0.011 0.000 0.862 87 T HN 0.636 nan 8.240 nan 0.000 0.438 88 G N 0.678 109.571 108.800 0.155 0.000 2.418 88 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 88 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 88 G C 1.380 176.495 174.900 0.358 0.000 1.158 88 G CA 0.613 45.925 45.100 0.354 0.000 0.771 88 G HN 0.572 nan 8.290 nan 0.000 0.545 89 H N -1.182 118.001 119.070 0.188 0.000 2.395 89 H HA -0.056 4.500 4.556 0.001 0.000 0.299 89 H C 2.417 178.073 175.328 0.547 0.000 1.070 89 H CA 1.195 57.419 56.048 0.293 0.000 1.356 89 H CB 0.065 29.810 29.762 -0.028 0.000 1.401 89 H HN 0.427 nan 8.280 nan 0.000 0.524 90 W N 1.606 123.068 121.300 0.270 0.000 2.388 90 W HA -0.067 4.593 4.660 0.001 0.000 0.294 90 W C 2.465 179.157 176.519 0.288 0.000 1.212 90 W CA 0.417 57.934 57.345 0.288 0.000 1.271 90 W CB -0.860 28.675 29.460 0.125 0.000 1.126 90 W HN 0.309 nan 8.180 nan 0.000 0.535 91 E N 0.447 120.929 120.200 0.471 0.000 2.051 91 E HA -0.192 4.158 4.350 0.001 0.000 0.192 91 E C 2.123 178.965 176.600 0.404 0.000 0.991 91 E CA 1.605 58.220 56.400 0.360 0.000 0.799 91 E CB -0.438 29.398 29.700 0.226 0.000 0.748 91 E HN 0.134 nan 8.360 nan 0.000 0.449 92 I N 0.653 121.498 120.570 0.458 0.000 2.185 92 I HA -0.286 3.885 4.170 0.001 0.000 0.246 92 I C 1.914 178.210 176.117 0.297 0.000 1.088 92 I CA 0.926 62.443 61.300 0.361 0.000 1.347 92 I CB -0.100 38.072 38.000 0.287 0.000 1.041 92 I HN 0.290 nan 8.210 nan 0.000 0.415 93 M N 0.012 119.837 119.600 0.374 0.000 2.493 93 M HA 0.208 4.689 4.480 0.001 0.000 0.244 93 M C 1.198 177.634 176.300 0.226 0.000 1.182 93 M CA 0.531 55.987 55.300 0.261 0.000 0.981 93 M CB -0.213 32.544 32.600 0.262 0.000 1.551 93 M HN 0.450 nan 8.290 nan 0.000 0.476 94 G N 0.355 109.314 108.800 0.264 0.000 2.192 94 G HA2 -0.150 3.811 3.960 0.001 0.000 0.193 94 G HA3 -0.150 3.811 3.960 0.001 0.000 0.193 94 G C -0.013 175.092 174.900 0.342 0.000 0.999 94 G CA -0.493 44.763 45.100 0.260 0.000 0.659 94 G HN 0.400 nan 8.290 nan 0.000 0.503 95 L N -0.298 121.123 121.223 0.329 0.000 2.400 95 L HA 0.766 5.107 4.340 0.001 0.000 0.264 95 L C 0.055 177.036 176.870 0.185 0.000 1.061 95 L CA -1.517 53.516 54.840 0.323 0.000 0.799 95 L CB 1.298 43.540 42.059 0.305 0.000 1.240 95 L HN 0.143 nan 8.230 nan 0.000 0.461 96 Y N 2.069 122.276 120.300 -0.154 0.000 2.331 96 Y HA 0.511 5.061 4.550 0.001 0.000 0.334 96 Y C -0.935 174.928 175.900 -0.060 0.000 0.960 96 Y CA -1.014 56.869 58.100 -0.361 0.000 1.130 96 Y CB 0.983 38.783 38.460 -1.100 0.000 1.164 96 Y HN 0.204 nan 8.280 nan 0.000 0.458 97 I N 6.867 127.123 120.570 -0.523 0.000 2.330 97 I HA 0.214 4.385 4.170 0.001 0.000 0.289 97 I C -0.074 175.671 176.117 -0.621 0.000 1.001 97 I CA -0.467 60.638 61.300 -0.325 0.000 1.193 97 I CB 1.406 39.401 38.000 -0.008 0.000 1.345 97 I HN 0.763 nan 8.210 nan 0.000 0.461 98 D N 2.336 122.438 120.400 -0.498 0.000 2.433 98 D HA -0.018 4.622 4.640 0.001 0.000 0.211 98 D C 0.420 176.612 176.300 -0.179 0.000 1.114 98 D CA 0.033 53.819 54.000 -0.356 0.000 0.837 98 D CB 0.335 40.986 40.800 -0.250 0.000 0.984 98 D HN 0.433 nan 8.370 nan 0.000 0.505 99 T N -0.134 114.324 114.554 -0.161 0.000 2.963 99 T HA 0.511 4.861 4.350 0.001 0.000 0.343 99 T C -2.763 171.799 174.700 -0.231 0.000 1.146 99 T CA -1.663 60.337 62.100 -0.168 0.000 1.016 99 T CB 1.906 70.658 68.868 -0.193 0.000 1.046 99 T HN -0.136 nan 8.240 nan 0.000 0.496 100 P HA 0.398 nan 4.420 nan 0.000 0.277 100 P C -0.686 176.457 177.300 -0.261 0.000 1.240 100 P CA -0.744 62.241 63.100 -0.192 0.000 0.798 100 P CB 0.677 32.345 31.700 -0.053 0.000 0.979 101 F N 0.145 120.087 119.950 -0.013 0.000 2.399 101 F HA 0.235 4.762 4.527 0.001 0.000 0.342 101 F C 1.505 177.281 175.800 -0.040 0.000 1.106 101 F CA 0.052 58.049 58.000 -0.004 0.000 1.196 101 F CB 0.520 39.487 39.000 -0.056 0.000 1.163 101 F HN 0.150 nan 8.300 nan 0.000 0.547 102 Q N 1.417 121.304 119.800 0.146 0.000 2.222 102 Q HA 0.546 4.887 4.340 0.001 0.000 0.252 102 Q C -0.899 174.976 176.000 -0.209 0.000 0.926 102 Q CA -0.974 54.753 55.803 -0.126 0.000 0.899 102 Q CB 2.714 31.272 28.738 -0.302 0.000 1.250 102 Q HN 0.547 nan 8.270 nan 0.000 0.441 103 V N 2.270 121.955 119.914 -0.382 0.000 2.612 103 V HA 0.476 4.596 4.120 0.001 0.000 0.301 103 V C -1.453 174.274 176.094 -0.612 0.000 1.046 103 V CA -0.414 61.698 62.300 -0.314 0.000 0.946 103 V CB 0.845 32.551 31.823 -0.196 0.000 1.003 103 V HN 0.692 nan 8.190 nan 0.000 0.459 104 F N 6.918 126.742 119.950 -0.210 0.000 2.550 104 F HA 0.459 4.986 4.527 0.001 0.000 0.348 104 F C -1.458 174.184 175.800 -0.263 0.000 1.219 104 F CA -1.495 56.320 58.000 -0.309 0.000 1.203 104 F CB 1.300 39.890 39.000 -0.684 0.000 1.436 104 F HN 0.444 nan 8.300 nan 0.000 0.541 105 P HA -0.122 nan 4.420 nan 0.000 0.223 105 P C 0.176 177.458 177.300 -0.030 0.000 1.151 105 P CA 1.316 64.389 63.100 -0.045 0.000 0.787 105 P CB 0.450 32.125 31.700 -0.041 0.000 0.788 106 E N 0.150 120.338 120.200 -0.020 0.000 2.989 106 E HA 0.396 4.747 4.350 0.001 0.000 0.207 106 E C 0.598 177.192 176.600 -0.010 0.000 0.989 106 E CA -0.235 56.160 56.400 -0.008 0.000 1.186 106 E CB 0.350 30.052 29.700 0.004 0.000 1.141 106 E HN 0.148 nan 8.360 nan 0.000 0.454 107 G N 1.008 109.768 108.800 -0.067 0.000 2.796 107 G HA2 -0.271 3.689 3.960 0.001 0.000 0.571 107 G HA3 -0.271 3.689 3.960 0.001 0.000 0.571 107 G C -0.508 174.267 174.900 -0.210 0.000 1.370 107 G CA -0.918 44.095 45.100 -0.145 0.000 0.856 107 G HN 0.176 nan 8.290 nan 0.000 0.538 108 F N 1.016 120.889 119.950 -0.128 0.000 2.370 108 F HA 0.528 5.055 4.527 0.001 0.000 0.324 108 F C -1.217 174.493 175.800 -0.150 0.000 1.116 108 F CA -1.360 56.431 58.000 -0.348 0.000 1.123 108 F CB 0.833 39.517 39.000 -0.527 0.000 1.238 108 F HN 0.288 nan 8.300 nan 0.000 0.536 109 P HA 0.048 nan 4.420 nan 0.000 0.269 109 P C 0.292 177.586 177.300 -0.009 0.000 1.209 109 P CA -0.197 62.950 63.100 0.078 0.000 0.776 109 P CB 0.703 32.500 31.700 0.161 0.000 0.876 110 K N 1.852 122.263 120.400 0.018 0.000 2.209 110 K HA -0.212 4.108 4.320 0.001 0.000 0.204 110 K C 1.723 178.307 176.600 -0.028 0.000 1.048 110 K CA 1.367 57.651 56.287 -0.005 0.000 0.940 110 K CB 0.025 32.533 32.500 0.014 0.000 0.729 110 K HN 0.487 nan 8.250 nan 0.000 0.451 111 E N 0.298 120.495 120.200 -0.005 0.000 2.110 111 E HA -0.206 4.145 4.350 0.001 0.000 0.193 111 E C 1.919 178.464 176.600 -0.093 0.000 0.988 111 E CA 0.823 57.229 56.400 0.009 0.000 0.804 111 E CB 0.017 29.790 29.700 0.123 0.000 0.745 111 E HN 0.190 nan 8.360 nan 0.000 0.458 112 L N 0.749 121.787 121.223 -0.308 0.000 2.027 112 L HA -0.125 4.216 4.340 0.001 0.000 0.206 112 L C 2.042 178.724 176.870 -0.313 0.000 1.074 112 L CA 1.585 56.095 54.840 -0.551 0.000 0.745 112 L CB -0.366 41.082 42.059 -1.019 0.000 0.898 112 L HN 0.207 nan 8.230 nan 0.000 0.433 113 L N -0.745 120.339 121.223 -0.233 0.000 2.141 113 L HA -0.141 4.200 4.340 0.001 0.000 0.209 113 L C 2.101 178.905 176.870 -0.109 0.000 1.094 113 L CA 0.853 55.594 54.840 -0.166 0.000 0.763 113 L CB -0.845 41.148 42.059 -0.111 0.000 0.908 113 L HN 0.267 nan 8.230 nan 0.000 0.437 114 D N 0.128 120.478 120.400 -0.083 0.000 2.144 114 D HA -0.199 4.441 4.640 0.001 0.000 0.200 114 D C 2.050 178.319 176.300 -0.052 0.000 0.978 114 D CA 1.056 55.025 54.000 -0.051 0.000 0.833 114 D CB 0.073 40.856 40.800 -0.029 0.000 0.961 114 D HN 0.334 nan 8.370 nan 0.000 0.470 115 E N -0.368 119.793 120.200 -0.065 0.000 2.106 115 E HA -0.124 4.227 4.350 0.001 0.000 0.192 115 E C 1.958 178.517 176.600 -0.068 0.000 0.984 115 E CA 0.236 56.605 56.400 -0.051 0.000 0.806 115 E CB 0.043 29.721 29.700 -0.038 0.000 0.750 115 E HN 0.046 nan 8.360 nan 0.000 0.458 116 L N 1.386 122.546 121.223 -0.105 0.000 2.056 116 L HA -0.135 4.206 4.340 0.001 0.000 0.207 116 L C 2.174 178.997 176.870 -0.078 0.000 1.078 116 L CA 1.848 56.623 54.840 -0.109 0.000 0.749 116 L CB -0.378 41.586 42.059 -0.157 0.000 0.901 116 L HN 0.137 nan 8.230 nan 0.000 0.433 117 E N -0.514 119.644 120.200 -0.069 0.000 2.051 117 E HA -0.314 4.036 4.350 0.001 0.000 0.192 117 E C 2.078 178.655 176.600 -0.038 0.000 0.991 117 E CA 1.490 57.861 56.400 -0.049 0.000 0.799 117 E CB -0.172 29.503 29.700 -0.041 0.000 0.748 117 E HN 0.668 nan 8.360 nan 0.000 0.449 118 E N -0.006 120.172 120.200 -0.035 0.000 2.153 118 E HA -0.190 4.161 4.350 0.001 0.000 0.194 118 E C 1.760 178.345 176.600 -0.025 0.000 0.988 118 E CA 0.916 57.300 56.400 -0.025 0.000 0.811 118 E CB 0.197 29.885 29.700 -0.020 0.000 0.746 118 E HN 0.051 nan 8.360 nan 0.000 0.466 119 K N -0.369 120.011 120.400 -0.033 0.000 2.314 119 K HA -0.000 4.320 4.320 0.001 0.000 0.198 119 K C 2.073 178.654 176.600 -0.032 0.000 1.045 119 K CA 1.377 57.645 56.287 -0.031 0.000 0.988 119 K CB 0.475 32.953 32.500 -0.038 0.000 0.783 119 K HN 0.290 nan 8.250 nan 0.000 0.484 120 T N -3.832 110.699 114.554 -0.037 0.000 2.990 120 T HA 0.175 4.525 4.350 0.001 0.000 0.249 120 T C 1.384 176.067 174.700 -0.028 0.000 1.039 120 T CA 0.727 62.806 62.100 -0.035 0.000 1.036 120 T CB 0.473 69.316 68.868 -0.043 0.000 0.994 120 T HN 0.225 nan 8.240 nan 0.000 0.489 121 G N 1.846 110.630 108.800 -0.026 0.000 2.148 121 G HA2 -0.242 3.718 3.960 0.001 0.000 0.254 121 G HA3 -0.242 3.718 3.960 0.001 0.000 0.254 121 G C 0.014 174.902 174.900 -0.021 0.000 0.981 121 G CA 0.058 45.145 45.100 -0.021 0.000 0.670 121 G HN 0.739 nan 8.290 nan 0.000 0.528 122 R N -0.154 120.331 120.500 -0.025 0.000 2.670 122 R HA 0.560 4.901 4.340 0.001 0.000 0.289 122 R C 0.200 176.486 176.300 -0.024 0.000 0.965 122 R CA -0.956 55.131 56.100 -0.022 0.000 0.899 122 R CB 1.616 31.902 30.300 -0.022 0.000 1.173 122 R HN 0.139 nan 8.270 nan 0.000 0.456 123 K N 1.717 122.106 120.400 -0.018 0.000 2.138 123 K HA 0.303 4.624 4.320 0.001 0.000 0.251 123 K C -0.023 176.566 176.600 -0.018 0.000 1.015 123 K CA -0.382 55.894 56.287 -0.018 0.000 0.917 123 K CB 0.584 33.077 32.500 -0.012 0.000 1.021 123 K HN 0.261 nan 8.250 nan 0.000 0.485 124 I N 3.577 124.135 120.570 -0.020 0.000 2.404 124 I HA 0.362 4.533 4.170 0.001 0.000 0.293 124 I C 0.293 176.409 176.117 -0.003 0.000 0.992 124 I CA -0.640 60.649 61.300 -0.018 0.000 1.149 124 I CB 0.834 38.811 38.000 -0.038 0.000 1.315 124 I HN 0.579 nan 8.210 nan 0.000 0.446 125 I N 1.125 121.700 120.570 0.009 0.000 2.957 125 I HA 0.967 5.137 4.170 0.001 0.000 0.310 125 I C 0.752 176.885 176.117 0.027 0.000 1.063 125 I CA -0.439 60.868 61.300 0.012 0.000 1.033 125 I CB 2.199 40.201 38.000 0.004 0.000 1.230 125 I HN 0.702 nan 8.210 nan 0.000 0.447 126 G N 3.343 112.155 108.800 0.020 0.000 4.315 126 G HA2 -0.376 3.584 3.960 0.001 0.000 0.280 126 G