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 1qno_1_A DATA FIRST_RESID 1 DATA SEQUENCE ASSFVTISGT QFNIDGKVGY FAGTNCYWCS FLTNHADVDS TFSHISSSGL DATA SEQUENCE KVVRVWGFND VNTQPSPGQI WFQKLSATGS TINTGADGLQ TLDYVVQSAE DATA SEQUENCE QHNLKLIIPF VNNWSDYGGI NAYVNAFGGN ATTWYTNTAA QTQYRKYVQA DATA SEQUENCE VVSRYANSTA IFAWELGNEP RCNGCSTDVI VQWATSVSQY VKSLDSNHLV DATA SEQUENCE TLGDEGLGLS TGDGAYPYTY GEGTDFAKNV QIKSLDFGTF HLYPDSWGTN DATA SEQUENCE YTWGNGWIQT HAAAcLAAGK PcVFEEYGAQ QNPcTNEAPW QTTSLTTRGM DATA SEQUENCE GGDMFWQWGD TFANGAQSNS DPYTVWYNSS NWQcLVKNHV DAIN 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.540 177.584 -0.073 0.000 1.274 1 A CA 0.000 52.004 52.037 -0.055 0.000 0.836 1 A CB 0.000 18.971 19.000 -0.048 0.000 0.831 2 S N -0.622 115.021 115.700 -0.094 0.000 4.333 2 S HA 0.904 5.372 4.470 -0.004 0.000 0.203 2 S C 0.244 174.752 174.600 -0.152 0.000 1.107 2 S CA 0.984 59.109 58.200 -0.125 0.000 1.753 2 S CB 0.078 63.196 63.200 -0.137 0.000 1.009 2 S HN 2.819 nan 8.310 nan 0.000 0.779 3 S N -0.031 115.524 115.700 -0.241 0.000 3.883 3 S HA -0.112 4.356 4.470 -0.004 0.000 0.706 3 S C -0.777 173.662 174.600 -0.269 0.000 1.196 3 S CA -0.650 57.364 58.200 -0.310 0.000 1.261 3 S CB -1.947 61.160 63.200 -0.155 0.000 0.459 3 S HN 0.364 nan 8.310 nan 0.000 0.760 4 F N 0.964 120.871 119.950 -0.071 0.000 2.471 4 F HA 0.464 4.989 4.527 -0.004 0.000 0.353 4 F C 1.250 176.993 175.800 -0.094 0.000 1.113 4 F CA -0.366 57.584 58.000 -0.083 0.000 1.262 4 F CB 0.536 39.453 39.000 -0.138 0.000 1.146 4 F HN 0.586 nan 8.300 nan 0.000 0.578 5 V N 2.768 122.728 119.914 0.076 0.000 2.529 5 V HA 0.256 4.374 4.120 -0.004 0.000 0.292 5 V C 0.397 176.444 176.094 -0.078 0.000 1.028 5 V CA 0.031 62.261 62.300 -0.117 0.000 1.074 5 V CB 0.182 31.739 31.823 -0.443 0.000 0.958 5 V HN 0.975 nan 8.190 nan 0.000 0.481 6 T N 2.926 117.456 114.554 -0.040 0.000 2.742 6 T HA 0.775 5.123 4.350 -0.004 0.000 0.282 6 T C -0.661 174.055 174.700 0.027 0.000 1.025 6 T CA -0.850 61.252 62.100 0.002 0.000 1.020 6 T CB 1.744 70.620 68.868 0.014 0.000 1.317 6 T HN 0.245 nan 8.240 nan 0.000 0.538 7 I N 1.454 122.022 120.570 -0.003 0.000 2.406 7 I HA 0.520 4.688 4.170 -0.004 0.000 0.290 7 I C -0.249 175.833 176.117 -0.058 0.000 0.999 7 I CA -0.645 60.602 61.300 -0.088 0.000 1.124 7 I CB 2.027 39.947 38.000 -0.133 0.000 1.289 7 I HN 0.719 nan 8.210 nan 0.000 0.441 8 S N 4.899 120.559 115.700 -0.067 0.000 2.640 8 S HA 0.720 5.188 4.470 -0.004 0.000 0.320 8 S C 0.295 174.870 174.600 -0.042 0.000 1.097 8 S CA 0.285 58.465 58.200 -0.033 0.000 1.092 8 S CB 0.667 63.862 63.200 -0.008 0.000 0.988 8 S HN 1.102 nan 8.310 nan 0.000 0.470 9 G N 4.151 112.931 108.800 -0.033 0.000 2.583 9 G HA2 -0.310 3.648 3.960 -0.004 0.000 0.292 9 G HA3 -0.310 3.648 3.960 -0.004 0.000 0.292 9 G C 0.526 175.394 174.900 -0.053 0.000 1.203 9 G CA 0.549 45.632 45.100 -0.029 0.000 0.987 9 G HN 1.573 nan 8.290 nan 0.000 0.554 10 T N -0.474 114.053 114.554 -0.046 0.000 3.243 10 T HA 0.559 4.907 4.350 -0.004 0.000 0.264 10 T C 0.549 175.178 174.700 -0.118 0.000 1.000 10 T CA 0.770 62.828 62.100 -0.070 0.000 0.901 10 T CB 0.374 69.232 68.868 -0.016 0.000 1.083 10 T HN 0.692 nan 8.240 nan 0.000 0.559 11 Q N 0.011 119.730 119.800 -0.134 0.000 2.445 11 Q HA 0.630 4.968 4.340 -0.004 0.000 0.281 11 Q C -1.183 174.662 176.000 -0.259 0.000 1.101 11 Q CA -1.088 54.633 55.803 -0.136 0.000 0.833 11 Q CB 1.565 30.315 28.738 0.020 0.000 1.416 11 Q HN 0.288 nan 8.270 nan 0.000 0.451 12 F N 1.043 121.045 119.950 0.086 0.000 2.379 12 F HA 0.263 4.788 4.527 -0.003 0.000 0.332 12 F C 0.608 176.421 175.800 0.022 0.000 1.096 12 F CA -0.565 57.456 58.000 0.035 0.000 1.105 12 F CB 0.773 39.831 39.000 0.098 0.000 1.189 12 F HN 0.322 nan 8.300 nan 0.000 0.515 13 N N 3.650 122.440 