HA3 -0.376 3.584 3.960 0.001 0.000 0.280 126 G C 0.369 175.303 174.900 0.057 0.000 1.649 126 G CA 0.686 45.803 45.100 0.030 0.000 1.108 126 G HN 1.611 nan 8.290 nan 0.000 0.667 127 N N 0.610 119.375 118.700 0.109 0.000 2.696 127 N HA -0.145 4.596 4.740 0.001 0.000 0.256 127 N C -0.149 175.410 175.510 0.082 0.000 1.031 127 N CA 2.587 55.718 53.050 0.136 0.000 0.730 127 N CB -1.237 37.312 38.487 0.103 0.000 0.894 127 N HN 1.398 nan 8.380 nan 0.000 0.544 128 K N -2.025 118.430 120.400 0.092 0.000 2.579 128 K HA 0.649 4.969 4.320 0.001 0.000 0.284 128 K C -3.333 173.309 176.600 0.069 0.000 0.990 128 K CA -1.964 54.346 56.287 0.039 0.000 0.880 128 K CB 1.208 33.722 32.500 0.024 0.000 1.488 128 K HN -0.171 nan 8.250 nan 0.000 0.425 129 P HA 0.249 nan 4.420 nan 0.000 0.271 129 P C -1.326 176.015 177.300 0.068 0.000 1.216 129 P CA -0.090 63.041 63.100 0.052 0.000 0.771 129 P CB 1.051 32.755 31.700 0.006 0.000 0.864 130 A N 1.794 124.687 122.820 0.122 0.000 2.599 130 A HA 0.555 4.875 4.320 0.001 0.000 0.294 130 A C -0.293 177.333 177.584 0.070 0.000 1.055 130 A CA -0.546 51.514 52.037 0.039 0.000 0.683 130 A CB 0.536 19.487 19.000 -0.081 0.000 1.278 130 A HN 0.483 nan 8.150 nan 0.000 0.412 131 S N 0.502 116.199 115.700 -0.004 0.000 2.585 131 S HA 0.445 4.916 4.470 0.001 0.000 0.273 131 S C 1.351 175.899 174.600 -0.087 0.000 1.339 131 S CA 0.306 58.508 58.200 0.003 0.000 1.028 131 S CB 1.113 64.303 63.200 -0.018 0.000 0.906 131 S HN 2.106 nan 8.310 nan 0.000 0.528 132 G N 1.369 110.163 108.800 -0.011 0.000 2.442 132 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 132 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 132 G C 1.211 176.001 174.900 -0.184 0.000 1.141 132 G CA 1.208 46.247 45.100 -0.101 0.000 0.763 132 G HN 0.756 nan 8.290 nan 0.000 0.554 133 T N 1.065 115.556 114.554 -0.104 0.000 2.737 133 T HA -0.085 4.265 4.350 0.001 0.000 0.265 133 T C 2.296 176.927 174.700 -0.115 0.000 1.038 133 T CA 1.576 63.623 62.100 -0.088 0.000 1.144 133 T CB -0.231 68.612 68.868 -0.041 0.000 0.866 133 T HN 0.765 nan 8.240 nan 0.000 0.434 134 E N 0.694 120.822 120.200 -0.119 0.000 2.106 134 E HA -0.114 4.237 4.350 0.001 0.000 0.192 134 E C 2.201 178.699 176.600 -0.170 0.000 0.984 134 E CA 0.951 57.284 56.400 -0.113 0.000 0.806 134 E CB -0.425 29.224 29.700 -0.084 0.000 0.750 134 E HN 0.377 nan 8.360 nan 0.000 0.458 135 I N 1.140 121.538 120.570 -0.287 0.000 2.353 135 I HA -0.150 4.020 4.170 0.001 0.000 0.248 135 I C 2.197 178.093 176.117 -0.369 0.000 1.119 135 I CA 0.932 62.004 61.300 -0.380 0.000 1.417 135 I CB 0.012 37.586 38.000 -0.710 0.000 1.078 135 I HN 0.158 nan 8.210 nan 0.000 0.421 136 L N -0.401 120.581 121.223 -0.402 0.000 2.072 136 L HA -0.156 4.184 4.340 0.001 0.000 0.205 136 L C 2.073 178.850 176.870 -0.154 0.000 1.079 136 L CA 1.041 55.599 54.840 -0.469 0.000 0.752 136 L CB -0.936 40.801 42.059 -0.537 0.000 0.906 136 L HN 0.168 nan 8.230 nan 0.000 0.436 137 D N 0.114 120.484 120.400 -0.050 0.000 2.133 137 D HA -0.241 4.399 4.640 0.001 0.000 0.195 137 D C 2.042 178.357 176.300 0.024 0.000 0.997 137 D CA 1.366 55.392 54.000 0.043 0.000 0.840 137 D CB 0.031 40.831 40.800 0.000 0.000 0.947 137 D HN 0.377 nan 8.370 nan 0.000 0.452 138 E N -0.346 119.825 120.200 -0.048 0.000 2.046 138 E HA -0.041 4.310 4.350 0.001 0.000 0.190 138 E C 1.572 178.147 176.600 -0.042 0.000 0.982 138 E CA 0.605 56.979 56.400 -0.043 0.000 0.800 138 E CB 0.155 29.815 29.700 -0.068 0.000 0.756 138 E HN 0.213 nan 8.360 nan 0.000 0.449 139 L N -0.784 120.376 121.223 -0.104 0.000 2.858 139 L HA 0.330 4.670 4.340 0.001 0.000 0.251 139 L C 1.988 178.769 176.870 -0.147 0.000 1.149 139 L CA 0.123 54.903 54.840 -0.099 0.000 0.955 139 L CB 0.877 42.874 42.059 -0.104 0.000 1.289 139 L HN 0.176 nan 8.230 nan 0.000 0.542 140 G N 0.027 108.653 108.800 -0.289 0.000 2.440 140 G HA2 -0.317 3.644 3.960 0.001 0.000 0.218 140 G HA3 -0.317 3.644 3.960 0.001 0.000 0.218 140 G C 1.350 176.090 174.900 -0.267 0.000 1.154 140 G CA 0.778 45.491 45.100 -0.645 0.000 0.767 140 G HN 0.358 nan 8.290 nan 0.000 0.552 141 Q N -0.094 119.762 119.800 0.094 0.000 2.050 141 Q HA -0.119 4.222 4.340 0.001 0.000 0.202 141 Q C 2.432 178.487 176.000 0.093 0.000 0.980 141 Q CA 1.659 57.597 55.803 0.226 0.000 0.840 141 Q CB -0.223 28.661 28.738 0.244 0.000 0.898 141 Q HN 0.680 nan 8.270 nan 0.000 0.424 142 E N -0.309 119.920 120.200 0.048 0.000 2.077 142 E HA -0.263 4.088 4.350 0.001 0.000 0.193 142 E C 2.129 178.742 176.600 0.022 0.000 0.989 142 E CA 1.005 57.421 56.400 0.027 0.000 0.800 142 E CB 0.007 29.715 29.700 0.012 0.000 0.746 142 E HN 0.309 nan 8.360 nan 0.000 0.452 143 Q N 0.480 120.294 119.800 0.024 0.000 2.030 143 Q HA -0.206 4.135 4.340 0.001 0.000 0.204 143 Q C 2.184 178.203 176.000 0.031 0.000 0.986 143 Q CA 1.863 57.695 55.803 0.048 0.000 0.843 143 Q CB -0.246 28.568 28.738 0.126 0.000 0.904 143 Q HN 0.424 nan 8.270 nan 0.000 0.420 144 M N 0.120 119.736 119.600 0.026 0.000 2.108 144 M HA -0.214 4.266 4.480 0.001 0.000 0.261 144 M C 2.056 178.339 176.300 -0.029 0.000 1.066 144 M CA 2.018 57.297 55.300 -0.036 0.000 1.107 144 M CB -0.317 32.257 32.600 -0.044 0.000 1.356 144 M HN 0.139 nan 8.290 nan 0.000 0.406 145 E N 0.245 120.446 120.200 0.001 0.000 2.158 145 E HA -0.119 4.231 4.350 0.001 0.000 0.191 145 E C 1.674 178.270 176.600 -0.006 0.000 0.982 145 E CA 1.949 58.349 56.400 -0.001 0.000 0.823 145 E CB -0.028 29.680 29.700 0.013 0.000 0.766 145 E HN 0.538 nan 8.360 nan 0.000 0.468 146 T N -4.619 109.933 114.554 -0.003 0.000 3.000 146 T HA 0.325 4.676 4.350 0.001 0.000 0.248 146 T C 1.691 176.386 174.700 -0.009 0.000 1.034 146 T CA 0.357 62.454 62.100 -0.004 0.000 1.060 146 T CB 0.191 69.059 68.868 0.000 0.000 0.983 146 T HN 0.385 nan 8.240 nan 0.000 0.482 147 G N 1.291 110.085 108.800 -0.009 0.000 2.159 147 G HA2 -0.261 3.700 3.960 0.001 0.000 0.256 147 G HA3 -0.261 3.700 3.960 0.001 0.000 0.256 147 G C 0.241 175.138 174.900 -0.005 0.000 0.977 147 G CA 0.220 45.313 45.100 -0.012 0.000 0.652 147 G HN 0.741 nan 8.290 nan 0.000 0.531 148 S N -0.356 115.345 115.700 0.002 0.000 2.584 148 S HA 0.550 5.020 4.470 0.001 0.000 0.270 148 S C 0.692 175.301 174.600 0.016 0.000 1.346 148 S CA -0.122 58.080 58.200 0.004 0.000 1.018 148 S CB 0.832 64.035 63.200 0.004 0.000 0.899 148 S HN 0.442 nan 8.310 nan 0.000 0.542 149 L N 2.265 123.495 121.223 0.012 0.000 2.289 149 L HA 0.458 4.799 4.340 0.001 0.000 0.285 149 L C -0.310 176.585 176.870 0.041 0.000 1.049 149 L CA -0.339 54.517 54.840 0.027 0.000 0.804 149 L CB 0.645 42.704 42.059 -0.000 0.000 1.195 149 L HN 0.527 nan 8.230 nan 0.000 0.428 150 I N 4.086 124.704 120.570 0.081 0.000 2.347 150 I HA 0.135 4.306 4.170 0.001 0.000 0.294 150 I C -0.349 175.868 176.117 0.166 0.000 1.090 150 I CA -0.217 61.141 61.300 0.097 0.000 1.314 150 I CB 0.850 38.887 38.000 0.063 0.000 1.423 150 I HN 0.248 nan 8.210 nan 0.000 0.503 151 V N 8.349 128.344 119.914 0.136 0.000 2.370 151 V HA 0.455 4.575 4.120 0.001 0.000 0.283 151 V C -0.475 175.788 176.094 0.281 0.000 1.023 151 V CA -0.481 61.891 62.300 0.119 0.000 0.857 151 V CB 1.016 32.818 31.823 -0.036 0.000 0.985 151 V HN 0.650 nan 8.190 nan 0.000 0.443 152 Y N 2.130 122.495 120.300 0.108 0.000 2.728 152 Y HA 0.886 5.436 4.550 0.001 0.000 0.330 152 Y C -0.464 175.557 175.900 0.201 0.000 1.234 152 Y CA -0.883 57.299 58.100 0.136 0.000 1.070 152 Y CB 2.050 40.532 38.460 0.038 0.000 1.300 152 Y HN 0.463 nan 8.280 nan 0.000 0.467 153 T N 0.121 114.767 114.554 0.154 0.000 2.838 153 T HA 0.683 5.034 4.350 0.001 0.000 0.292 153 T C -0.677 174.050 174.700 0.045 0.000 1.113 153 T CA 0.008 62.123 62.100 0.024 0.000 1.008 153 T CB 1.253 70.103 68.868 -0.030 0.000 1.259 153 T HN 1.207 nan 8.240 nan 0.000 0.520 154 S N 0.590 116.274 115.700 -0.026 0.000 2.788 154 S HA 0.739 5.210 4.470 0.001 0.000 0.291 154 S C 1.578 176.111 174.600 -0.111 0.000 1.061 154 S CA -0.054 58.118 58.200 -0.046 0.000 0.923 154 S CB 0.396 63.538 63.200 -0.096 0.000 1.339 154 S HN 1.024 nan 8.310 nan 0.000 0.591 155 A N 0.021 122.713 122.820 -0.214 0.000 2.167 155 A HA 0.198 4.518 4.320 0.001 0.000 0.214 155 A C 0.518 177.907 177.584 -0.325 0.000 1.151 155 A CA 0.625 52.504 52.037 -0.264 0.000 0.735 155 A CB -0.758 18.043 19.000 -0.333 0.000 0.802 155 A HN 0.691 nan 8.150 nan 0.000 0.467 156 D N -1.012 119.191 120.400 -0.329 0.000 2.478 156 D HA 0.223 4.864 4.640 0.001 0.000 0.263 156 D C -0.066 176.163 176.300 -0.117 0.000 1.153 156 D CA -0.159 53.693 54.000 -0.247 0.000 1.038 156 D CB 1.086 41.766 40.800 -0.200 0.000 1.120 156 D HN -0.020 nan 8.370 nan 0.000 0.564 157 S N 0.609 116.256 115.700 -0.088 0.000 4.120 157 S HA 0.304 4.775 4.470 0.001 0.000 0.215 157 S C -0.349 174.277 174.600 0.042 0.000 1.347 157 S CA -0.594 57.620 58.200 0.024 0.000 0.889 157 S CB -1.315 61.900 63.200 0.025 0.000 1.585 157 S HN 0.286 nan 8.310 nan 0.000 0.447 158 V N 2.613 122.572 119.914 0.075 0.000 2.876 158 V HA 0.731 4.851 4.120 0.001 0.000 0.312 158 V C -0.756 175.430 176.094 0.154 0.000 1.085 158 V CA -1.189 61.140 62.300 0.049 0.000 0.945 158 V CB 1.893 33.689 31.823 -0.045 0.000 1.017 158 V HN 0.442 nan 8.190 nan 0.000 0.428 159 L N 3.219 124.472 121.223 0.051 0.000 2.319 159 L HA 0.622 4.962 4.340 0.001 0.000 0.281 159 L C -0.361 176.406 176.870 -0.172 0.000 1.005 159 L CA -0.197 54.610 54.840 -0.056 0.000 0.828 159 L CB 1.508 43.354 42.059 -0.356 0.000 1.227 159 L HN 0.891 nan 8.230 nan 0.000 0.415 160 Q N 5.957 125.589 119.800 -0.280 0.000 2.312 160 Q HA 0.569 4.909 4.340 0.001 0.000 0.263 160 Q C -1.181 174.651 176.000 -0.280 0.000 0.995 160 Q CA -0.549 55.017 55.803 -0.396 0.000 0.853 160 Q CB 2.996 31.209 28.738 -0.876 0.000 1.300 160 Q HN 0.603 nan 8.270 nan 0.000 0.448 161 I N 1.825 122.336 120.570 -0.098 0.000 2.411 161 I HA 0.498 4.669 4.170 0.001 0.000 0.284 161 I C -0.565 175.632 176.117 0.133 0.000 1.012 161 I CA -0.728 60.582 61.300 0.017 0.000 1.119 161 I CB 1.611 39.598 38.000 -0.022 0.000 1.261 161 I HN 0.558 nan 8.210 nan 0.000 0.448 162 A N 5.382 128.344 122.820 0.238 0.000 2.305 162 A HA 0.947 5.268 4.320 0.001 0.000 0.322 162 A C -0.350 177.431 177.584 0.329 0.000 1.187 162 A CA -0.364 51.865 52.037 0.319 0.000 0.825 162 A CB 1.151 20.332 19.000 0.302 0.000 1.164 162 A HN 0.831 nan 8.150 nan 0.000 0.498 163 A N 1.626 124.638 122.820 0.319 0.000 2.547 163 A HA 0.579 4.899 4.320 0.001 0.000 0.297 163 A C -0.821 176.515 177.584 -0.414 0.000 1.056 163 A CA -0.593 51.502 52.037 0.097 0.000 0.688 163 A CB 0.429 19.441 19.000 0.020 0.000 1.282 163 A HN 1.118 nan 8.150 nan 0.000 0.400 164 H N 0.940 119.440 119.070 -0.950 0.000 2.929 164 H HA 0.196 4.753 4.556 0.001 0.000 0.317 164 H C 1.030 176.049 175.328 -0.515 0.000 1.031 164 H CA 0.644 55.967 56.048 -1.208 0.000 1.466 164 H CB 0.800 30.007 29.762 -0.925 0.000 1.482 164 H HN 0.789 nan 8.280 nan 0.000 0.561 165 E N 3.166 123.129 120.200 -0.395 0.000 2.338 165 E HA -0.164 4.186 4.350 0.001 0.000 0.197 165 E C 1.098 177.690 176.600 -0.012 0.000 1.007 165 E CA 0.859 57.158 56.400 -0.167 0.000 0.849 165 E CB 0.257 29.843 29.700 -0.190 0.000 0.774 165 E HN 0.774 nan 8.360 nan 0.000 0.506 166 E N -0.239 120.086 120.200 0.208 0.000 2.299 166 E HA -0.069 4.281 4.350 0.001 0.000 0.193 166 E C 1.794 178.389 176.600 -0.009 0.000 0.998 166 E CA 0.486 56.940 56.400 0.090 0.000 0.851 166 E CB 0.515 30.275 29.700 0.100 0.000 0.795 166 E HN 0.081 nan 8.360 nan 0.000 0.492 167 V N 0.388 120.286 119.914 -0.027 0.000 2.672 167 V HA 0.013 4.133 4.120 0.001 0.000 0.242 167 V C 0.671 176.731 176.094 -0.057 0.000 1.059 167 V CA 0.540 62.800 62.300 -0.067 0.000 1.081 167 V CB 1.014 32.776 31.823 -0.101 0.000 0.752 167 V HN -0.085 nan 8.190 nan 0.000 0.472 168 V N 2.540 122.416 119.914 -0.064 0.000 2.349 168 V HA 0.398 4.519 4.120 0.001 0.000 0.284 168 V C -2.576 173.466 176.094 -0.087 0.000 1.014 168 V CA -1.923 60.337 62.300 -0.067 0.000 0.826 168 V CB 1.153 32.941 31.823 -0.060 0.000 1.009 168 V HN 0.284 nan 8.190 nan 0.000 0.431 169 P HA 0.021 nan 4.420 nan 0.000 0.266 169 P C 0.851 178.051 177.300 -0.166 0.000 1.193 169 P CA -0.144 62.890 63.100 -0.111 0.000 0.770 169 P CB 0.768 32.411 31.700 -0.094 0.000 0.836 170 L N 3.579 124.664 121.223 -0.230 0.000 2.043 170 L HA -0.217 4.124 4.340 0.001 0.000 0.212 170 L C 1.864 178.392 176.870 -0.570 0.000 1.075 170 L CA 2.166 56.768 54.840 -0.396 0.000 0.752 170 L CB -1.215 40.571 42.059 -0.454 0.000 0.891 170 L HN 0.496 nan 8.230 nan 0.000 0.432 171 D N -1.697 118.451 120.400 -0.421 0.000 2.178 171 D HA -0.232 4.408 4.640 0.001 0.000 0.201 171 D C 1.544 177.773 176.300 -0.119 0.000 0.980 171 D CA 1.230 55.053 54.000 -0.295 0.000 0.842 171 D CB -0.291 40.420 40.800 -0.149 0.000 0.948 171 D HN 0.440 nan 8.370 nan 0.000 0.472 172 E N 0.290 120.425 120.200 -0.109 0.000 2.107 172 E HA -0.082 4.269 4.350 0.001 0.000 0.191 172 E C 2.283 178.870 176.600 -0.022 0.000 0.982 172 E CA 0.166 56.536 56.400 -0.049 0.000 0.809 172 E CB -0.395 29.273 29.700 -0.053 0.000 0.756 172 E HN 0.294 nan 8.360 nan 0.000 0.459 173 L N 0.452 121.649 121.223 -0.044 0.000 2.046 173 L HA -0.172 4.168 4.340 0.001 0.000 0.208 173 L C 2.206 179.176 176.870 0.167 0.000 1.077 173 L CA 1.620 56.477 54.840 0.030 0.000 0.747 173 L CB -0.767 41.303 42.059 0.018 0.000 0.896 173 L HN 0.171 nan 8.230 nan 0.000 0.432 174 Y N -0.262 120.037 120.300 -0.002 0.000 2.165 174 Y HA -0.323 4.228 4.550 0.001 0.000 0.286 174 Y C 2.563 178.488 175.900 0.041 0.000 1.155 174 Y CA 1.121 59.265 58.100 0.073 0.000 1.164 174 Y CB -0.172 38.282 38.460 -0.010 0.000 0.978 174 Y HN 0.233 nan 8.280 nan 0.000 0.513 175 K N 0.367 120.867 120.400 0.166 0.000 2.063 175 K HA -0.198 4.123 4.320 0.001 0.000 0.208 175 K C 1.843 178.436 176.600 -0.012 0.000 1.048 175 K CA 1.647 57.973 56.287 0.065 0.000 0.928 175 K CB -0.274 32.249 32.500 0.038 0.000 0.713 175 K HN 0.312 nan 8.250 nan 0.000 0.442 176 I N 0.732 121.293 120.570 -0.015 0.000 2.226 176 I HA -0.354 3.817 4.170 0.001 0.000 0.245 176 I C 2.431 178.469 176.117 -0.131 0.000 1.100 176 I CA 0.996 62.261 61.300 -0.059 0.000 1.374 176 I CB -0.305 37.672 38.000 -0.038 0.000 1.057 176 I HN 0.253 nan 8.210 nan 0.000 0.413 177 C N 0.406 119.611 119.300 -0.158 0.000 2.425 177 C HA -0.173 4.288 4.460 0.001 0.000 0.277 177 C C 2.808 177.384 174.990 -0.690 0.000 1.280 177 C CA 0.841 59.636 59.018 -0.371 0.000 1.744 177 C CB -0.931 26.630 27.740 -0.298 0.000 1.989 177 C HN 0.442 nan 8.230 nan 0.000 0.491 178 K N 0.699 120.721 120.400 -0.629 0.000 2.097 178 K HA -0.111 4.209 4.320 0.001 0.000 0.206 178 K C 1.747 178.206 176.600 -0.234 0.000 1.049 178 K CA 1.391 57.401 56.287 -0.462 0.000 0.933 178 K CB -0.199 32.231 32.500 -0.116 0.000 0.717 178 K HN 0.464 nan 8.250 nan 0.000 0.442 179 I N 0.762 121.230 120.570 -0.171 0.000 2.142 179 I HA -0.266 3.905 4.170 0.001 0.000 0.240 179 I C 2.441 178.480 176.117 -0.130 0.000 1.078 179 I CA 1.270 62.503 61.300 -0.113 0.000 1.343 179 I CB -0.363 37.586 38.000 -0.085 0.000 1.046 179 I HN 0.231 nan 8.210 nan 0.000 0.405 180 A N 0.662 123.375 122.820 -0.179 0.000 1.940 180 A HA -0.275 4.045 4.320 0.001 0.000 0.219 180 A C 2.310 179.800 177.584 -0.157 0.000 1.176 180 A CA 2.048 53.971 52.037 -0.190 0.000 0.631 180 A CB -0.575 18.284 19.000 -0.235 0.000 0.814 180 A HN 0.321 nan 8.150 nan 0.000 0.446 181 R N 0.369 120.759 120.500 -0.182 0.000 2.081 181 R HA -0.163 4.177 4.340 0.001 0.000 0.235 181 R C 1.996 178.290 176.300 -0.010 0.000 1.131 181 R CA 2.136 58.183 56.100 -0.088 0.000 0.960 181 R CB -0.555 29.679 30.300 -0.110 0.000 0.856 181 R HN 0.594 nan 8.270 nan 0.000 0.436 182 E N 0.001 120.185 120.200 -0.026 0.000 2.077 182 E HA -0.122 4.229 4.350 0.001 0.000 0.193 182 E C 1.839 178.459 176.600 0.032 0.000 0.989 182 E CA 1.517 57.924 56.400 0.013 0.000 0.800 182 E CB -0.247 29.453 29.700 0.000 0.000 0.746 182 E HN 0.459 nan 8.360 nan 0.000 0.452 183 L N 0.349 121.579 121.223 0.012 0.000 2.201 183 L HA -0.072 4.268 4.340 0.001 0.000 0.212 183 L C 2.161 179.119 176.870 0.146 0.000 1.105 183 L CA 1.551 56.424 54.840 0.055 0.000 0.775 183 L CB -0.535 41.516 42.059 -0.013 0.000 0.913 183 L HN 0.321 nan 8.230 nan 0.000 0.440 184 T N -3.696 110.920 114.554 0.104 0.000 3.188 184 T HA 0.095 4.445 4.350 0.001 0.000 0.250 184 T C 1.494 176.313 174.700 0.198 0.000 1.077 184 T CA -0.154 62.060 62.100 0.190 0.000 0.967 184 T CB 0.088 69.014 68.868 0.097 0.000 1.006 184 T HN -0.024 nan 8.240 nan 0.000 0.552 185 L N 1.523 122.833 121.223 0.146 0.000 2.217 185 L HA 0.251 4.591 4.340 0.001 0.000 0.211 185 L C 0.968 177.880 176.870 0.071 0.000 1.107 185 L CA 0.656 55.571 54.840 0.125 0.000 0.783 185 L CB -1.024 41.090 42.059 0.092 0.000 0.919 185 L HN 0.316 nan 8.230 nan 0.000 0.442 186 D N -0.388 120.040 120.400 0.045 0.000 2.525 186 D HA -0.094 4.546 4.640 0.001 0.000 0.235 186 D C 1.150 177.377 176.300 -0.121 0.000 1.137 186 D CA 0.404 54.353 54.000 -0.084 0.000 0.868 186 D CB 0.890 41.557 40.800 -0.222 0.000 1.180 186 D HN 0.119 nan 8.370 nan 0.000 0.465 187 E N 1.995 122.107 120.200 -0.146 0.000 2.268 187 E HA -0.136 4.214 4.350 0.001 0.000 0.195 187 E C 1.483 177.987 176.600 -0.160 0.000 0.995 187 E CA 0.768 57.089 56.400 -0.132 0.000 0.836 187 E CB 0.079 29.703 29.700 -0.126 0.000 0.763 187 E HN 0.339 nan 8.360 nan 0.000 0.491 188 K N -0.063 120.149 120.400 -0.314 0.000 2.057 188 K HA -0.097 4.223 4.320 0.001 0.000 0.207 188 K C -0.094 176.388 176.600 -0.198 0.000 1.049 188 K CA 1.030 57.093 56.287 -0.374 0.000 0.931 188 K CB 0.139 32.223 32.500 -0.693 0.000 0.714 188 K HN 0.283 nan 8.250 nan 0.000 0.440 189 Y N -1.371 119.025 120.300 0.161 0.000 2.592 189 Y HA 0.398 4.948 4.550 0.001 0.000 0.354 189 Y C -0.751 175.311 175.900 0.270 0.000 1.063 189 Y CA -0.877 57.405 58.100 0.305 0.000 1.205 189 Y CB 0.010 38.638 38.460 0.280 0.000 1.106 189 Y HN -0.231 nan 8.280 nan 0.000 0.649 190 M N 3.724 123.522 119.600 0.331 0.000 2.135 190 M HA 0.465 4.946 4.480 0.001 0.000 0.345 190 M C -1.285 175.285 176.300 0.449 0.000 1.340 190 M CA -0.496 54.986 55.300 0.304 0.000 1.162 190 M CB 0.444 33.126 32.600 0.137 0.000 1.570 190 M HN 0.468 nan 8.290 nan 0.000 0.454 191 V N 5.019 125.197 119.914 0.441 0.000 2.539 191 V HA 0.342 4.463 4.120 0.001 0.000 0.292 191 V C 1.230 177.524 176.094 0.333 0.000 1.045 191 V CA -0.118 62.426 62.300 0.407 0.000 0.945 191 V CB 1.321 33.313 31.823 0.281 0.000 0.993 191 V HN 1.050 nan 8.190 nan 0.000 0.464 192 G N 3.638 112.509 108.800 0.118 0.000 2.418 192 G HA2 -0.097 3.864 3.960 0.001 0.000 0.217 192 G HA3 -0.097 3.864 3.960 0.001 0.000 0.217 192 G C 0.719 175.515 174.900 -0.172 0.000 1.158 192 G CA 0.474 45.362 45.100 -0.352 0.000 0.771 192 G HN 0.572 nan 8.290 nan 0.000 0.545 193 R N -1.078 119.384 120.500 -0.063 0.000 2.584 193 R HA 0.467 4.807 4.340 0.001 0.000 0.276 193 R C -1.900 174.403 176.300 0.004 0.000 1.046 193 R CA -0.553 55.529 56.100 -0.032 0.000 0.906 193 R CB 2.150 32.400 30.300 -0.082 0.000 1.215 193 R HN -0.035 nan 8.270 nan 0.000 0.449 194 V N 6.067 126.005 119.914 0.041 0.000 2.407 194 V HA 0.478 4.598 4.120 0.001 0.000 0.278 194 V C -0.015 176.138 176.094 0.098 0.000 1.037 194 V CA -0.428 61.883 62.300 0.018 0.000 0.900 194 V CB 1.468 33.263 31.823 -0.046 0.000 0.983 194 V HN 0.589 nan 8.190 nan 0.000 0.459 195 I N 3.878 124.467 120.570 0.031 0.000 2.466 195 I HA 0.618 4.788 4.170 0.001 0.000 0.289 195 I C 0.417 176.581 176.117 0.080 0.000 1.026 195 I CA -0.699 60.635 61.300 0.057 0.000 1.078 195 I CB 1.872 39.862 38.000 -0.016 0.000 1.249 195 I HN 0.637 nan 8.210 nan 0.000 0.429 196 A N 6.687 129.615 122.820 0.181 0.000 2.450 196 A HA 0.517 4.837 4.320 0.001 0.000 0.255 196 A C 0.162 177.844 177.584 0.164 0.000 1.096 196 A CA -0.253 51.909 52.037 0.209 0.000 0.778 196 A CB 0.151 19.369 19.000 0.363 0.000 1.031 196 A HN 0.652 nan 8.150 nan 0.000 0.494 197 R N 2.901 123.498 120.500 0.160 0.000 2.748 197 R HA 0.277 4.618 4.340 0.001 0.000 0.283 197 R C -2.986 173.450 176.300 0.227 0.000 1.507 197 R CA -1.955 54.257 56.100 0.187 0.000 1.666 197 R CB 0.529 30.965 30.300 0.227 0.000 1.237 197 R HN 0.541 nan 8.270 nan 0.000 0.633 198 P HA 0.119 nan 4.420 nan 0.000 0.271 198 P C -0.476 176.917 177.300 0.156 0.000 1.218 198 P CA 0.036 63.191 63.100 0.091 0.000 0.780 198 P CB 0.478 32.181 31.700 0.006 0.000 0.901 199 F N 0.841 120.723 119.950 -0.113 0.000 2.629 199 F HA 0.747 5.274 4.527 0.001 0.000 0.316 199 F C -0.893 174.673 175.800 -0.390 0.000 1.081 199 F CA -1.324 56.580 58.000 -0.160 0.000 0.954 199 F CB 1.087 40.021 39.000 -0.110 0.000 1.337 199 F HN 0.309 nan 8.300 nan 0.000 0.474 200 V N -1.182 118.626 119.914 -0.177 0.000 3.119 200 V HA 1.097 5.217 4.120 0.001 0.000 0.311 200 V C 0.036 176.225 176.094 0.157 0.000 1.259 200 V CA -0.611 61.451 62.300 -0.398 0.000 1.067 200 V CB 0.704 32.438 31.823 -0.149 0.000 1.123 200 V HN 2.254 nan 8.190 nan 0.000 0.463 201 G N 0.315 109.291 108.800 0.293 0.000 2.483 201 G HA2 0.273 4.233 3.960 0.001 0.000 0.521 201 G HA3 0.273 4.233 3.960 0.001 0.000 0.521 201 G C -0.977 174.112 174.900 0.314 0.000 1.278 201 G CA -0.076 45.196 45.100 0.286 0.000 0.965 201 G HN 1.608 nan 8.290 nan 0.000 0.504 202 E N -0.760 119.367 120.200 -0.122 0.000 2.359 202 E HA 