118.700 0.150 0.000 2.518 13 N HA 0.352 5.090 4.740 -0.004 0.000 0.254 13 N C -1.401 174.127 175.510 0.029 0.000 0.979 13 N CA -0.201 52.892 53.050 0.072 0.000 0.930 13 N CB 0.441 38.947 38.487 0.032 0.000 1.152 13 N HN 0.540 nan 8.380 nan 0.000 0.505 14 I N 2.672 123.256 120.570 0.023 0.000 2.354 14 I HA 0.172 4.340 4.170 -0.004 0.000 0.286 14 I C -0.094 176.005 176.117 -0.030 0.000 1.007 14 I CA -0.513 60.769 61.300 -0.030 0.000 1.167 14 I CB 0.973 38.951 38.000 -0.035 0.000 1.320 14 I HN 0.385 nan 8.210 nan 0.000 0.458 15 D N 5.240 125.610 120.400 -0.049 0.000 2.911 15 D HA -0.206 4.432 4.640 -0.004 0.000 0.227 15 D C 1.123 177.404 176.300 -0.032 0.000 1.164 15 D CA 1.655 55.624 54.000 -0.052 0.000 0.782 15 D CB -1.038 39.727 40.800 -0.060 0.000 1.094 15 D HN 1.124 nan 8.370 nan 0.000 0.425 16 G N -1.292 107.497 108.800 -0.018 0.000 2.195 16 G HA2 -0.311 3.646 3.960 -0.004 0.000 0.246 16 G HA3 -0.311 3.646 3.960 -0.004 0.000 0.246 16 G C 0.166 175.070 174.900 0.007 0.000 0.984 16 G CA 0.372 45.467 45.100 -0.008 0.000 0.633 16 G HN 0.311 nan 8.290 nan 0.000 0.525 17 K N 0.916 121.325 120.400 0.015 0.000 2.240 17 K HA 0.597 4.914 4.320 -0.004 0.000 0.271 17 K C -0.057 176.577 176.600 0.057 0.000 1.018 17 K CA -0.542 55.765 56.287 0.033 0.000 0.874 17 K CB 2.457 34.978 32.500 0.035 0.000 1.098 17 K HN 0.097 nan 8.250 nan 0.000 0.458 18 V N 2.091 122.041 119.914 0.060 0.000 2.383 18 V HA 0.689 4.807 4.120 -0.004 0.000 0.275 18 V C 0.633 176.790 176.094 0.105 0.000 1.036 18 V CA -0.211 62.136 62.300 0.078 0.000 0.889 18 V CB 0.961 32.815 31.823 0.052 0.000 0.985 18 V HN 0.997 nan 8.190 nan 0.000 0.459 19 G N 3.376 112.269 108.800 0.155 0.000 2.339 19 G HA2 0.223 4.181 3.960 -0.004 0.000 0.302 19 G HA3 0.223 4.181 3.960 -0.004 0.000 0.302 19 G C -1.499 173.563 174.900 0.271 0.000 1.425 19 G CA -0.918 44.292 45.100 0.184 0.000 0.899 19 G HN 0.517 nan 8.290 nan 0.000 0.619 20 Y N 0.379 120.762 120.300 0.138 0.000 2.805 20 Y HA 0.421 4.969 4.550 -0.004 0.000 0.337 20 Y C 0.569 176.562 175.900 0.154 0.000 1.252 20 Y CA 0.893 59.067 58.100 0.122 0.000 1.515 20 Y CB 0.309 38.796 38.460 0.045 0.000 1.305 20 Y HN 0.661 nan 8.280 nan 0.000 0.600 21 F N 2.774 122.533 119.950 -0.318 0.000 2.577 21 F HA 0.907 5.432 4.527 -0.004 0.000 0.318 21 F C -1.234 174.442 175.800 -0.207 0.000 1.065 21 F CA -1.348 56.551 58.000 -0.169 0.000 0.929 21 F CB 1.004 39.908 39.000 -0.160 0.000 1.237 21 F HN 0.541 nan 8.300 nan 0.000 0.468 22 A N 1.234 124.124 122.820 0.116 0.000 2.350 22 A HA 0.949 5.267 4.320 -0.004 0.000 0.324 22 A C -0.253 177.464 177.584 0.222 0.000 1.118 22 A CA -0.162 51.951 52.037 0.127 0.000 0.783 22 A CB 0.958 20.064 19.000 0.176 0.000 1.236 22 A HN 1.552 nan 8.150 nan 0.000 0.457 23 G N -0.934 107.954 108.800 0.147 0.000 3.021 23 G HA2 0.716 4.674 3.960 -0.004 0.000 0.290 23 G HA3 0.716 4.674 3.960 -0.004 0.000 0.290 23 G C -0.749 174.041 174.900 -0.182 0.000 1.291 23 G CA 0.205 45.291 45.100 -0.024 0.000 0.834 23 G HN 1.174 nan 8.290 nan 0.000 0.564 24 T N -0.747 113.564 114.554 -0.405 0.000 2.821 24 T HA 0.460 4.808 4.350 -0.004 0.000 0.306 24 T C -1.642 172.706 174.700 -0.586 0.000 1.313 24 T CA -0.746 60.920 62.100 -0.724 0.000 1.012 24 T CB 1.534 69.906 68.868 -0.827 0.000 1.298 24 T HN 0.404 nan 8.240 nan 0.000 0.502 25 N N 1.124 119.443 118.700 -0.635 0.000 2.438 25 N HA 0.467 5.205 4.740 -0.004 0.000 0.282 25 N C -1.093 173.981 175.510 -0.727 0.000 1.037 25 N CA -0.204 52.513 53.050 -0.555 0.000 0.942 25 N CB 1.553 39.776 38.487 -0.440 0.000 1.136 25 N HN 0.548 nan 8.380 nan 0.000 0.481 26 C N 4.974 123.797 119.300 -0.795 0.000 3.493 26 C HA 0.193 4.651 4.460 -0.004 0.000 0.228 26 C C 1.318 175.574 174.990 -1.224 0.000 1.227 26 C CA -0.796 57.523 59.018 -1.164 0.000 