0.679 5.030 4.350 0.001 0.000 0.266 202 E C -3.018 173.063 176.600 -0.865 0.000 0.920 202 E CA -2.177 54.056 56.400 -0.278 0.000 0.788 202 E CB 1.329 30.958 29.700 -0.118 0.000 1.279 202 E HN 0.290 nan 8.360 nan 0.000 0.438 203 P HA 0.037 nan 4.420 nan 0.000 0.261 203 P C 0.725 177.793 177.300 -0.386 0.000 1.173 203 P CA 2.078 64.868 63.100 -0.517 0.000 0.760 203 P CB 0.233 31.880 31.700 -0.088 0.000 0.783 204 G N 2.595 111.196 108.800 -0.331 0.000 2.345 204 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 204 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 204 G C 0.024 174.810 174.900 -0.190 0.000 1.058 204 G CA 0.117 45.105 45.100 -0.188 0.000 0.632 204 G HN 0.763 nan 8.290 nan 0.000 0.508 205 N N 0.380 118.900 118.700 -0.301 0.000 2.725 205 N HA 0.457 5.197 4.740 0.001 0.000 0.248 205 N C -0.954 174.448 175.510 -0.180 0.000 1.402 205 N CA -0.678 52.266 53.050 -0.178 0.000 0.766 205 N CB -0.304 38.129 38.487 -0.090 0.000 1.223 205 N HN 0.207 nan 8.380 nan 0.000 0.515 206 F N 1.317 121.301 119.950 0.057 0.000 2.396 206 F HA 0.446 4.973 4.527 0.001 0.000 0.343 206 F C 1.172 176.998 175.800 0.044 0.000 1.104 206 F CA -0.221 57.840 58.000 0.101 0.000 1.161 206 F CB 1.680 40.706 39.000 0.044 0.000 1.146 206 F HN 0.247 nan 8.300 nan 0.000 0.522 207 T N 0.782 115.513 114.554 0.294 0.000 2.916 207 T HA 0.448 4.798 4.350 0.001 0.000 0.298 207 T C -0.507 174.297 174.700 0.173 0.000 1.031 207 T CA -1.179 61.017 62.100 0.160 0.000 0.993 207 T CB 1.452 70.380 68.868 0.100 0.000 1.045 207 T HN 0.542 nan 8.240 nan 0.000 0.454 208 R N 2.100 122.670 120.500 0.118 0.000 2.522 208 R HA 0.320 4.660 4.340 0.001 0.000 0.284 208 R C 0.930 177.287 176.300 0.094 0.000 1.032 208 R CA 0.066 56.240 56.100 0.123 0.000 1.049 208 R CB 0.433 30.785 30.300 0.087 0.000 0.956 208 R HN 0.913 nan 8.270 nan 0.000 0.422 209 T N 0.837 115.443 114.554 0.087 0.000 2.868 209 T HA 0.259 4.609 4.350 0.001 0.000 0.292 209 T C -1.928 172.803 174.700 0.053 0.000 1.028 209 T CA -1.549 60.581 62.100 0.051 0.000 1.059 209 T CB 1.184 70.067 68.868 0.024 0.000 0.991 209 T HN 0.407 nan 8.240 nan 0.000 0.531 210 P HA 0.176 nan 4.420 nan 0.000 0.237 210 P C -0.756 176.573 177.300 0.048 0.000 1.788 210 P CA -0.168 62.955 63.100 0.038 0.000 1.061 210 P CB -0.366 31.350 31.700 0.027 0.000 1.967 211 N N 2.194 120.934 118.700 0.067 0.000 2.372 211 N HA 0.239 4.979 4.740 0.001 0.000 0.291 211 N C -0.818 174.748 175.510 0.094 0.000 1.024 211 N CA -0.617 52.491 53.050 0.098 0.000 0.873 211 N CB 1.559 40.124 38.487 0.130 0.000 1.206 211 N HN 0.102 nan 8.380 nan 0.000 0.486 212 R N 2.975 123.531 120.500 0.095 0.000 2.494 212 R HA 0.175 4.515 4.340 0.001 0.000 0.284 212 R C -1.454 174.875 176.300 0.047 0.000 1.525 212 R CA -0.476 55.654 56.100 0.050 0.000 1.460 212 R CB -0.032 30.272 30.300 0.006 0.000 1.134 212 R HN 0.572 nan 8.270 nan 0.000 0.592 213 H N 2.700 121.721 119.070 -0.082 0.000 3.013 213 H HA 0.235 4.791 4.556 0.001 0.000 0.326 213 H C -1.545 173.619 175.328 -0.272 0.000 0.973 213 H CA -0.569 55.319 56.048 -0.267 0.000 1.369 213 H CB 1.280 30.794 29.762 -0.413 0.000 1.598 213 H HN 0.715 nan 8.280 nan 0.000 0.518 214 D N 2.698 122.779 120.400 -0.532 0.000 2.592 214 D HA 0.261 4.901 4.640 0.001 0.000 0.263 214 D C -1.430 174.497 176.300 -0.621 0.000 1.132 214 D CA -0.647 53.166 54.000 -0.312 0.000 0.996 214 D CB 1.152 41.879 40.800 -0.122 0.000 1.442 214 D HN 0.296 nan 8.370 nan 0.000 0.486 215 Y N -0.536 119.682 120.300 -0.136 0.000 2.402 215 Y HA 0.655 5.205 4.550 0.001 0.000 0.325 215 Y C -0.030 175.834 175.900 -0.059 0.000 1.009 215 Y CA -1.164 56.876 58.100 -0.099 0.000 1.278 215 Y CB 1.877 40.300 38.460 -0.062 0.000 1.105 215 Y HN 0.702 nan 8.280 nan 0.000 0.476 216 A N 3.592 126.429 122.820 0.028 0.000 2.311 216 A HA 0.855 5.176 4.320 0.001 0.000 0.334 216 A C -0.828 176.815 177.584 0.099 0.000 1.139 216 A CA -0.795 51.259 52.037 0.028 0.000 0.830 216 A CB 0.940 19.924 19.000 -0.025 0.000 1.234 216 A HN 0.767 nan 8.150 nan 0.000 0.483 217 L N 1.307 122.624 121.223 0.156 0.000 2.334 217 L HA 0.319 4.659 4.340 0.001 0.000 0.277 217 L C 0.376 177.380 176.870 0.223 0.000 1.075 217 L CA -0.527 54.471 54.840 0.263 0.000 0.804 217 L CB 1.081 43.417 42.059 0.463 0.000 1.174 217 L HN 0.691 nan 8.230 nan 0.000 0.438 218 K N 2.676 123.152 120.400 0.126 0.000 2.295 218 K HA 0.255 4.575 4.320 0.001 0.000 0.270 218 K C -2.275 174.106 176.600 -0.365 0.000 1.011 218 K CA -1.625 54.638 56.287 -0.039 0.000 0.953 218 K CB 0.277 32.773 32.500 -0.007 0.000 0.956 218 K HN 0.255 nan 8.250 nan 0.000 0.477 219 P HA -0.091 nan 4.420 nan 0.000 0.266 219 P C -0.557 176.312 177.300 -0.718 0.000 1.193 219 P CA 0.205 62.224 63.100 -1.802 0.000 0.770 219 P CB 0.222 31.163 31.700 -1.266 0.000 0.836 220 F N 2.328 121.993 119.950 -0.475 0.000 2.651 220 F HA 0.461 4.989 4.527 0.001 0.000 0.369 220 F C 1.516 177.293 175.800 -0.039 0.000 1.187 220 F CA 0.039 57.990 58.000 -0.082 0.000 1.335 220 F CB -1.330 37.727 39.000 0.096 0.000 1.707 220 F HN 0.424 nan 8.300 nan 0.000 0.637 221 G N 0.389 109.236 108.800 0.079 0.000 2.335 221 G HA2 0.025 3.986 3.960 0.001 0.000 0.592 221 G HA3 0.025 3.986 3.960 0.001 0.000 0.592 221 G C -0.932 173.972 174.900 0.007 0.000 1.442 221 G CA -1.484 43.658 45.100 0.070 0.000 0.976 221 G HN 0.212 nan 8.290 nan 0.000 0.652 222 R N 0.432 120.946 120.500 0.024 0.000 2.570 222 R HA 0.450 4.790 4.340 0.001 0.000 0.277 222 R C 1.221 177.534 176.300 0.022 0.000 1.039 222 R CA 0.732 56.837 56.100 0.008 0.000 1.065 222 R CB 0.450 30.760 30.300 0.017 0.000 0.964 222 R HN 0.794 nan 8.270 nan 0.000 0.428 223 T N -1.902 112.653 114.554 0.001 0.000 2.923 223 T HA 0.166 4.517 4.350 0.001 0.000 0.281 223 T C 1.436 176.142 174.700 0.009 0.000 0.995 223 T CA -1.050 61.064 62.100 0.023 0.000 0.985 223 T CB 1.226 70.094 68.868 0.001 0.000 1.114 223 T HN 0.185 nan 8.240 nan 0.000 0.548 224 V N 0.837 120.762 119.914 0.018 0.000 2.469 224 V HA -0.204 3.916 4.120 0.001 0.000 0.251 224 V C 2.716 178.787 176.094 -0.038 0.000 1.064 224 V CA 2.120 64.418 62.300 -0.002 0.000 1.066 224 V CB -1.076 30.748 31.823 0.002 0.000 0.667 224 V HN 0.813 nan 8.190 nan 0.000 0.461 225 M N -0.091 119.464 119.600 -0.076 0.000 2.117 225 M HA -0.207 4.274 4.480 0.001 0.000 0.262 225 M C 2.003 178.265 176.300 -0.063 0.000 1.065 225 M CA 2.229 57.470 55.300 -0.098 0.000 1.114 225 M CB -0.736 31.757 32.600 -0.179 0.000 1.361 225 M HN 0.402 nan 8.290 nan 0.000 0.408 226 N N -0.086 118.584 118.700 -0.050 0.000 2.104 226 N HA -0.179 4.561 4.740 0.001 0.000 0.190 226 N C 1.636 177.142 175.510 -0.007 0.000 1.024 226 N CA 1.281 54.316 53.050 -0.026 0.000 0.853 226 N CB -0.045 38.431 38.487 -0.018 0.000 1.008 226 N HN 0.291 nan 8.380 nan 0.000 0.424 227 E N 0.823 121.023 120.200 -0.000 0.000 2.072 227 E HA -0.107 4.243 4.350 0.001 0.000 0.191 227 E C 2.186 178.812 176.600 0.042 0.000 0.985 227 E CA 0.627 57.040 56.400 0.021 0.000 0.801 227 E CB -0.402 29.312 29.700 0.023 0.000 0.750 227 E HN 0.437 nan 8.360 nan 0.000 0.452 228 L N 0.891 122.121 121.223 0.012 0.000 1.989 228 L HA -0.209 4.132 4.340 0.001 0.000 0.211 228 L C 2.753 179.675 176.870 0.086 0.000 1.071 228 L CA 1.567 56.423 54.840 0.027 0.000 0.749 228 L CB -0.500 41.489 42.059 -0.117 0.000 0.890 228 L HN 0.109 nan 8.230 nan 0.000 0.431 229 K N 0.132 120.544 120.400 0.020 0.000 2.026 229 K HA -0.212 4.108 4.320 0.001 0.000 0.208 229 K C 1.619 178.226 176.600 0.011 0.000 1.048 229 K CA 1.942 58.234 56.287 0.008 0.000 0.929 229 K CB -0.020 32.471 32.500 -0.015 0.000 0.713 229 K HN 0.217 nan 8.250 nan 0.000 0.439 230 D N 0.051 120.460 120.400 0.016 0.000 2.264 230 D HA -0.054 4.586 4.640 0.001 0.000 0.208 230 D C 1.077 177.385 176.300 0.014 0.000 0.966 230 D CA 0.808 54.814 54.000 0.011 0.000 0.864 230 D CB 0.132 40.940 40.800 0.012 0.000 0.933 230 D HN 0.081 nan 8.370 nan 0.000 0.499 231 S N 0.219 115.948 115.700 0.049 0.000 2.660 231 S HA -0.004 4.466 4.470 0.001 0.000 0.227 231 S C 0.109 174.644 174.600 -0.109 0.000 0.948 231 S CA -0.147 58.077 58.200 0.040 0.000 0.948 231 S CB 0.330 63.643 63.200 0.188 0.000 0.779 231 S HN 0.089 nan 8.310 nan 0.000 0.487 232 D N -0.036 120.306 120.400 -0.097 0.000 3.017 232 D HA -0.182 4.458 4.640 0.001 0.000 0.220 232 D C -0.796 175.339 176.300 -0.275 0.000 1.141 232 D CA 0.654 54.552 54.000 -0.170 0.000 0.848 232 D CB -1.728 38.959 40.800 -0.188 0.000 1.102 232 D HN 0.487 nan 8.370 nan 0.000 0.427 233 Y N 0.702 120.942 120.300 -0.101 0.000 2.316 233 Y HA 0.343 4.894 4.550 0.001 0.000 0.324 233 Y C 1.361 177.185 175.900 -0.127 0.000 1.267 233 Y CA -0.503 57.502 58.100 -0.157 0.000 1.311 233 Y CB 0.660 38.926 38.460 -0.323 0.000 1.267 233 Y HN -0.120 nan 8.280 nan 0.000 0.516 234 D N 1.533 121.984 120.400 0.084 0.000 2.351 234 D HA 0.242 4.883 4.640 0.001 0.000 0.251 234 D C -0.991 175.271 176.300 -0.063 0.000 1.137 234 D CA 0.205 54.213 54.000 0.013 0.000 0.879 234 D CB 1.606 42.447 40.800 0.069 0.000 1.181 234 D HN 0.127 nan 8.370 nan 0.000 0.448 235 V N 4.226 124.084 119.914 -0.093 0.000 2.380 235 V HA 0.310 4.430 4.120 0.001 0.000 0.286 235 V C 0.194 176.220 176.094 -0.114 0.000 1.015 235 V CA -0.667 61.572 62.300 -0.101 0.000 0.834 235 V CB 1.097 32.880 31.823 -0.067 0.000 1.009 235 V HN 0.361 nan 8.190 nan 0.000 0.428 236 I N 4.131 124.600 120.570 -0.168 0.000 2.339 236 I HA 0.711 4.881 4.170 0.001 0.000 0.290 236 I C 0.520 176.609 176.117 -0.046 0.000 0.994 236 I CA -0.387 60.816 61.300 -0.161 0.000 1.191 236 I CB 1.718 39.531 38.000 -0.312 0.000 1.343 236 I HN 0.637 nan 8.210 nan 0.000 0.458 237 A N 8.163 130.967 122.820 -0.026 0.000 2.276 237 A HA 0.816 5.137 4.320 0.001 0.000 0.316 237 A C -0.522 177.055 177.584 -0.013 0.000 1.229 237 A CA -0.417 51.617 52.037 -0.006 0.000 0.851 237 A CB 0.447 19.433 19.000 -0.024 0.000 1.165 237 A HN 0.693 nan 8.150 nan 0.000 0.513 238 I N 2.610 123.181 120.570 0.002 0.000 2.406 238 I HA 0.602 4.772 4.170 0.001 0.000 0.290 238 I C 0.968 177.076 176.117 -0.016 0.000 0.999 238 I CA 0.221 61.526 61.300 0.010 0.000 1.124 238 I CB 1.644 39.678 38.000 0.058 0.000 1.289 238 I HN 1.102 nan 8.210 nan 0.000 0.441 239 G N 5.946 114.731 108.800 -0.026 0.000 2.509 239 G HA2 -0.234 3.727 3.960 0.001 0.000 0.259 239 G HA3 -0.234 3.727 3.960 0.001 0.000 0.259 239 G C 0.588 175.444 174.900 -0.072 0.000 1.169 239 G CA -0.302 44.771 45.100 -0.044 0.000 0.953 239 G HN 0.537 nan 8.290 nan 0.000 0.563 240 K N 0.634 120.976 120.400 -0.097 0.000 2.525 240 K HA 0.195 4.515 4.320 0.001 0.000 0.192 240 K C 2.536 179.031 176.600 -0.175 0.000 1.029 240 K CA 0.401 56.607 56.287 -0.134 