1.291 26 C CB -1.747 25.313 27.740 -1.133 0.000 1.820 26 C HN 0.907 nan 8.230 nan 0.000 0.547 27 Y N 2.180 121.769 120.300 -1.186 0.000 2.165 27 Y HA -0.061 4.487 4.550 -0.004 0.000 0.286 27 Y C 1.968 177.242 175.900 -1.043 0.000 1.155 27 Y CA 1.970 59.280 58.100 -1.316 0.000 1.164 27 Y CB -0.678 36.593 38.460 -1.981 0.000 0.978 27 Y HN 0.698 nan 8.280 nan 0.000 0.513 28 W N -0.479 119.899 121.300 -1.537 0.000 2.595 28 W HA -0.025 4.634 4.660 -0.002 0.000 0.257 28 W C 1.663 177.805 176.519 -0.628 0.000 1.267 28 W CA 0.351 57.051 57.345 -1.076 0.000 1.300 28 W CB -1.535 27.351 29.460 -0.955 0.000 1.120 28 W HN 0.187 nan 8.180 nan 0.000 0.618 29 C N 1.637 120.399 119.300 -0.898 0.000 2.403 29 C HA -0.225 4.233 4.460 -0.004 0.000 0.277 29 C C 2.947 177.694 174.990 -0.406 0.000 1.248 29 C CA 2.105 60.746 59.018 -0.629 0.000 1.762 29 C CB -1.350 25.941 27.740 -0.750 0.000 2.014 29 C HN 0.404 nan 8.230 nan 0.000 0.486 30 S N 0.326 115.707 115.700 -0.531 0.000 2.442 30 S HA -0.072 4.395 4.470 -0.004 0.000 0.236 30 S C 0.917 175.510 174.600 -0.012 0.000 1.007 30 S CA 1.208 59.214 58.200 -0.324 0.000 0.965 30 S CB -0.286 62.603 63.200 -0.519 0.000 0.773 30 S HN 0.637 nan 8.310 nan 0.000 0.504 31 F N 0.819 120.791 119.950 0.037 0.000 2.653 31 F HA 0.428 4.953 4.527 -0.004 0.000 0.304 31 F C 0.321 176.156 175.800 0.058 0.000 1.092 31 F CA -1.254 56.778 58.000 0.052 0.000 1.279 31 F CB -0.755 38.255 39.000 0.018 0.000 1.044 31 F HN -0.003 nan 8.300 nan 0.000 0.564 32 L N 1.369 122.682 121.223 0.151 0.000 2.418 32 L HA 0.103 4.441 4.340 -0.004 0.000 0.274 32 L C 1.590 178.482 176.870 0.036 0.000 1.135 32 L CA 0.026 54.885 54.840 0.031 0.000 0.870 32 L CB 0.797 42.805 42.059 -0.085 0.000 1.154 32 L HN 0.212 nan 8.230 nan 0.000 0.462 33 T N -1.572 112.984 114.554 0.003 0.000 3.057 33 T HA -0.003 4.345 4.350 -0.004 0.000 0.254 33 T C 0.829 175.466 174.700 -0.105 0.000 1.094 33 T CA -0.165 61.929 62.100 -0.010 0.000 1.088 33 T CB -0.098 68.768 68.868 -0.004 0.000 0.934 33 T HN 0.399 nan 8.240 nan 0.000 0.497 34 N N 1.138 119.752 118.700 -0.143 0.000 2.414 34 N HA 0.188 4.926 4.740 -0.004 0.000 0.256 34 N C 0.658 176.078 175.510 -0.149 0.000 1.029 34 N CA -0.243 52.692 53.050 -0.192 0.000 0.948 34 N CB 0.616 38.993 38.487 -0.183 0.000 1.102 34 N HN 0.372 nan 8.380 nan 0.000 0.496 35 H N 2.188 121.053 119.070 -0.342 0.000 2.387 35 H HA -0.154 4.400 4.556 -0.004 0.000 0.299 35 H C 1.477 176.686 175.328 -0.198 0.000 1.099 35 H CA 1.420 57.163 56.048 -0.508 0.000 1.315 35 H CB 0.460 29.754 29.762 -0.780 0.000 1.380 35 H HN 0.721 nan 8.280 nan 0.000 0.513 36 A N 0.967 123.784 122.820 -0.005 0.000 1.972 36 A HA -0.189 4.129 4.320 -0.004 0.000 0.219 36 A C 1.706 179.274 177.584 -0.027 0.000 1.169 36 A CA 1.894 53.938 52.037 0.012 0.000 0.635 36 A CB -0.133 18.871 19.000 0.006 0.000 0.810 36 A HN 0.347 nan 8.150 nan 0.000 0.446 37 D N -0.472 119.852 120.400 -0.128 0.000 2.183 37 D HA -0.043 4.595 4.640 -0.004 0.000 0.203 37 D C 2.049 178.257 176.300 -0.154 0.000 0.969 37 D CA 1.107 54.974 54.000 -0.222 0.000 0.842 37 D CB -0.318 40.035 40.800 -0.745 0.000 0.957 37 D HN 0.242 nan 8.370 nan 0.000 0.484 38 V N 1.630 121.432 119.914 -0.188 0.000 2.261 38 V HA -0.208 3.909 4.120 -0.004 0.000 0.246 38 V C 1.944 177.797 176.094 -0.402 0.000 1.047 38 V CA 1.710 63.790 62.300 -0.367 0.000 1.015 38 V CB -0.390 31.288 31.823 -0.240 0.000 0.642 38 V HN 0.072 nan 8.190 nan 0.000 0.446 39 D N 0.624 120.947 120.400 -0.128 0.000 2.104 39 D HA -0.149 4.489 4.640 -0.004 0.000 0.194 39 D C 2.459 178.639 176.300 -0.200 0.000 0.994 39 D CA 1.983 55.941 54.000 -0.070 0.000 0.830 39 D CB -0.362 40.537 40.800 0.165 0.000 0.959 39 D HN 0.599 nan 8.370 nan 0.000 0.452 40 S N -0.133 115.480 115.700 -0.144 0.000 2.368 40 S HA -0.139 4.328 4.470 -0.004 0.000 0.225 40 S C 2.097 176.352 174.600 -0.575 0.000 1.030 40 S CA 1.617 59.642 58.200 -0.292 0.000 0.999 40 S CB -0.817 62.329 63.200 -0.091 0.000 0.844 40 S HN 0.127 nan 8.310 nan 0.000 0.459 41 T N 1.856 116.260 114.554 -0.250 0.000 2.746 41 T HA 0.055 4.403 4.350 -0.004 0.000 0.267 41 T C 1.340 175.917 174.700 -0.205 0.000 1.039 41 T CA 1.240 63.283 62.100 -0.095 0.000 1.142 41 T CB -0.460 68.466 68.868 0.097 0.000 0.866 41 T HN 0.347 nan 8.240 nan 0.000 0.444 42 F N 1.354 120.974 119.950 -0.550 0.000 2.259 42 F HA 0.075 4.599 4.527 -0.004 0.000 0.298 42 F C 2.831 178.201 175.800 -0.716 0.000 1.088 42 F CA 0.020 57.590 58.000 -0.716 0.000 1.358 42 F CB -1.327 37.163 39.000 -0.850 0.000 1.040 42 F HN 0.134 nan 8.300 nan 0.000 0.505 43 S N -0.780 114.622 115.700 -0.497 0.000 2.368 43 S HA -0.205 4.263 4.470 -0.004 0.000 0.225 43 S C 1.924 176.478 174.600 -0.077 0.000 1.030 43 S CA 1.492 59.590 58.200 -0.171 0.000 0.999 43 S CB -0.462 62.692 63.200 -0.076 0.000 0.844 43 S HN 0.542 nan 8.310 nan 0.000 0.459 44 H N 0.246 119.212 119.070 -0.173 0.000 2.353 44 H HA 0.038 4.592 4.556 -0.004 0.000 0.300 44 H C 2.153 177.404 175.328 -0.128 0.000 1.090 44 H CA 1.555 57.415 56.048 -0.313 0.000 1.327 44 H CB -0.106 29.187 29.762 -0.781 0.000 1.383 44 H HN 0.358 nan 8.280 nan 0.000 0.508 45 I N -0.102 120.314 120.570 -0.258 0.000 2.226 45 I HA -0.282 3.886 4.170 -0.004 0.000 0.245 45 I C 2.705 178.709 176.117 -0.187 0.000 1.100 45 I CA 1.122 62.113 61.300 -0.516 0.000 1.374 45 I CB -0.249 37.220 38.000 -0.886 0.000 1.057 45 I HN 0.218 nan 8.210 nan 0.000 0.413 46 S N 0.532 116.139 115.700 -0.156 0.000 2.368 46 S HA -0.164 4.304 4.470 -0.004 0.000 0.224 46 S C 2.253 176.886 174.600 0.056 0.000 1.029 46 S CA 1.727 59.889 58.200 -0.065 0.000 0.988 46 S CB -0.314 62.867 63.200 -0.032 0.000 0.838 46 S HN 0.580 nan 8.310 nan 0.000 0.462 47 S N 0.510 116.285 115.700 0.124 0.000 2.447 47 S HA 0.015 4.483 4.470 -0.004 0.000 0.233 47 S C 1.828 176.605 174.600 0.295 0.000 1.006 47 S CA 1.272 59.595 58.200 0.204 0.000 0.957 47 S CB -0.638 62.706 63.200 0.240 0.000 0.773 47 S HN 0.443 nan 8.310 nan 0.000 0.507 48 S N 0.729 116.656 115.700 0.379 0.000 2.515 48 S HA 0.350 4.818 4.470 -0.004 0.000 0.231 48 S C 1.531 176.287 174.600 0.259 0.000 0.987 48 S CA 0.600 59.098 58.200 0.497 0.000 0.936 48 S CB -0.371 63.305 63.200 0.794 0.000 0.766 48 S HN 1.144 nan 8.310 nan 0.000 0.528 49 G N 0.871 109.769 108.800 0.162 0.000 2.141 49 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.231 49 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.231 49 G C -0.054 174.884 174.900 0.062 0.000 0.984 49 G CA -0.307 44.848 45.100 0.092 0.000 0.660 49 G HN 0.428 nan 8.290 nan 0.000 0.525 50 L N -0.156 121.094 121.223 0.046 0.000 2.349 50 L HA 0.445 4.783 4.340 -0.004 0.000 0.275 50 L C 1.541 178.351 176.870 -0.100 0.000 1.115 50 L CA -0.274 54.564 54.840 -0.003 0.000 0.820 50 L CB 1.103 43.141 42.059 -0.035 0.000 1.135 50 L HN 0.067 nan 8.230 nan 0.000 0.445 51 K N 1.546 121.886 120.400 -0.100 0.000 2.367 51 K HA 0.250 4.567 4.320 -0.004 0.000 0.195 51 K C -0.477 175.919 176.600 -0.340 0.000 1.060 51 K CA 0.188 56.361 56.287 -0.190 0.000 1.022 51 K CB 1.021 33.442 32.500 -0.132 0.000 0.894 51 K HN 0.338 nan 8.250 nan 0.000 0.540 52 V N 1.602 121.279 119.914 -0.394 0.000 2.789 52 V HA 0.368 4.486 4.120 -0.004 0.000 0.311 52 V C -0.704 175.093 176.094 -0.495 0.000 1.073 52 V CA -0.981 60.993 62.300 -0.544 0.000 0.921 52 V CB 2.284 33.574 31.823 -0.889 0.000 1.009 52 V HN -0.252 nan 8.190 nan 0.000 0.426 53 V N 3.730 123.330 119.914 -0.523 0.000 2.588 53 V HA 0.553 4.671 4.120 -0.004 0.000 0.304 53 V C -0.204 175.653 176.094 -0.395 0.000 1.042 53 V CA -0.832 61.161 62.300 -0.511 