0.000 1.029 240 K CB -0.179 32.228 32.500 -0.154 0.000 0.814 240 K HN 0.445 nan 8.250 nan 0.000 0.503 241 I N 0.783 121.248 120.570 -0.175 0.000 2.151 241 I HA -0.288 3.883 4.170 0.001 0.000 0.243 241 I C 2.397 178.503 176.117 -0.018 0.000 1.080 241 I CA 1.295 62.479 61.300 -0.194 0.000 1.339 241 I CB -1.223 36.578 38.000 -0.333 0.000 1.039 241 I HN 0.125 nan 8.210 nan 0.000 0.409 242 S N 0.459 116.143 115.700 -0.026 0.000 2.359 242 S HA -0.211 4.260 4.470 0.001 0.000 0.224 242 S C 1.671 176.271 174.600 0.001 0.000 1.035 242 S CA 1.810 60.018 58.200 0.014 0.000 1.018 242 S CB -0.186 63.002 63.200 -0.019 0.000 0.876 242 S HN 0.377 nan 8.310 nan 0.000 0.448 243 D N 1.055 121.418 120.400 -0.062 0.000 2.123 243 D HA -0.052 4.589 4.640 0.001 0.000 0.196 243 D C 1.827 178.064 176.300 -0.104 0.000 0.992 243 D CA 1.052 54.998 54.000 -0.089 0.000 0.833 243 D CB -0.403 40.327 40.800 -0.117 0.000 0.954 243 D HN 0.463 nan 8.370 nan 0.000 0.455 244 I N -0.482 119.981 120.570 -0.179 0.000 2.226 244 I HA -0.272 3.899 4.170 0.001 0.000 0.245 244 I C 1.342 177.363 176.117 -0.161 0.000 1.100 244 I CA 1.110 62.222 61.300 -0.314 0.000 1.374 244 I CB -0.156 37.462 38.000 -0.637 0.000 1.057 244 I HN 0.041 nan 8.210 nan 0.000 0.413 245 Y N -0.262 120.090 120.300 0.087 0.000 2.468 245 Y HA 0.074 4.624 4.550 0.001 0.000 0.268 245 Y C 0.573 176.477 175.900 0.006 0.000 1.177 245 Y CA -0.218 57.939 58.100 0.095 0.000 1.265 245 Y CB -0.212 38.274 38.460 0.043 0.000 1.103 245 Y HN 0.108 nan 8.280 nan 0.000 0.522 246 D N 0.694 121.155 120.400 0.101 0.000 2.701 246 D HA -0.223 4.417 4.640 0.001 0.000 0.235 246 D C 1.391 177.705 176.300 0.025 0.000 1.155 246 D CA 1.416 55.436 54.000 0.033 0.000 0.649 246 D CB -1.094 39.722 40.800 0.026 0.000 1.050 246 D HN 0.679 nan 8.370 nan 0.000 0.425 247 G N -0.820 108.007 108.800 0.044 0.000 2.184 247 G HA2 -0.344 3.616 3.960 0.001 0.000 0.264 247 G HA3 -0.344 3.616 3.960 0.001 0.000 0.264 247 G C 0.026 174.935 174.900 0.015 0.000 0.975 247 G CA 0.333 45.444 45.100 0.017 0.000 0.642 247 G HN 0.481 nan 8.290 nan 0.000 0.536 248 E N 0.620 120.839 120.200 0.033 0.000 2.328 248 E HA 0.407 4.757 4.350 0.001 0.000 0.265 248 E C 1.348 177.928 176.600 -0.033 0.000 1.057 248 E CA 1.044 57.444 56.400 -0.001 0.000 0.916 248 E CB 0.362 30.056 29.700 -0.010 0.000 0.993 248 E HN 1.421 nan 8.360 nan 0.000 0.446 249 G N 2.271 111.049 108.800 -0.037 0.000 2.179 249 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 249 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 249 G C 0.310 175.181 174.900 -0.049 0.000 0.977 249 G CA 0.211 45.281 45.100 -0.050 0.000 0.641 249 G HN 0.399 nan 8.290 nan 0.000 0.533 250 V N 1.540 121.432 119.914 -0.037 0.000 2.465 250 V HA 0.550 4.670 4.120 0.001 0.000 0.279 250 V C 1.591 177.664 176.094 -0.035 0.000 1.045 250 V CA 0.737 63.016 62.300 -0.034 0.000 0.938 250 V CB 1.359 33.169 31.823 -0.021 0.000 0.986 250 V HN 0.660 nan 8.190 nan 0.000 0.467 251 T N 0.565 115.093 114.554 -0.043 0.000 3.015 251 T HA 0.243 4.593 4.350 0.001 0.000 0.250 251 T C 0.342 175.016 174.700 -0.045 0.000 1.057 251 T CA 0.148 62.224 62.100 -0.041 0.000 1.066 251 T CB 0.356 69.198 68.868 -0.043 0.000 0.959 251 T HN 0.643 nan 8.240 nan 0.000 0.488 252 E N 0.165 120.333 120.200 -0.054 0.000 2.335 252 E HA 0.514 4.865 4.350 0.001 0.000 0.280 252 E C -1.887 174.684 176.600 -0.048 0.000 0.918 252 E CA -0.586 55.783 56.400 -0.051 0.000 0.765 252 E CB 2.134 31.796 29.700 -0.063 0.000 1.218 252 E HN 0.072 nan 8.360 nan 0.000 0.425 253 S N 4.326 120.003 115.700 -0.037 0.000 2.502 253 S HA 0.580 5.051 4.470 0.001 0.000 0.304 253 S C -1.245 173.338 174.600 -0.028 0.000 1.097 253 S CA -0.626 57.554 58.200 -0.033 0.000 1.045 253 S CB 0.533 63.714 63.200 -0.032 0.000 1.019 253 S HN 0.475 nan 8.310 nan 0.000 0.481 254 L N 5.579 126.787 121.223 -0.024 0.000 2.324 254 L HA 0.534 4.874 4.340 0.001 0.000 0.274 254 L C 0.509 177.369 176.870 -0.017 0.000 1.012 254 L CA -0.647 54.184 54.840 -0.016 0.000 0.859 254 L CB 1.161 43.216 42.059 -0.006 0.000 1.224 254 L HN 0.524 nan 8.230 nan 0.000 0.429 255 R N 1.369 121.856 120.500 -0.021 0.000 2.694 255 R HA 0.407 4.747 4.340 0.001 0.000 0.268 255 R C 0.122 176.411 176.300 -0.019 0.000 1.061 255 R CA -0.010 56.075 56.100 -0.025 0.000 1.133 255 R CB 0.978 31.262 30.300 -0.028 0.000 1.020 255 R HN 0.606 nan 8.270 nan 0.000 0.475 256 T N -1.558 112.982 114.554 -0.024 0.000 2.906 256 T HA 0.371 4.721 4.350 0.001 0.000 0.295 256 T C 0.195 174.877 174.700 -0.029 0.000 1.061 256 T CA -1.127 60.961 62.100 -0.021 0.000 1.000 256 T CB 2.117 70.975 68.868 -0.017 0.000 1.103 256 T HN 0.445 nan 8.240 nan 0.000 0.486 257 K N 0.662 121.047 120.400 -0.026 0.000 2.354 257 K HA 0.356 4.676 4.320 0.001 0.000 0.194 257 K C 0.611 177.186 176.600 -0.042 0.000 1.045 257 K CA 0.061 56.329 56.287 -0.031 0.000 1.026 257 K CB 0.592 33.079 32.500 -0.020 0.000 0.866 257 K HN 0.812 nan 8.250 nan 0.000 0.530 258 S N -1.690 113.984 115.700 -0.042 0.000 2.615 258 S HA 0.247 4.718 4.470 0.001 0.000 0.269 258 S C -0.065 174.497 174.600 -0.063 0.000 1.161 258 S CA -0.980 57.186 58.200 -0.057 0.000 0.817 258 S CB 0.863 64.041 63.200 -0.036 0.000 1.131 258 S HN 0.058 nan 8.310 nan 0.000 0.467 259 N N -0.131 118.509 118.700 -0.100 0.000 2.104 259 N HA -0.131 4.610 4.740 0.001 0.000 0.190 259 N C 1.408 176.910 175.510 -0.014 0.000 1.024 259 N CA 1.576 54.563 53.050 -0.105 0.000 0.853 259 N CB -0.300 38.054 38.487 -0.222 0.000 1.008 259 N HN 0.449 nan 8.380 nan 0.000 0.424 260 M N 0.576 120.174 119.600 -0.003 0.000 2.175 260 M HA -0.106 4.374 4.480 0.001 0.000 0.264 260 M C 1.582 177.892 176.300 0.017 0.000 1.063 260 M CA 1.221 56.533 55.300 0.020 0.000 1.119 260 M CB -1.033 31.577 32.600 0.017 0.000 1.377 260 M HN 0.060 nan 8.290 nan 0.000 0.415 261 D N 0.111 120.514 120.400 0.005 0.000 2.144 261 D HA -0.096 4.545 4.640 0.001 0.000 0.199 261 D C 2.007 178.316 176.300 0.016 0.000 0.984 261 D CA 1.656 55.660 54.000 0.007 0.000 0.834 261 D CB -0.258 40.539 40.800 -0.004 0.000 0.955 261 D HN 0.357 nan 8.370 nan 0.000 0.465 262 G N 0.206 109.015 108.800 0.015 0.000 2.446 262 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 262 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 262 G C 1.537 176.476 174.900 0.064 0.000 1.168 262 G CA 0.992 46.113 45.100 0.035 0.000 0.771 262 G HN 0.191 nan 8.290 nan 0.000 0.551 263 M N 0.954 120.597 119.600 0.071 0.000 2.213 263 M HA -0.002 4.478 4.480 0.001 0.000 0.263 263 M C 1.958 178.285 176.300 0.044 0.000 1.062 263 M CA 0.872 56.217 55.300 0.074 0.000 1.105 263 M CB -0.996 31.649 32.600 0.075 0.000 1.385 263 M HN 0.102 nan 8.290 nan 0.000 0.417 264 D N 0.551 120.971 120.400 0.034 0.000 2.117 264 D HA -0.137 4.503 4.640 0.001 0.000 0.197 264 D C 2.026 178.349 176.300 0.037 0.000 0.987 264 D CA 1.244 55.261 54.000 0.027 0.000 0.829 264 D CB -0.084 40.728 40.800 0.020 0.000 0.961 264 D HN 0.163 nan 8.370 nan 0.000 0.460 265 K N 0.133 120.559 120.400 0.044 0.000 2.103 265 K HA -0.012 4.309 4.320 0.001 0.000 0.204 265 K C 1.841 178.490 176.600 0.082 0.000 1.052 265 K CA 0.087 56.406 56.287 0.053 0.000 0.945 265 K CB -0.474 32.052 32.500 0.043 0.000 0.722 265 K HN 0.032 nan 8.250 nan 0.000 0.443 266 L N 0.237 121.518 121.223 0.096 0.000 2.012 266 L HA -0.168 4.172 4.340 0.001 0.000 0.210 266 L C 1.774 178.702 176.870 0.096 0.000 1.073 266 L CA 1.600 56.519 54.840 0.132 0.000 0.748 266 L CB -0.449 41.687 42.059 0.128 0.000 0.891 266 L HN -0.040 nan 8.230 nan 0.000 0.431 267 V N -0.194 119.750 119.914 0.049 0.000 2.407 267 V HA -0.276 3.845 4.120 0.001 0.000 0.248 267 V C 2.260 178.393 176.094 0.064 0.000 1.055 267 V CA 1.821 64.137 62.300 0.027 0.000 1.049 267 V CB -0.852 30.975 31.823 0.007 0.000 0.662 267 V HN 0.460 nan 8.190 nan 0.000 0.455 268 D N 0.547 120.990 120.400 0.073 0.000 2.123 268 D HA -0.169 4.471 4.640 0.001 0.000 0.196 268 D C 2.398 178.778 176.300 0.132 0.000 0.992 268 D CA 2.174 56.224 54.000 0.083 0.000 0.833 268 D CB -0.437 40.400 40.800 0.062 0.000 0.954 268 D HN 0.646 nan 8.370 nan 0.000 0.455 269 T N -1.069 113.590 114.554 0.175 0.000 2.857 269 T HA -0.043 4.308 4.350 0.001 0.000 0.266 269 T C 2.360 177.375 174.700 0.526 0.000 1.048 269 T CA 0.413 62.685 62.100 0.286 0.000 1.139 269 T CB -0.584 68.434 68.868 0.249 0.000 0.874 269 T HN 0.091 nan 8.240 nan 0.000 0.455 270 L N 1.369 122.809 121.223 0.361 0.000 2.079 270 L HA -0.053 4.288 4.340 0.001 0.000 0.210 270 L C 2.382 179.378 176.870 0.210 0.000 1.081 270 L CA 1.197 56.168 54.840 0.218 0.000 0.752 270 L CB -0.615 41.395 42.059 -0.081 0.000 0.896 270 L HN 0.270 nan 8.230 nan 0.000 0.433 271 N N -0.702 118.099 118.700 0.169 0.000 2.515 271 N HA 0.053 4.793 4.740 0.001 0.000 0.185 271 N C 0.388 175.995 175.510 0.162 0.000 1.109 271 N CA 0.598 53.728 53.050 0.132 0.000 0.903 271 N CB 0.026 38.568 38.487 0.091 0.000 0.969 271 N HN 0.316 nan 8.380 nan 0.000 0.450 272 M N 0.123 119.871 119.600 0.246 0.000 2.314 272 M HA 0.118 4.598 4.480 0.001 0.000 0.342 272 M C -0.239 176.246 176.300 0.308 0.000 1.171 272 M CA -0.636 54.825 55.300 0.268 0.000 1.098 272 M CB 1.109 33.893 32.600 0.307 0.000 1.559 272 M HN -0.203 nan 8.290 nan 0.000 0.459 273 D N 3.094 123.625 120.400 0.218 0.000 2.313 273 D HA 0.461 5.101 4.640 0.001 0.000 0.239 273 D C -1.540 174.901 176.300 0.235 0.000 1.142 273 D CA 0.035 54.125 54.000 0.151 0.000 0.847 273 D CB 0.242 41.095 40.800 0.088 0.000 1.082 273 D HN 0.364 nan 8.370 nan 0.000 0.480 274 F N 0.342 120.333 119.950 0.068 0.000 2.711 274 F HA 0.622 5.149 4.527 0.001 0.000 0.313 274 F C -1.183 174.648 175.800 0.052 0.000 1.141 274 F CA -1.058 56.967 58.000 0.041 0.000 0.941 274 F CB 1.667 40.679 39.000 0.019 0.000 1.349 274 F HN 0.070 nan 8.300 nan 0.000 0.464 275 T N 0.993 115.649 114.554 0.169 0.000 2.841 275 T HA 0.733 5.083 4.350 0.001 0.000 0.285 275 T C -0.255 174.569 174.700 0.207 0.000 0.991 275 T CA 0.448 62.620 62.100 0.121 0.000 0.966 275 T CB 0.624 69.606 68.868 0.189 0.000 0.962 275 T HN 2.017 nan 8.240 nan 0.000 0.438 276 G N 3.349 112.123 108.800 -0.043 0.000 2.233 276 G HA2 0.233 4.193 3.960 0.001 0.000 0.162 276 G HA3 0.233 4.193 3.960 0.001 0.000 0.162 276 G C -1.949 172.884 174.900 -0.111 0.000 1.327 276 G CA -0.334 44.421 45.100 -0.575 0.000 1.187 276 G HN 0.975 nan 8.290 nan 0.000 0.479 277 L N 1.093 122.254 121.223 -0.104 0.000 2.341 277 L HA 0.854 5.194 4.340 0.001 0.000 0.278 277 L C 0.146 176.948 176.870 -0.113 0.000 1.005 277 L CA -0.330 54.477 54.840 -0.056 0.000 0.818 277 L CB 1.981 43.977 42.059 -0.104 0.000 1.259 277 L HN 0.901 nan 8.230 nan 0.000 0.418 278 S N 5.720 121.344 115.700 -0.127 0.000 2.456 278 S HA 0.567 5.038 4.470 0.001 0.000 0.316 278 S C -1.143 173.559 174.600 0.169 0.000 1.089 278 S CA -0.485 57.666 58.200 -0.081 0.000 1.101 278 S CB 0.211 63.370 63.200 -0.067 0.000 0.995 278 S HN 0.556 nan 8.310 nan 0.000 0.468 279 F N 6.349 126.314 119.950 0.025 0.000 2.496 279 F HA 0.557 5.084 4.527 0.001 0.000 0.341 279 F C -1.215 174.653 175.800 0.114 0.000 1.134 279 F CA -1.271 56.780 58.000 0.084 0.000 0.968 279 F CB 1.066 40.100 39.000 0.057 0.000 1.205 279 F HN 0.520 nan 8.300 nan 0.000 0.436 280 L N 6.156 127.672 121.223 0.488 0.000 2.329 280 L HA 0.503 4.843 4.340 0.001 0.000 0.279 280 L C -1.469 175.527 176.870 0.210 0.000 1.014 280 L CA -0.287 54.701 54.840 0.246 0.000 0.814 280 L CB 1.845 44.046 42.059 0.236 0.000 1.257 280 L HN 0.644 nan 8.230 nan 0.000 0.424 281 N N 3.871 122.619 118.700 0.081 0.000 2.417 281 N HA 0.495 5.236 4.740 0.001 0.000 0.274 281 N C -1.538 174.004 175.510 0.054 0.000 0.987 281 N CA -0.444 52.659 53.050 0.088 0.000 0.912 281 N CB 0.965 39.460 38.487 0.014 0.000 1.177 281 N HN 0.712 nan 8.380 nan 0.000 0.490 282 L N 4.380 125.648 121.223 0.075 0.000 2.288 282 L HA 0.306 4.647 4.340 0.001 0.000 0.283 282 L C 0.917 177.761 176.870 -0.043 0.000 1.072 282 L CA -0.384 54.452 54.840 -0.006 0.000 0.862 282 L CB 1.211 43.290 42.059 0.032 0.000 1.245 282 L HN 0.504 nan 8.230 nan 0.000 0.432 283 V N 1.979 121.832 119.914 -0.103 0.000 3.052 283 V HA -0.103 4.018 4.120 0.001 0.000 0.254 283 V C 1.554 177.556 176.094 -0.154 0.000 1.100 283 V CA 1.212 63.465 62.300 -0.079 0.000 1.112 283 V CB 0.160 31.942 31.823 -0.068 0.000 0.738 283 V HN 0.755 nan 8.190 nan 0.000 0.469 284 D N 0.522 120.744 120.400 -0.296 0.000 2.158 284 D HA -0.198 4.442 4.640 0.001 0.000 0.197 284 D C 1.901 178.009 176.300 -0.319 0.000 0.995 284 D CA 1.535 55.327 54.000 -0.347 0.000 0.846 284 D CB -0.337 40.257 40.800 -0.343 0.000 0.941 284 D HN 0.509 nan 8.370 nan 0.000 0.456 285 F N 0.905 120.775 119.950 -0.134 0.000 2.120 285 F HA -0.162 4.365 4.527 0.001 0.000 0.300 285 F C 2.290 177.820 175.800 -0.450 0.000 1.095 285 F CA 1.250 59.015 58.000 -0.392 0.000 1.249 285 F CB -0.871 37.947 39.000 -0.302 0.000 0.995 285 F HN -0.024 nan 8.300 nan 0.000 0.480 286 D N -0.499 119.888 120.400 -0.021 0.000 2.110 286 D HA -0.024 4.617 4.640 0.001 0.000 0.202 286 D C 2.205 178.544 176.300 0.064 0.000 0.975 286 D CA 1.210 55.225 54.000 0.024 0.000 0.839 286 D CB -0.242 40.630 40.800 0.120 0.000 0.996 286 D HN 0.082 nan 8.370 nan 0.000 0.464 287 A N -0.218 122.602 122.820 0.001 0.000 1.969 287 A HA 0.012 4.332 4.320 0.001 0.000 0.218 287 A C 2.199 179.687 177.584 -0.161 0.000 1.169 287 A CA 0.926 52.953 52.037 -0.016 0.000 0.635 287 A CB -0.461 18.493 19.000 -0.076 0.000 0.810 287 A HN 0.352 nan 8.150 nan 0.000 0.445 288 L N -3.180 117.785 121.223 -0.430 0.000 2.269 288 L HA 0.175 4.515 4.340 0.001 0.000 0.200 288 L C 2.055 178.489 176.870 -0.725 0.000 1.069 288 L CA 0.730 55.091 54.840 -0.798 0.000 0.804 288 L CB -0.191 41.045 42.059 -1.371 0.000 0.987 288 L HN 0.426 nan 8.230 nan 0.000 0.468 289 F N -1.053 118.835 119.950 -0.104 0.000 2.637 289 F HA 0.266 4.793 4.527 0.001 0.000 0.284 289 F C 2.325 178.155 175.800 0.051 0.000 1.105 289 F CA 0.343 58.306 58.000 -0.062 0.000 1.356 289 F CB -0.478 38.414 39.000 -0.181 0.000 1.096 289 F HN -0.081 nan 8.300 nan 0.000 0.616 290 G N 0.235 109.112 108.800 0.127 0.000 2.464 290 G HA2 -0.169 3.791 3.960 0.001 0.000 0.214 290 G HA3 -0.169 3.791 3.960 0.001 0.000 0.214 290 G C 1.427 176.387 174.900 0.101 0.000 1.218 290 G CA 0.709 45.926 45.100 0.195 0.000 0.794 290 G HN 0.279 nan 8.290 nan 0.000 0.542 291 H N 0.614 119.772 119.070 0.147 0.000 2.423 291 H HA 0.064 4.620 4.556 0.001 0.000 0.297 291 H C 2.546 177.924 175.328 0.083 0.000 1.075 291 H CA 0.939 57.055 56.048 0.112 0.000 1.342 291 H CB 0.106 29.912 29.762 0.074 0.000 1.395 291 H HN 0.278 nan 8.280 nan 0.000 0.530 292 R N 0.677 121.282 120.500 0.176 0.000 2.313 292 R HA 0.021 4.361 4.340 0.001 0.000 0.199 292 R C 0.098 176.477 176.300 0.131 0.000 0.958 292 R CA -0.164 56.008 56.100 0.120 0.000 1.047 292 R CB 0.341 30.683 30.300 0.069 0.000 0.955 292 R HN 0.034 nan 8.270 nan 0.000 0.481 293 R N 1.714 122.308 120.500 0.158 0.000 3.127 293 R HA -0.169 4.171 4.340 0.001 0.000 0.247 293 R C -0.923 175.452 176.300 0.125 0.000 0.896 293 R CA 0.653 56.839 56.100 0.143 0.000 0.624 293 R CB -1.983 28.382 30.300 0.108 0.000 1.154 293 R HN 0.278 nan 8.270 nan 0.000 0.474 294 D N 0.434 120.947 120.400 0.187 0.000 2.434 294 D HA 0.273 4.914 4.640 0.001 0.000 0.275 294 D C -1.265 175.110 176.300 0.124 0.000 1.172 294 D CA -2.250 51.850 54.000 0.167 0.000 0.916 294 D CB 1.054 42.029 40.800 0.292 0.000 1.041 294 D HN 0.036 nan 8.370 nan 0.000 0.501 295 P HA -0.181 nan 4.420 nan 0.000 0.218 295 P C 1.335 178.507 177.300 -0.212 0.000 1.149 295 P CA 0.854 63.822 63.100 -0.220 0.000 0.817 295 P CB 0.606 31.969 31.700 -0.561 0.000 0.785 296 Q N 0.754 120.415 119.800 -0.231 0.000 2.020 296 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 296 Q C 2.389 178.373 176.000 -0.027 0.000 0.982 296 Q CA 2.448 58.290 55.803 0.065 0.000 0.838 296 Q CB -1.600 27.250 28.738 0.186 0.000 0.899 296 Q HN 0.199 nan 8.270 nan 0.000 0.423 297 G N -0.915 107.826 108.800 -0.099 0.000 2.422 297 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 297 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 297 G C 1.240 175.495 174.900 -1.076 0.000 1.146 297 G CA 0.838 45.665 45.100 -0.456 0.000 0.769 297 G HN 0.423 nan 8.290 nan 0.000 0.547 298 Y N 2.070 121.928 120.300 -0.736 0.000 2.181 298 Y HA -0.048 4.503 4.550 0.001 0.000 0.288 298 Y C 2.814 178.592 175.900 -0.203 0.000 1.146 298 Y CA 1.038 58.898 58.100 -0.401 0.000 1.164 298 Y CB -0.730 37.721 38.460 -0.016 0.000 0.982 298 Y HN 0.135 nan 8.280 nan 0.000 0.515 299 G N -0.590 108.250 108.800 0.066 0.000 2.421 299 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 299 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 299 G C 1.564 176.487 174.900 0.037 0.000 1.171 299 G CA 0.964 46.096 45.100 0.054 0.000 0.775 299 G HN 0.473 nan 8.290 nan 0.000 0.543 300 E N 0.467 120.647 120.200 -0.032 0.000 2.110 300 E HA -0.026 4.324 4.350 0.001 0.000 0.193 300 E C 2.892 179.491 176.600 -0.002 0.000 0.988 300 E CA 0.760 57.143 56.400 -0.028 0.000 0.804 300 E CB -0.166 29.499 29.700 -0.059 0.000 0.745 300 E HN 0.420 nan 8.360 nan 0.000 0.458 301 A N 0.962 123.743 122.820 -0.065 0.000 1.898 301 A HA -0.139 4.181 4.320 0.001 0.000 0.216 301 A C 2.157 179.976 177.584 0.391 0.000 1.181 301 A CA 0.941 53.034 52.037 0.093 0.000 0.620 301 A CB -0.538 18.458 19.000 -0.006 0.000 0.819 301 A HN 0.138 nan 8.150 nan 0.000 0.442 302 L N -0.823 120.650 121.223 0.417 0.000 2.083 302 L HA -0.246 4.094 4.340 0.001 0.000 0.209 302 L C 2.887 179.936 176.870 0.297 0.000 1.083 302 L CA 1.514 56.580 54.840 0.376 0.000 0.752 302 L CB -0.456 41.694 42.059 0.151 0.000 0.899 302 L HN 0.498 nan 8.230 nan 0.000 0.433 303 Q N -0.649 119.255 119.800 0.172 0.000 2.123 303 Q HA -0.233 4.108 4.340 0.001 0.000 0.199 303 Q C 2.047 178.103 176.000 0.093 0.000 0.966 303 Q CA 1.253 57.116 55.803 0.101 0.000 0.845 303 Q CB -0.023 28.749 28.738 0.056 0.000 0.907 303 Q HN 0.477 nan 8.270 nan 0.000 0.439 304 E N 0.055 120.329 120.200 0.123 0.000 2.106 304 E HA -0.207 4.144 4.350 0.001 0.000 0.192 304 E C 1.776 178.451 176.600 0.125 0.000 0.984 304 E CA 0.729 57.187 56.400 0.097 0.000 0.806 304 E CB -0.017 29.735 29.700 0.087 0.000 0.750 304 E HN 0.388 nan 8.360 nan 0.000 0.458 305 Y N 1.478 121.842 120.300 0.107 0.000 2.145 305 Y HA -0.216 4.334 4.550 0.001 0.000 0.286 305 Y C 1.804 177.737 175.900 0.055 0.000 1.145 305 Y CA 2.239 60.412 58.100 0.122 0.000 1.148 305 Y CB -0.592 38.051 38.460 0.305 0.000 0.981 305 Y HN 0.058 nan 8.280 nan 0.000 0.507 306 D N 0.120 120.392 120.400 -0.214 0.000 2.149 306 D HA -0.220 4.420 4.640 0.001 0.000 0.198 306 D C 2.156 178.286 176.300 -0.283 0.000 0.990 306 D CA 1.613 55.401 54.000 -0.353 0.000 0.839 306 D CB -0.337 40.408 40.800 -0.092 0.000 0.948 306 D HN 0.496 nan 8.370 nan 0.000 0.460 307 A N -0.107 122.621 122.820 -0.154 0.000 2.070 307 A HA -0.121 4.200 4.320 0.001 0.000 0.220 307 A C 1.977 179.468 177.584 -0.155 0.000 1.159 307 A CA 0.847 52.813 52.037 -0.118 0.000 0.656 307 A CB -0.281 18.686 19.000 -0.054 0.000 0.800 307 A HN 0.121 nan 8.150 nan 0.000 0.453 308 R N -0.554 119.824 120.500 -0.204 0.000 2.275 308 R HA 0.190 4.531 4.340 0.001 0.000 0.199 308 R C 1.664 177.782 176.300 -0.304 0.000 0.989 308 R CA 0.297 56.281 56.100 -0.194 0.000 1.016 308 R CB -0.679 29.546 30.300 -0.125 0.000 0.918 308 R HN 0.565 nan 8.270 nan 0.000 0.473 309 L N 0.849 121.792 121.223 -0.467 0.000 2.141 309 L HA -0.085 4.255 4.340 0.001 0.000 0.209 309 L C -0.681 175.656 176.870 -0.888 0.000 1.094 309 L CA 1.219 55.605 54.840 -0.756 0.000 0.763 309 L CB -1.325 40.188 42.059 -0.911 0.000 0.908 309 L HN 0.053 nan 8.230 nan 0.000 0.437 310 P HA -0.216 nan 4.420 nan 0.000 0.216 310 P C 1.386 178.614 177.300 -0.120 0.000 1.150 310 P CA 1.312 64.299 63.100 -0.188 0.000 0.837 310 P CB 0.091 31.753 31.700 -0.062 0.000 0.786 311 E N -0.352 119.759 120.200 -0.149 0.000 2.077 311 E HA -0.146 4.204 4.350 0.001 0.000 0.193 311 E C 1.784 178.330 176.600 -0.090 0.000 0.989 311 E CA 1.152 57.499 56.400 -0.088 0.000 0.800 311 E CB -0.322 29.329 29.700 -0.081 0.000 0.746 311 E HN -0.050 nan 8.360 nan 0.000 0.452 312 V N 0.739 120.545 119.914 -0.180 0.000 2.295 312 V HA -0.239 3.881 4.120 0.001 0.000 0.246 312 V C 2.112 178.215 176.094 0.014 0.000 1.049 312 V CA 1.594 63.803 62.300 -0.150 0.000 1.024 312 V CB -0.643 31.048 31.823 -0.221 0.000 0.648 312 V HN 0.287 nan 8.190 nan 0.000 0.447 313 F N 1.029 120.988 119.950 0.014 0.000 2.161 313 F HA -0.138 4.389 4.527 0.000 0.000 0.300 313 F C 2.453 178.288 175.800 0.058 0.000 1.089 313 F CA 0.974 59.026 58.000 0.085 0.000 1.282 313 F CB -1.510 37.535 39.000 0.074 0.000 1.010 313 F HN 0.141 nan 8.300 nan 0.000 0.485 314 A N -0.189 122.751 122.820 0.200 0.000 1.930 314 A HA -0.132 4.189 4.320 0.001 0.000 0.217 314 A C 2.240 179.866 177.584 0.071 0.000 1.175 314 A CA 1.189 53.294 52.037 0.114 0.000 0.627 314 A CB -0.385 18.657 19.000 0.069 0.000 0.815 314 A HN 0.180 nan 8.150 nan 0.000 0.443 315 K N -0.838 119.586 120.400 0.040 0.000 2.365 315 K HA 0.126 4.446 4.320 0.001 0.000 0.197 315 K C -0.189 176.407 176.600 -0.006 0.000 1.042 315 K CA -0.133 56.157 56.287 0.005 0.000 0.987 315 K CB -0.314 32.166 32.500 -0.033 0.000 0.779 315 K HN 0.306 