0.000 0.877 53 V CB 2.049 33.493 31.823 -0.632 0.000 0.996 53 V HN 0.882 nan 8.190 nan 0.000 0.425 54 R N 3.489 123.788 120.500 -0.337 0.000 2.207 54 R HA 0.724 5.061 4.340 -0.004 0.000 0.334 54 R C -0.889 175.286 176.300 -0.209 0.000 1.013 54 R CA -0.291 55.700 56.100 -0.183 0.000 0.858 54 R CB 1.350 31.612 30.300 -0.062 0.000 1.094 54 R HN 0.723 nan 8.270 nan 0.000 0.457 55 V N 1.157 121.009 119.914 -0.104 0.000 2.823 55 V HA 0.574 4.691 4.120 -0.004 0.000 0.312 55 V C -0.579 175.615 176.094 0.167 0.000 1.072 55 V CA -1.380 60.823 62.300 -0.162 0.000 0.937 55 V CB 1.414 33.109 31.823 -0.212 0.000 1.013 55 V HN 0.784 nan 8.190 nan 0.000 0.430 56 W N 1.981 123.123 121.300 -0.263 0.000 2.210 56 W HA 0.492 5.148 4.660 -0.007 0.000 0.330 56 W C 1.268 177.701 176.519 -0.144 0.000 1.334 56 W CA -0.305 56.809 57.345 -0.383 0.000 1.227 56 W CB 1.277 30.279 29.460 -0.764 0.000 1.178 56 W HN 0.946 nan 8.180 nan 0.000 0.560 57 G N 3.116 112.090 108.800 0.289 0.000 3.284 57 G HA2 0.172 4.130 3.960 -0.004 0.000 0.236 57 G HA3 0.172 4.130 3.960 -0.004 0.000 0.236 57 G C -0.650 174.781 174.900 0.885 0.000 1.158 57 G CA -0.197 45.236 45.100 0.556 0.000 0.774 57 G HN 0.414 nan 8.290 nan 0.000 0.545 58 F N -1.837 118.613 119.950 0.833 0.000 2.613 58 F HA 0.754 5.277 4.527 -0.005 0.000 0.314 58 F C -0.999 175.110 175.800 0.515 0.000 1.075 58 F CA -2.289 56.141 58.000 0.717 0.000 0.945 58 F CB 1.775 41.025 39.000 0.417 0.000 1.310 58 F HN -0.168 nan 8.300 nan 0.000 0.467 59 N N 1.622 120.616 118.700 0.491 0.000 3.151 59 N HA 0.102 4.840 4.740 -0.004 0.000 0.219 59 N C -2.269 173.375 175.510 0.223 0.000 1.434 59 N CA -0.205 52.931 53.050 0.144 0.000 0.767 59 N CB 0.663 38.791 38.487 -0.597 0.000 1.564 59 N HN 0.748 nan 8.380 nan 0.000 0.612 60 D N 1.264 121.820 120.400 0.260 0.000 2.198 60 D HA 0.408 5.046 4.640 -0.004 0.000 0.245 60 D C 0.380 176.731 176.300 0.085 0.000 1.079 60 D CA -0.103 53.978 54.000 0.134 0.000 0.854 60 D CB 2.463 43.300 40.800 0.061 0.000 1.148 60 D HN 0.271 nan 8.370 nan 0.000 0.456 61 V N 0.124 120.066 119.914 0.048 0.000 3.040 61 V HA 0.487 4.605 4.120 -0.004 0.000 0.312 61 V C 0.096 176.134 176.094 -0.092 0.000 1.115 61 V CA -0.780 61.505 62.300 -0.026 0.000 0.998 61 V CB 2.100 33.889 31.823 -0.056 0.000 1.042 61 V HN 0.391 nan 8.190 nan 0.000 0.433 62 N N 0.247 118.875 118.700 -0.119 0.000 2.414 62 N HA 0.161 4.899 4.740 -0.004 0.000 0.177 62 N C 0.387 175.803 175.510 -0.157 0.000 1.062 62 N CA 0.701 53.665 53.050 -0.143 0.000 0.890 62 N CB 0.637 39.045 38.487 -0.131 0.000 1.070 62 N HN 0.881 nan 8.380 nan 0.000 0.454 63 T N -0.231 114.221 114.554 -0.170 0.000 2.876 63 T HA 0.195 4.543 4.350 -0.004 0.000 0.289 63 T C -1.158 173.363 174.700 -0.300 0.000 1.014 63 T CA -0.698 61.284 62.100 -0.196 0.000 0.986 63 T CB 1.309 70.091 68.868 -0.143 0.000 1.021 63 T HN -0.092 nan 8.240 nan 0.000 0.458 64 Q N 4.357 123.930 119.800 -0.379 0.000 2.311 64 Q HA 0.235 4.573 4.340 -0.004 0.000 0.272 64 Q C -1.826 173.948 176.000 -0.378 0.000 1.012 64 Q CA -1.329 54.117 55.803 -0.596 0.000 0.891 64 Q CB 0.814 29.216 28.738 -0.559 0.000 1.201 64 Q HN 0.562 nan 8.270 nan 0.000 0.391 65 P HA 0.013 nan 4.420 nan 0.000 0.274 65 P C -0.747 176.501 177.300 -0.086 0.000 1.260 65 P CA -0.306 62.697 63.100 -0.162 0.000 0.793 65 P CB 0.452 32.112 31.700 -0.068 0.000 1.048 66 S N 1.063 116.746 115.700 -0.029 0.000 2.558 66 S HA 0.087 4.555 4.470 -0.004 0.000 0.293 66 S C -2.080 172.545 174.600 0.041 0.000 1.292 66 S CA -0.411 57.790 58.200 0.002 0.000 1.063 66 S CB -1.325 61.882 63.200 0.011 0.000 0.831 66 S HN 0.371 nan 8.310 nan 0.000 0.499 67 P HA 0.093 nan 4.420 nan 0.000 0.261 67 P C 1.099 178.453 177.300 0.091 0.000 1.165 67 P CA 1.349 64.499 63.100 0.083 0.000 0.759 67 P CB -0.022 31.714 31.700 0.060 0.000 0.772 68 G N 1.413 110.288 108.800 0.127 0.000 2.258 68 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.233 68 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.233 68 G C 0.138 175.117 174.900 0.131 0.000 1.006 68 G CA -0.427 44.739 45.100 0.110 0.000 0.620 68 G HN 0.516 nan 8.290 nan 0.000 0.511 69 Q N 0.509 120.399 119.800 0.150 0.000 2.373 69 Q HA 0.559 4.896 4.340 -0.004 0.000 0.255 69 Q C 0.760 176.908 176.000 0.248 0.000 0.980 69 Q CA -0.022 55.875 55.803 0.157 0.000 0.882 69 Q CB 0.913 29.722 28.738 0.118 0.000 1.249 69 Q HN 0.559 nan 8.270 nan 0.000 0.438 70 I N 3.624 124.302 120.570 0.180 0.000 2.474 70 I HA 0.250 4.418 4.170 -0.004 0.000 0.287 70 I C -0.243 176.002 176.117 0.213 0.000 1.048 70 I CA -0.041 61.362 61.300 0.173 0.000 1.383 70 I CB 0.503 38.560 38.000 0.094 0.000 1.412 70 I HN 0.418 nan 8.210 nan 0.000 0.531 71 W N 5.727 127.056 121.300 0.049 0.000 3.425 71 W HA 0.338 4.996 4.660 -0.003 0.000 0.318 71 W C -1.649 175.053 176.519 0.305 0.000 1.201 71 W CA -0.881 56.493 57.345 0.048 0.000 1.212 71 W CB 0.193 29.688 29.460 0.058 0.000 1.355 71 W HN 0.303 nan 8.180 nan 0.000 0.515 72 F N 1.541 121.634 119.950 0.239 0.000 2.622 72 F HA 0.240 4.767 4.527 -0.001 0.000 0.288 72 F C 0.809 176.735 175.800 0.210 0.000 1.120 72 F CA 0.225 58.326 58.000 0.168 0.000 1.423 72 F CB 0.172 39.388 39.000 0.359 0.000 1.127 72 F HN 0.428 nan 8.300 nan 0.000 0.588 73 Q N 0.258 120.357 119.800 0.498 0.000 2.320 73 Q HA 0.299 4.637 4.340 -0.004 0.000 0.272 73 Q C -1.342 174.905 176.000 0.411 0.000 1.023 73 Q CA -0.737 55.303 55.803 0.394 0.000 0.855 73 Q CB 2.473 31.249 28.738 0.063 0.000 1.367 73 Q HN 0.061 nan 8.270 nan 0.000 0.406 74 K N 4.730 125.363 120.400 0.388 0.000 2.394 74 K HA 0.444 4.762 4.320 -0.004 0.000 0.260 74 K C -1.418 175.204 176.600 0.035 0.000 0.967 74 K CA -0.469 55.897 56.287 0.132 0.000 0.855 74 K CB 0.752 33.247 32.500 -0.010 0.000 1.101 74 K HN 0.611 nan 8.250 nan 0.000 0.433 75 L N 3.262 124.435 121.223 -0.084 0.000 2.260 75 L HA 0.343 4.680 4.340 -0.004 0.000 0.289 75 L C -0.094 176.628 176.870 -0.246 0.000 1.057 75 L CA -0.420 54.315 54.840 -0.176 0.000 0.811 75 L CB 1.504 43.355 42.059 -0.346 0.000 1.184 75 L HN 0.602 nan 8.230 nan 0.000 0.429 76 S N 1.728 117.306 115.700 -0.204 0.000 2.549 76 S HA 0.618 5.086 4.470 -0.004 0.000 0.280 76 S C 0.686 175.170 174.600 -0.194 0.000 1.109 76 S CA 0.002 58.077 58.200 -0.209 0.000 0.905 76 S CB 1.947 65.096 63.200 -0.085 0.000 1.081 76 S HN 0.642 nan 8.310 nan 0.000 0.477 77 A N 2.245 124.949 122.820 -0.194 0.000 2.070 77 A HA 0.034 4.352 4.320 -0.004 0.000 0.220 77 A C 1.737 179.360 177.584 0.066 0.000 1.159 77 A CA 2.015 54.031 52.037 -0.035 0.000 0.656 77 A CB -1.043 17.934 19.000 -0.038 0.000 0.800 77 A HN 1.254 nan 8.150 nan 0.000 0.453 78 T N -3.888 110.684 114.554 0.030 0.000 3.186 78 T HA 0.482 4.830 4.350 -0.004 0.000 0.257 78 T C 0.537 175.274 174.700 0.061 0.000 1.029 78 T CA 0.469 62.596 62.100 0.045 0.000 0.916 78 T CB -0.091 68.788 68.868 0.019 0.000 1.041 78 T HN 1.698 nan 8.240 nan 0.000 0.562 79 G N 0.509 109.364 108.800 0.092 0.000 3.305 79 G HA2 0.189 4.147 3.960 -0.004 0.000 0.649 79 G HA3 0.189 4.147 3.960 -0.004 0.000 0.649 79 G C -0.630 174.333 174.900 0.105 0.000 1.255 79 G CA -0.861 44.301 45.100 0.104 0.000 1.137 79 G HN 0.357 nan 8.290 nan 0.000 0.535 80 S N 0.610 116.400 115.700 0.150 0.000 2.632 80 S HA 0.882 5.350 4.470 -0.004 0.000 0.271 80 S C 0.418 175.121 174.600 0.172 0.000 1.260 80 S CA -0.206 58.090 58.200 0.159 0.000 1.010 80 S CB 1.588 64.923 63.200 0.225 0.000 0.965 80 S HN 0.879 nan 8.310 nan 0.000 0.534 81 T N 1.928 116.610 114.554 0.215 0.000 2.886 81 T HA 0.511 4.859 4.350 -0.004 0.000 0.292 81 T C -0.527 174.368 174.700 0.324 