nan 8.250 nan 0.000 0.484 316 L N 2.623 123.850 121.223 0.008 0.000 2.499 316 L HA -0.032 4.308 4.340 0.001 0.000 0.273 316 L C 0.551 177.430 176.870 0.015 0.000 1.195 316 L CA 0.896 55.733 54.840 -0.005 0.000 0.882 316 L CB 0.161 42.230 42.059 0.017 0.000 1.133 316 L HN -0.022 nan 8.230 nan 0.000 0.483 317 K N 3.565 123.983 120.400 0.029 0.000 2.168 317 K HA 0.265 4.586 4.320 0.001 0.000 0.239 317 K C 0.825 177.442 176.600 0.028 0.000 0.999 317 K CA -0.901 55.406 56.287 0.033 0.000 0.900 317 K CB 1.038 33.564 32.500 0.044 0.000 1.111 317 K HN 0.411 nan 8.250 nan 0.000 0.452 318 E N 1.424 121.639 120.200 0.025 0.000 2.171 318 E HA -0.199 4.152 4.350 0.001 0.000 0.197 318 E C 0.610 177.248 176.600 0.062 0.000 0.997 318 E CA 1.566 57.980 56.400 0.024 0.000 0.810 318 E CB -0.036 29.671 29.700 0.011 0.000 0.738 318 E HN 0.582 nan 8.360 nan 0.000 0.467 319 D N 0.540 120.985 120.400 0.076 0.000 2.491 319 D HA 0.071 4.711 4.640 0.001 0.000 0.228 319 D C -0.366 176.079 176.300 0.241 0.000 1.183 319 D CA -0.210 53.864 54.000 0.123 0.000 0.827 319 D CB -0.105 40.714 40.800 0.033 0.000 0.989 319 D HN -0.188 nan 8.370 nan 0.000 0.494 320 D N 0.599 121.125 120.400 0.210 0.000 2.181 320 D HA 0.422 5.062 4.640 0.001 0.000 0.248 320 D C -0.654 175.651 176.300 0.009 0.000 1.020 320 D CA -0.591 53.522 54.000 0.189 0.000 0.891 320 D CB 2.309 43.249 40.800 0.233 0.000 1.187 320 D HN 0.055 nan 8.370 nan 0.000 0.443 321 L N 2.302 123.432 121.223 -0.156 0.000 2.356 321 L HA 0.453 4.793 4.340 0.001 0.000 0.277 321 L C -1.687 175.180 176.870 -0.006 0.000 0.996 321 L CA -0.849 53.756 54.840 -0.391 0.000 0.822 321 L CB 1.614 43.059 42.059 -1.023 0.000 1.256 321 L HN 0.218 nan 8.230 nan 0.000 0.413 322 L N 6.057 127.315 121.223 0.059 0.000 2.282 322 L HA 0.619 4.959 4.340 0.001 0.000 0.288 322 L C -1.457 175.521 176.870 0.180 0.000 1.033 322 L CA -0.022 54.944 54.840 0.209 0.000 0.807 322 L CB 1.055 43.286 42.059 0.286 0.000 1.209 322 L HN 0.591 nan 8.230 nan 0.000 0.423 323 L N 6.784 128.111 121.223 0.173 0.000 2.333 323 L HA 0.568 4.908 4.340 0.001 0.000 0.280 323 L C -0.751 176.212 176.870 0.155 0.000 1.004 323 L CA -0.416 54.513 54.840 0.148 0.000 0.820 323 L CB 1.750 43.873 42.059 0.107 0.000 1.247 323 L HN 0.553 nan 8.230 nan 0.000 0.416 324 I N 2.373 123.029 120.570 0.143 0.000 2.436 324 I HA 0.572 4.742 4.170 0.001 0.000 0.289 324 I C -0.004 176.145 176.117 0.052 0.000 1.010 324 I CA -0.021 61.356 61.300 0.130 0.000 1.098 324 I CB 2.257 40.367 38.000 0.184 0.000 1.266 324 I HN 0.582 nan 8.210 nan 0.000 0.434 325 T N 3.704 118.261 114.554 0.005 0.000 2.626 325 T HA 0.889 5.239 4.350 0.001 0.000 0.299 325 T C -1.623 172.995 174.700 -0.137 0.000 1.181 325 T CA -0.301 61.748 62.100 -0.086 0.000 1.053 325 T CB 1.796 70.587 68.868 -0.128 0.000 1.566 325 T HN 0.680 nan 8.240 nan 0.000 0.486 326 A N 0.176 122.852 122.820 -0.240 0.000 2.530 326 A HA 0.712 5.033 4.320 0.001 0.000 0.288 326 A C -0.382 176.963 177.584 -0.398 0.000 1.172 326 A CA 0.022 51.894 52.037 -0.274 0.000 0.733 326 A CB 1.257 20.102 19.000 -0.258 0.000 1.320 326 A HN 0.839 nan 8.150 nan 0.000 0.419 327 D N -1.502 118.686 120.400 -0.355 0.000 2.441 327 D HA 0.260 4.900 4.640 0.001 0.000 0.210 327 D C 0.236 176.611 176.300 0.124 0.000 1.102 327 D CA 1.141 55.026 54.000 -0.192 0.000 0.840 327 D CB -0.084 40.642 40.800 -0.124 0.000 0.990 327 D HN 0.853 nan 8.370 nan 0.000 0.505 328 H N -3.352 115.707 119.070 -0.018 0.000 2.832 328 H HA 0.514 5.070 4.556 0.001 0.000 0.259 328 H C -0.554 174.719 175.328 -0.092 0.000 1.448 328 H CA -0.997 55.042 56.048 -0.014 0.000 1.122 328 H CB 0.524 30.238 29.762 -0.079 0.000 1.772 328 H HN 0.030 nan 8.280 nan 0.000 0.491 329 G N -0.843 107.999 108.800 0.070 0.000 2.461 329 G HA2 0.445 4.406 3.960 0.001 0.000 0.329 329 G HA3 0.445 4.406 3.960 0.001 0.000 0.329 329 G C -0.878 174.081 174.900 0.098 0.000 1.170 329 G CA -0.671 44.429 45.100 -0.000 0.000 0.935 329 G HN 0.738 nan 8.290 nan 0.000 0.492 330 N N 0.243 118.971 118.700 0.047 0.000 2.732 330 N HA 0.075 4.815 4.740 0.001 0.000 0.235 330 N C -1.338 174.237 175.510 0.108 0.000 1.466 330 N CA -0.571 52.524 53.050 0.075 0.000 0.751 330 N CB 0.929 39.439 38.487 0.040 0.000 1.317 330 N HN 0.428 nan 8.380 nan 0.000 0.525 331 D N 1.763 122.190 120.400 0.045 0.000 2.412 331 D HA 0.071 4.712 4.640 0.001 0.000 0.257 331 D C -1.459 174.927 176.300 0.143 0.000 1.217 331 D CA -1.310 52.733 54.000 0.073 0.000 0.897 331 D CB 1.317 42.175 40.800 0.095 0.000 1.132 331 D HN 0.321 nan 8.370 nan 0.000 0.493 332 P HA 0.012 nan 4.420 nan 0.000 0.245 332 P C 1.121 178.479 177.300 0.096 0.000 1.212 332 P CA 0.444 63.640 63.100 0.160 0.000 0.774 332 P CB -0.214 31.615 31.700 0.216 0.000 0.999 333 I N -5.427 115.196 120.570 0.089 0.000 4.139 333 I HA 0.335 4.505 4.170 0.001 0.000 0.335 333 I C 0.718 176.873 176.117 0.063 0.000 1.327 333 I CA -0.536 60.782 61.300 0.031 0.000 1.112 333 I CB -0.661 37.295 38.000 -0.073 0.000 1.058 333 I HN -0.271 nan 8.210 nan 0.000 0.396 334 H N 3.691 122.781 119.070 0.033 0.000 2.790 334 H HA 0.331 4.888 4.556 0.001 0.000 0.358 334 H C -2.255 173.096 175.328 0.039 0.000 1.103 334 H CA -0.843 55.232 56.048 0.044 0.000 1.426 334 H CB 0.526 30.333 29.762 0.075 0.000 1.424 334 H HN 0.054 nan 8.280 nan 0.000 0.599 335 P HA 0.120 nan 4.420 nan 0.000 0.269 335 P C 0.180 177.465 177.300 -0.025 0.000 1.217 335 P CA 1.058 64.052 63.100 -0.176 0.000 0.783 335 P CB 0.444 31.992 31.700 -0.255 0.000 0.898 336 G N 1.298 110.108 108.800 0.017 0.000 2.641 336 G HA2 -0.209 3.751 3.960 0.001 0.000 0.254 336 G HA3 -0.209 3.751 3.960 0.001 0.000 0.254 336 G C 0.657 175.626 174.900 0.115 0.000 1.315 336 G CA 0.411 45.549 45.100 0.062 0.000 0.907 336 G HN 0.695 nan 8.290 nan 0.000 0.572 337 T N -2.853 111.778 114.554 0.129 0.000 3.003 337 T HA 0.359 4.709 4.350 0.001 0.000 0.261 337 T C 0.547 175.402 174.700 0.259 0.000 1.003 337 T CA 1.044 63.254 62.100 0.184 0.000 0.917 337 T CB 0.482 69.435 68.868 0.142 0.000 1.084 337 T HN 0.685 nan 8.240 nan 0.000 0.522 338 D N 1.655 122.163 120.400 0.180 0.000 2.361 338 D HA 0.137 4.777 4.640 0.001 0.000 0.239 338 D C 0.217 176.612 176.300 0.158 0.000 1.200 338 D CA -0.187 53.892 54.000 0.132 0.000 0.915 338 D CB 0.489 41.334 40.800 0.075 0.000 1.170 338 D HN 0.457 nan 8.370 nan 0.000 0.444 339 H N -0.884 118.213 119.070 0.044 0.000 2.801 339 H HA 0.266 4.822 4.556 0.001 0.000 0.377 339 H C 0.133 175.416 175.328 -0.075 0.000 1.304 339 H CA -0.130 55.889 56.048 -0.048 0.000 1.451 339 H CB 0.569 30.224 29.762 -0.178 0.000 1.474 339 H HN 0.275 nan 8.280 nan 0.000 0.620 340 T N -0.420 114.155 114.554 0.036 0.000 2.841 340 T HA 0.319 4.669 4.350 0.001 0.000 0.283 340 T C -0.109 174.531 174.700 -0.100 0.000 1.000 340 T CA -1.239 60.786 62.100 -0.125 0.000 0.977 340 T CB 1.890 70.593 68.868 -0.275 0.000 0.979 340 T HN 0.416 nan 8.240 nan 0.000 0.446 341 R N 1.970 122.367 120.500 -0.172 0.000 2.309 341 R HA 0.340 4.681 4.340 0.001 0.000 0.331 341 R C -0.371 175.815 176.300 -0.190 0.000 1.116 341 R CA 0.249 56.175 56.100 -0.290 0.000 0.970 341 R CB -0.406 29.564 30.300 -0.549 0.000 1.024 341 R HN 0.787 nan 8.270 nan 0.000 0.472 342 E N 3.067 123.190 120.200 -0.128 0.000 2.367 342 E HA 0.178 4.529 4.350 0.001 0.000 0.273 342 E C -0.952 175.634 176.600 -0.024 0.000 0.903 342 E CA -1.128 55.226 56.400 -0.077 0.000 0.764 342 E CB 1.234 30.918 29.700 -0.027 0.000 1.252 342 E HN 0.353 nan 8.360 nan 0.000 0.446 343 Y N 0.443 120.755 120.300 0.021 0.000 2.652 343 Y HA 0.082 4.633 4.550 0.001 0.000 0.344 343 Y C 0.616 176.525 175.900 0.015 0.000 1.254 343 Y CA -0.064 58.067 58.100 0.053 0.000 1.480 343 Y CB 0.404 38.875 38.460 0.018 0.000 1.345 343 Y HN 0.188 nan 8.280 nan 0.000 0.617 344 V N 1.292 121.319 119.914 0.189 0.000 2.628 344 V HA 0.673 4.794 4.120 0.001 0.000 0.306 344 V C -2.723 173.349 176.094 -0.037 0.000 1.045 344 V CA -2.967 59.319 62.300 -0.023 0.000 0.905 344 V CB 1.720 33.395 31.823 -0.248 0.000 0.997 344 V HN 0.549 nan 8.190 nan 0.000 0.436 345 P HA 0.397 nan 4.420 nan 0.000 0.274 345 P C -1.107 176.154 177.300 -0.066 0.000 1.237 345 P CA -0.228 62.838 63.100 -0.057 0.000 0.793 345 P CB 1.516 33.180 31.700 -0.059 0.000 0.977 346 L N 2.717 123.914 121.223 -0.043 0.000 2.439 346 L HA 0.493 4.833 4.340 0.001 0.000 0.270 346 L C -1.511 175.359 176.870 0.001 0.000 0.972 346 L CA -0.491 54.319 54.840 -0.050 0.000 0.836 346 L CB 1.208 43.193 42.059 -0.124 0.000 1.255 346 L HN 0.208 nan 8.230 nan 0.000 0.404 347 L N 4.965 126.215 121.223 0.046 0.000 2.385 347 L HA 0.923 5.263 4.340 0.001 0.000 0.273 347 L C -0.466 176.488 176.870 0.139 0.000 0.990 347 L CA -0.693 54.211 54.840 0.108 0.000 0.821 347 L CB 2.058 44.191 42.059 0.123 0.000 1.279 347 L HN 0.776 nan 8.230 nan 0.000 0.412 348 A N 3.125 126.053 122.820 0.180 0.000 2.332 348 A HA 0.669 4.990 4.320 0.001 0.000 0.300 348 A C -1.837 175.929 177.584 0.304 0.000 1.153 348 A CA -0.356 51.808 52.037 0.212 0.000 0.764 348 A CB 0.870 19.988 19.000 0.197 0.000 1.174 348 A HN 0.574 nan 8.150 nan 0.000 0.467 349 Y N 1.996 122.357 120.300 0.101 0.000 2.421 349 Y HA 0.698 5.248 4.550 0.001 0.000 0.339 349 Y C -0.491 175.440 175.900 0.051 0.000 0.996 349 Y CA -0.838 57.310 58.100 0.080 0.000 1.046 349 Y CB 2.097 40.576 38.460 0.032 0.000 1.226 349 Y HN 0.679 nan 8.280 nan 0.000 0.445 350 S N 6.456 121.850 115.700 -0.511 0.000 2.541 350 S HA 0.492 4.963 4.470 0.001 0.000 0.280 350 S C -2.479 171.726 174.600 -0.659 0.000 1.112 350 S CA -1.834 56.042 58.200 -0.540 0.000 0.925 350 S CB 1.895 65.073 63.200 -0.038 0.000 1.067 350 S HN 0.528 nan 8.310 nan 0.000 0.479 351 P HA -0.059 nan 4.420 nan 0.000 0.226 351 P C 1.121 178.390 177.300 -0.052 0.000 1.146 351 P CA 0.875 63.847 63.100 -0.213 0.000 0.773 351 P CB -0.064 31.573 31.700 -0.105 0.000 0.772 352 S N -2.143 113.542 115.700 -0.026 0.000 2.561 352 S HA 0.023 4.493 4.470 0.001 0.000 0.225 352 S C 1.043 175.678 174.600 0.058 0.000 0.977 352 S CA 0.311 58.527 58.200 0.028 0.000 0.926 352 S CB -0.972 62.254 63.200 0.044 0.000 0.769 352 S HN 0.108 nan 8.310 nan 0.000 0.533 353 M N 2.284 121.931 119.600 0.078 0.000 3.213 353 M HA 0.288 4.768 4.480 0.001 0.000 0.275 353 M C 0.737 177.092 176.300 0.092 0.000 1.424 353 M CA -0.394 54.981 55.300 0.125 0.000 1.561 353 M CB 0.371 33.090 32.600 0.199 0.000 1.109 353 M HN -0.011 nan 8.290 nan 0.000 0.552 354 K N 1.350 121.787 120.400 0.061 0.000 2.209 354 K HA -0.135 4.186 4.320 0.001 0.000 0.204 354 K C 1.134 177.750 176.600 0.026 0.000 1.048 354 K CA 1.154 57.465 56.287 0.040 0.000 0.940 354 K CB 0.047 32.563 32.500 