0.000 1.012 81 T CA -0.404 61.853 62.100 0.262 0.000 0.982 81 T CB 0.763 69.827 68.868 0.327 0.000 1.018 81 T HN 0.403 nan 8.240 nan 0.000 0.451 82 I N 3.360 124.075 120.570 0.242 0.000 2.321 82 I HA 0.308 4.476 4.170 -0.004 0.000 0.291 82 I C 0.102 176.262 176.117 0.072 0.000 0.998 82 I CA -0.779 60.658 61.300 0.230 0.000 1.227 82 I CB 1.080 39.225 38.000 0.242 0.000 1.368 82 I HN 0.447 nan 8.210 nan 0.000 0.466 83 N N 4.470 123.105 118.700 -0.108 0.000 2.406 83 N HA 0.113 4.851 4.740 -0.004 0.000 0.251 83 N C 0.591 175.976 175.510 -0.209 0.000 1.069 83 N CA -0.192 52.615 53.050 -0.404 0.000 0.947 83 N CB 0.827 38.550 38.487 -1.274 0.000 1.111 83 N HN 0.658 nan 8.380 nan 0.000 0.497 84 T N -0.183 114.293 114.554 -0.130 0.000 3.134 84 T HA 0.341 4.689 4.350 -0.004 0.000 0.260 84 T C 0.957 175.617 174.700 -0.067 0.000 1.027 84 T CA -0.518 61.531 62.100 -0.086 0.000 0.913 84 T CB -0.133 68.701 68.868 -0.056 0.000 1.046 84 T HN 0.297 nan 8.240 nan 0.000 0.553 85 G N 0.517 109.261 108.800 -0.093 0.000 2.553 85 G HA2 0.520 4.478 3.960 -0.004 0.000 0.278 85 G HA3 0.520 4.478 3.960 -0.004 0.000 0.278 85 G C 1.217 176.104 174.900 -0.022 0.000 1.349 85 G CA -0.343 44.728 45.100 -0.049 0.000 1.037 85 G HN 0.336 nan 8.290 nan 0.000 0.508 86 A N -0.420 122.406 122.820 0.009 0.000 1.969 86 A HA -0.012 4.306 4.320 -0.004 0.000 0.218 86 A C 1.746 179.362 177.584 0.053 0.000 1.169 86 A CA 2.108 54.167 52.037 0.036 0.000 0.635 86 A CB -0.312 18.707 19.000 0.032 0.000 0.810 86 A HN 0.586 nan 8.150 nan 0.000 0.445 87 D N -1.263 119.157 120.400 0.034 0.000 2.325 87 D HA 0.309 4.947 4.640 -0.004 0.000 0.225 87 D C 0.853 177.160 176.300 0.012 0.000 1.096 87 D CA 0.702 54.738 54.000 0.059 0.000 0.844 87 D CB -0.273 40.587 40.800 0.100 0.000 0.925 87 D HN 0.312 nan 8.370 nan 0.000 0.513 88 G N -0.131 108.668 108.800 -0.001 0.000 3.234 88 G HA2 0.331 4.289 3.960 -0.004 0.000 0.159 88 G HA3 0.331 4.289 3.960 -0.004 0.000 0.159 88 G C 0.638 175.607 174.900 0.115 0.000 1.175 88 G CA -0.758 44.354 45.100 0.020 0.000 0.900 88 G HN 0.130 nan 8.290 nan 0.000 0.621 89 L N 0.518 121.661 121.223 -0.134 0.000 2.450 89 L HA -0.083 4.254 4.340 -0.004 0.000 0.224 89 L C 2.909 179.734 176.870 -0.074 0.000 1.149 89 L CA 0.720 55.364 54.840 -0.327 0.000 0.816 89 L CB -0.224 41.661 42.059 -0.290 0.000 0.932 89 L HN 0.499 nan 8.230 nan 0.000 0.449 90 Q N -0.520 119.288 119.800 0.014 0.000 2.226 90 Q HA -0.192 4.146 4.340 -0.004 0.000 0.204 90 Q C 2.324 178.412 176.000 0.147 0.000 0.975 90 Q CA 1.959 57.812 55.803 0.084 0.000 0.866 90 Q CB -0.187 28.599 28.738 0.081 0.000 0.915 90 Q HN 0.679 nan 8.270 nan 0.000 0.440 91 T N -0.929 113.737 114.554 0.186 0.000 2.857 91 T HA -0.112 4.236 4.350 -0.004 0.000 0.266 91 T C 1.757 176.581 174.700 0.206 0.000 1.048 91 T CA 0.676 62.921 62.100 0.241 0.000 1.139 91 T CB -0.170 68.887 68.868 0.316 0.000 0.874 91 T HN 0.146 nan 8.240 nan 0.000 0.455 92 L N 1.761 123.076 121.223 0.152 0.000 2.093 92 L HA 0.064 4.402 4.340 -0.004 0.000 0.208 92 L C 1.890 178.793 176.870 0.056 0.000 1.085 92 L CA 1.747 56.636 54.840 0.081 0.000 0.755 92 L CB -0.828 41.226 42.059 -0.009 0.000 0.904 92 L HN 0.107 nan 8.230 nan 0.000 0.435 93 D N -1.312 119.180 120.400 0.153 0.000 2.158 93 D HA -0.281 4.357 4.640 -0.004 0.000 0.197 93 D C 1.951 178.276 176.300 0.042 0.000 0.995 93 D CA 1.560 55.668 54.000 0.180 0.000 0.846 93 D CB -0.260 40.656 40.800 0.192 0.000 0.941 93 D HN 0.470 nan 8.370 nan 0.000 0.456 94 Y N 1.034 121.290 120.300 -0.072 0.000 2.314 94 Y HA -0.139 4.409 4.550 -0.004 0.000 0.293 94 Y C 2.193 177.982 175.900 -0.184 0.000 1.129 94 Y CA 0.693 58.678 58.100 -0.192 0.000 1.201 94 Y CB -0.100 38.142 38.460 -0.363 0.000 0.999 94 Y HN -0.214 nan 8.280 nan 0.000 0.541 95 V N -1.125 118.720 