0.028 0.000 0.729 354 K HN 0.684 nan 8.250 nan 0.000 0.451 355 E N -0.061 120.152 120.200 0.021 0.000 2.558 355 E HA 0.233 4.583 4.350 0.001 0.000 0.205 355 E C 0.493 177.076 176.600 -0.029 0.000 1.006 355 E CA 0.113 56.512 56.400 -0.002 0.000 0.961 355 E CB 0.022 29.721 29.700 -0.002 0.000 1.044 355 E HN 0.111 nan 8.360 nan 0.000 0.465 356 G N 0.291 109.080 108.800 -0.018 0.000 2.698 356 G HA2 -0.161 3.799 3.960 0.001 0.000 0.233 356 G HA3 -0.161 3.799 3.960 0.001 0.000 0.233 356 G C 0.168 174.950 174.900 -0.198 0.000 1.352 356 G CA -0.528 44.535 45.100 -0.063 0.000 0.879 356 G HN 0.643 nan 8.290 nan 0.000 0.567 357 G N -1.461 107.139 108.800 -0.332 0.000 3.016 357 G HA2 0.929 4.889 3.960 0.001 0.000 0.270 357 G HA3 0.929 4.889 3.960 0.001 0.000 0.270 357 G C -0.263 174.266 174.900 -0.618 0.000 1.352 357 G CA 0.666 45.218 45.100 -0.912 0.000 1.060 357 G HN 1.573 nan 8.290 nan 0.000 0.538 358 Q N -1.689 117.619 119.800 -0.820 0.000 2.814 358 Q HA 0.455 4.795 4.340 0.001 0.000 0.322 358 Q C -1.171 174.372 176.000 -0.762 0.000 0.888 358 Q CA -0.859 54.682 55.803 -0.437 0.000 0.768 358 Q CB 1.407 30.015 28.738 -0.217 0.000 1.443 358 Q HN 0.468 nan 8.270 nan 0.000 0.497 359 E N 0.758 120.505 120.200 -0.756 0.000 2.324 359 E HA 0.196 4.546 4.350 0.001 0.000 0.271 359 E C -1.012 175.397 176.600 -0.319 0.000 1.028 359 E CA -0.375 55.554 56.400 -0.786 0.000 0.890 359 E CB 0.573 30.068 29.700 -0.342 0.000 1.004 359 E HN 0.319 nan 8.360 nan 0.000 0.431 360 L N 6.585 127.635 121.223 -0.288 0.000 2.399 360 L HA 0.349 4.689 4.340 0.001 0.000 0.266 360 L C -2.099 174.695 176.870 -0.126 0.000 1.114 360 L CA -2.078 52.662 54.840 -0.165 0.000 0.804 360 L CB 0.560 42.476 42.059 -0.239 0.000 1.146 360 L HN 0.555 nan 8.230 nan 0.000 0.451 361 P HA 0.005 nan 4.420 nan 0.000 0.269 361 P C -0.475 176.801 177.300 -0.040 0.000 1.209 361 P CA -0.496 62.580 63.100 -0.040 0.000 0.776 361 P CB 0.313 32.008 31.700 -0.008 0.000 0.876 362 L N 3.776 124.988 121.223 -0.019 0.000 2.578 362 L HA -0.034 4.307 4.340 0.001 0.000 0.279 362 L C 0.207 177.106 176.870 0.048 0.000 1.227 362 L CA 0.596 55.439 54.840 0.006 0.000 0.900 362 L CB -0.142 41.932 42.059 0.025 0.000 1.144 362 L HN 0.380 nan 8.230 nan 0.000 0.496 363 R N 5.452 125.993 120.500 0.069 0.000 2.248 363 R HA 0.123 4.463 4.340 0.001 0.000 0.328 363 R C 0.800 177.201 176.300 0.168 0.000 1.067 363 R CA -0.105 56.068 56.100 0.122 0.000 0.924 363 R CB 0.234 30.618 30.300 0.140 0.000 1.013 363 R HN 0.634 nan 8.270 nan 0.000 0.454 364 Q N 0.186 120.071 119.800 0.142 0.000 2.436 364 Q HA -0.022 4.318 4.340 0.001 0.000 0.209 364 Q C 0.228 176.297 176.000 0.114 0.000 0.965 364 Q CA 0.905 56.781 55.803 0.122 0.000 0.910 364 Q CB 0.511 29.304 28.738 0.091 0.000 0.980 364 Q HN 0.547 nan 8.270 nan 0.000 0.491 365 T N -2.074 112.577 114.554 0.162 0.000 2.889 365 T HA 0.246 4.597 4.350 0.001 0.000 0.315 365 T C -0.236 174.660 174.700 0.327 0.000 1.291 365 T CA -0.754 61.439 62.100 0.155 0.000 1.028 365 T CB 0.675 69.621 68.868 0.130 0.000 1.235 365 T HN -0.084 nan 8.240 nan 0.000 0.491 366 F N 2.067 122.092 119.950 0.126 0.000 2.333 366 F HA 0.138 4.666 4.527 0.001 0.000 0.300 366 F C 2.642 178.534 175.800 0.154 0.000 1.083 366 F CA 0.912 58.989 58.000 0.129 0.000 1.395 366 F CB -1.340 37.728 39.000 0.114 0.000 1.056 366 F HN 0.752 nan 8.300 nan 0.000 0.529 367 A N -0.230 122.799 122.820 0.348 0.000 2.216 367 A HA -0.145 4.176 4.320 0.001 0.000 0.214 367 A C 1.828 179.545 177.584 0.222 0.000 1.160 367 A CA 1.290 53.492 52.037 0.276 0.000 0.725 367 A CB -0.721 18.448 19.000 0.282 0.000 0.784 367 A HN 0.187 nan 8.150 nan 0.000 0.472 368 D N 0.265 120.815 120.400 0.250 0.000 2.182 368 D HA -0.142 4.498 4.640 0.001 0.000 0.201 368 D C 1.707 178.127 176.300 0.200 0.000 0.986 368 D CA 1.008 55.157 54.000 0.249 0.000 0.847 368 D CB -0.238 40.776 40.800 0.356 0.000 0.942 368 D HN 0.563 nan 8.370 nan 0.000 0.467 369 I N 0.568 121.283 120.570 0.242 0.000 2.142 369 I HA -0.172 3.998 4.170 0.001 0.000 0.240 369 I C 2.549 178.655 176.117 -0.020 0.000 1.078 369 I CA 1.354 62.731 61.300 0.128 0.000 1.343 369 I CB -0.632 37.443 38.000 0.125 0.000 1.046 369 I HN 0.046 nan 8.210 nan 0.000 0.405 370 G N 0.634 109.459 108.800 0.041 0.000 2.476 370 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 370 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 370 G C 1.849 176.739 174.900 -0.017 0.000 1.164 370 G CA 0.977 46.090 45.100 0.021 0.000 0.768 370 G HN 0.508 nan 8.290 nan 0.000 0.560 371 A N 0.058 122.873 122.820 -0.008 0.000 1.933 371 A HA -0.023 4.298 4.320 0.001 0.000 0.218 371 A C 2.537 180.035 177.584 -0.143 0.000 1.175 371 A CA 2.488 54.498 52.037 -0.045 0.000 0.628 371 A CB -0.911 18.083 19.000 -0.010 0.000 0.814 371 A HN 0.319 nan 8.150 nan 0.000 0.444 372 T N -0.383 114.008 114.554 -0.273 0.000 2.708 372 T HA -0.109 4.241 4.350 0.001 0.000 0.266 372 T C 1.893 176.415 174.700 -0.296 0.000 1.037 372 T CA 1.579 63.411 62.100 -0.447 0.000 1.146 372 T CB -0.423 67.860 68.868 -0.974 0.000 0.865 372 T HN 0.167 nan 8.240 nan 0.000 0.435 373 V N 1.759 121.549 119.914 -0.207 0.000 2.295 373 V HA -0.165 3.955 4.120 0.001 0.000 0.246 373 V C 2.905 178.977 176.094 -0.036 0.000 1.049 373 V CA 1.703 63.942 62.300 -0.102 0.000 1.024 373 V CB -1.251 30.544 31.823 -0.047 0.000 0.648 373 V HN 0.526 nan 8.190 nan 0.000 0.447 374 A N -0.595 122.199 122.820 -0.043 0.000 1.883 374 A HA -0.290 4.030 4.320 0.001 0.000 0.217 374 A C 2.303 179.861 177.584 -0.044 0.000 1.186 374 A CA 2.123 54.149 52.037 -0.017 0.000 0.624 374 A CB -0.539 18.453 19.000 -0.014 0.000 0.822 374 A HN 0.608 nan 8.150 nan 0.000 0.444 375 E N -0.252 119.892 120.200 -0.093 0.000 2.072 375 E HA -0.218 4.132 4.350 0.001 0.000 0.191 375 E C 2.092 178.602 176.600 -0.150 0.000 0.985 375 E CA 1.017 57.353 56.400 -0.106 0.000 0.801 375 E CB -0.257 29.370 29.700 -0.121 0.000 0.750 375 E HN 0.708 nan 8.360 nan 0.000 0.452 376 N N -0.112 118.444 118.700 -0.241 0.000 2.061 376 N HA -0.191 4.549 4.740 0.001 0.000 0.193 376 N C 1.344 176.565 175.510 -0.482 0.000 1.030 376 N CA 1.280 54.087 53.050 -0.404 0.000 0.856 376 N CB -0.167 37.968 38.487 -0.588 0.000 1.023 376 N HN 0.148 nan 8.380 nan 0.000 0.424 377 F N -0.199 119.639 119.950 -0.188 0.000 2.765 377 F HA 0.286 4.813 4.527 0.000 0.000 0.302 377 F C 1.628 177.367 175.800 -0.102 0.000 1.111 377 F CA 0.227 58.054 58.000 -0.287 0.000 1.359 377 F CB 0.290 38.833 39.000 -0.761 0.000 1.097 377 F HN 0.123 nan 8.300 nan 0.000 0.577 378 G N 1.632 110.465 108.800 0.056 0.000 2.221 378 G HA2 -0.226 3.734 3.960 0.001 0.000 0.265 378 G HA3 -0.226 3.734 3.960 0.001 0.000 0.265 378 G C 0.034 174.990 174.900 0.093 0.000 1.041 378 G CA 0.241 45.381 45.100 0.067 0.000 0.807 378 G HN 0.428 nan 8.290 nan 0.000 0.502 379 V N -3.568 116.394 119.914 0.081 0.000 3.096 379 V HA 0.790 4.910 4.120 0.001 0.000 0.319 379 V C 1.046 177.164 176.094 0.040 0.000 1.082 379 V CA -1.129 61.217 62.300 0.078 0.000 1.022 379 V CB 1.476 33.351 31.823 0.085 0.000 1.103 379 V HN 0.466 nan 8.190 nan 0.000 0.455 380 K N 2.176 122.598 120.400 0.036 0.000 2.504 380 K HA 0.058 4.379 4.320 0.001 0.000 0.278 380 K C 0.060 176.669 176.600 0.014 0.000 1.025 380 K CA -0.036 56.264 56.287 0.021 0.000 1.093 380 K CB 0.165 32.677 32.500 0.021 0.000 0.873 380 K HN 0.674 nan 8.250 nan 0.000 0.483 381 M N 5.982 125.585 119.600 0.005 0.000 2.238 381 M HA 0.166 4.646 4.480 0.001 0.000 0.347 381 M C -1.760 174.545 176.300 0.008 0.000 1.173 381 M CA -2.045 53.255 55.300 0.000 0.000 1.147 381 M CB 0.124 32.717 32.600 -0.011 0.000 1.547 381 M HN 0.579 nan 8.290 nan 0.000 0.455 382 P HA 0.100 nan 4.420 nan 0.000 0.272 382 P C 0.215 177.519 177.300 0.007 0.000 1.230 382 P CA -0.150 62.981 63.100 0.052 0.000 0.788 382 P CB 0.736 32.499 31.700 0.105 0.000 0.949 383 E N -0.079 120.110 120.200 -0.019 0.000 2.265 383 E HA -0.134 4.217 4.350 0.001 0.000 0.196 383 E C -0.296 175.986 176.600 -0.528 0.000 0.996 383 E CA 0.924 57.165 56.400 -0.265 0.000 0.832 383 E CB 0.002 29.521 29.700 -0.300 0.000 0.756 383 E HN 0.449 nan 8.360 nan 0.000 0.491 384 Y N -1.276 119.071 120.300 0.078 0.000 2.570 384 Y HA 0.561 5.112 4.550 0.001 0.000 0.345 384 Y C 0.301 176.249 175.900 0.082 0.000 1.014 384 Y CA -0.345 57.801 58.100 0.077 0.000 1.063 384 Y CB 2.511 41.038 38.460 0.111 0.000 1.272 384 Y HN 0.015 nan 8.280 nan 0.000 0.477 385 G N 0.568 109.508 108.800 0.233 0.000 2.697 385 G HA2 0.133 4.093 3.960 0.001 0.000 0.686 385 G HA3 0.133 4.093 3.960 0.001 0.000 0.686 385 G C -1.231 173.733 174.900 0.107 0.000 1.179 385 G CA -1.038 44.166 45.100 0.173 0.000 0.765 385 G HN 0.601 nan 8.290 nan 0.000 0.649 386 T N 1.250 115.870 114.554 0.111 0.000 2.809 386 T HA 0.628 4.978 4.350 0.001 0.000 0.284 386 T C 0.583 175.326 174.700 0.071 0.000 0.992 386 T CA 0.233 62.379 62.100 0.077 0.000 0.957 386 T CB 1.585 70.505 68.868 0.086 0.000 0.942 386 T HN 1.300 nan 8.240 nan 0.000 0.439 387 S N 2.027 117.720 115.700 -0.012 0.000 2.560 387 S HA 0.201 4.672 4.470 0.001 0.000 0.284 387 S C 0.623 175.189 174.600 -0.056 0.000 1.327 387 S CA -0.507 57.613 58.200 -0.132 0.000 1.055 387 S CB -0.144 62.960 63.200 -0.159 0.000 0.868 387 S HN 0.636 nan 8.310 nan 0.000 0.506 388 F N 3.668 123.595 119.950 -0.039 0.000 2.654 388 F HA 0.373 4.900 4.527 0.001 0.000 0.303 388 F C 1.058 176.799 175.800 -0.099 0.000 1.099 388 F CA -0.713 57.245 58.000 -0.069 0.000 1.270 388 F CB -0.313 38.644 39.000 -0.072 0.000 1.024 388 F HN 0.501 nan 8.300 nan 0.000 0.548 389 L N 1.944 123.021 121.223 -0.243 0.000 2.021 389 L HA -0.236 4.104 4.340 0.001 0.000 0.215 389 L C 1.834 178.661 176.870 -0.072 0.000 1.074 389 L CA 2.042 56.785 54.840 -0.161 0.000 0.760 389 L CB -0.885 41.066 42.059 -0.180 0.000 0.889 389 L HN 0.191 nan 8.230 nan 0.000 0.433 390 N N -0.304 118.355 118.700 -0.069 0.000 2.396 390 N HA -0.126 4.614 4.740 0.001 0.000 0.180 390 N C 1.611 177.083 175.510 -0.064 0.000 1.028 390 N CA 0.976 53.989 53.050 -0.061 0.000 0.893 390 N CB -0.109 38.348 38.487 -0.049 0.000 0.967 390 N HN 0.507 nan 8.380 nan 0.000 0.440 391 E N -0.013 120.148 120.200 -0.066 0.000 2.418 391 E HA 0.063 4.413 4.350 0.001 0.000 0.197 391 E C 0.388 176.761 176.600 -0.379 0.000 1.026 391 E CA 0.214 56.539 56.400 -0.124 0.000 0.862 391 E CB 0.176 29.831 29.700 -0.075 0.000 0.799 391 E HN 0.317 nan 8.360 nan 0.000 0.518 392 L N 0.000 121.004 121.223 -0.365 0.000 2.949 392 L HA 0.000 4.340 4.340 0.001 0.000 0.249 392 L CA 0.000 54.506 54.840 -0.557 0.000 0.813 392 L CB 0.000 41.944 42.059 -0.191 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502