119.914 -0.115 0.000 2.343 95 V HA -0.318 3.800 4.120 -0.004 0.000 0.247 95 V C 2.258 178.267 176.094 -0.143 0.000 1.051 95 V CA 1.826 64.028 62.300 -0.163 0.000 1.036 95 V CB -0.819 30.933 31.823 -0.119 0.000 0.654 95 V HN 0.292 nan 8.190 nan 0.000 0.451 96 V N -0.634 119.131 119.914 -0.248 0.000 2.307 96 V HA -0.321 3.797 4.120 -0.004 0.000 0.245 96 V C 2.426 178.381 176.094 -0.231 0.000 1.045 96 V CA 2.074 64.190 62.300 -0.307 0.000 1.024 96 V CB -0.757 30.737 31.823 -0.549 0.000 0.651 96 V HN 0.557 nan 8.190 nan 0.000 0.449 97 Q N -0.225 119.415 119.800 -0.267 0.000 2.077 97 Q HA -0.256 4.082 4.340 -0.004 0.000 0.206 97 Q C 2.552 178.355 176.000 -0.327 0.000 0.989 97 Q CA 2.262 57.882 55.803 -0.305 0.000 0.853 97 Q CB -0.414 28.077 28.738 -0.411 0.000 0.907 97 Q HN 0.596 nan 8.270 nan 0.000 0.418 98 S N -0.343 115.106 115.700 -0.419 0.000 2.383 98 S HA -0.135 4.332 4.470 -0.004 0.000 0.227 98 S C 1.932 176.668 174.600 0.227 0.000 1.026 98 S CA 0.977 59.110 58.200 -0.112 0.000 0.981 98 S CB -0.212 62.847 63.200 -0.235 0.000 0.818 98 S HN 0.459 nan 8.310 nan 0.000 0.472 99 A N 1.232 124.117 122.820 0.109 0.000 1.877 99 A HA -0.118 4.200 4.320 -0.004 0.000 0.216 99 A C 1.947 179.458 177.584 -0.120 0.000 1.186 99 A CA 1.751 53.726 52.037 -0.103 0.000 0.620 99 A CB -0.827 18.038 19.000 -0.225 0.000 0.822 99 A HN 0.706 nan 8.150 nan 0.000 0.443 100 E N -0.349 119.775 120.200 -0.126 0.000 2.085 100 E HA -0.259 4.088 4.350 -0.004 0.000 0.194 100 E C 2.286 178.807 176.600 -0.131 0.000 0.994 100 E CA 1.552 57.874 56.400 -0.129 0.000 0.801 100 E CB -0.242 29.386 29.700 -0.121 0.000 0.743 100 E HN 0.738 nan 8.360 nan 0.000 0.453 101 Q N -0.306 119.407 119.800 -0.145 0.000 2.119 101 Q HA -0.143 4.195 4.340 -0.004 0.000 0.201 101 Q C 1.256 177.078 176.000 -0.298 0.000 0.972 101 Q CA 1.193 56.858 55.803 -0.231 0.000 0.847 101 Q CB -0.026 28.528 28.738 -0.307 0.000 0.903 101 Q HN 0.463 nan 8.270 nan 0.000 0.433 102 H N -0.129 118.874 119.070 -0.112 0.000 2.529 102 H HA 0.148 4.702 4.556 -0.003 0.000 0.277 102 H C -0.314 174.920 175.328 -0.157 0.000 1.004 102 H CA -0.136 55.842 56.048 -0.117 0.000 1.167 102 H CB 0.429 30.127 29.762 -0.108 0.000 1.445 102 H HN 0.167 nan 8.280 nan 0.000 0.554 103 N N 0.437 119.084 118.700 -0.087 0.000 2.754 103 N HA -0.169 4.569 4.740 -0.004 0.000 0.248 103 N C -0.989 174.421 175.510 -0.166 0.000 1.093 103 N CA 0.554 53.535 53.050 -0.115 0.000 0.699 103 N CB -1.521 36.915 38.487 -0.086 0.000 1.016 103 N HN 0.376 nan 8.380 nan 0.000 0.552 104 L N -0.266 120.815 121.223 -0.236 0.000 2.322 104 L HA 0.518 4.856 4.340 -0.004 0.000 0.269 104 L C 0.532 177.205 176.870 -0.329 0.000 1.012 104 L CA -0.800 53.828 54.840 -0.353 0.000 0.815 104 L CB 1.338 43.031 42.059 -0.610 0.000 1.295 104 L HN -0.207 nan 8.230 nan 0.000 0.438 105 K N 2.628 122.825 120.400 -0.337 0.000 2.267 105 K HA 0.695 5.013 4.320 -0.004 0.000 0.246 105 K C -1.035 175.362 176.600 -0.338 0.000 0.954 105 K CA -0.563 55.563 56.287 -0.269 0.000 0.824 105 K CB 2.410 34.827 32.500 -0.138 0.000 1.167 105 K HN 0.419 nan 8.250 nan 0.000 0.431 106 L N 2.616 123.665 121.223 -0.291 0.000 2.346 106 L HA 0.552 4.890 4.340 -0.004 0.000 0.276 106 L C -0.053 176.677 176.870 -0.232 0.000 1.006 106 L CA -0.916 53.744 54.840 -0.299 0.000 0.817 106 L CB 1.492 43.375 42.059 -0.293 0.000 1.272 106 L HN 0.387 nan 8.230 nan 0.000 0.421 107 I N 4.251 124.702 120.570 -0.198 0.000 2.315 107 I HA 0.359 4.527 4.170 -0.004 0.000 0.291 107 I C -0.404 175.709 176.117 -0.008 0.000 1.006 107 I CA -0.187 61.067 61.300 -0.076 0.000 1.265 107 I CB 1.149 39.135 38.000 -0.025 0.000 1.387 107 I HN 0.419 nan 8.210 nan 0.000 0.475 108 I N 8.878 129.452 120.570 0.006 0.000 2.448 108 I HA 0.317 4.484 4.170 -0.004 0.000 0.281 108 I C -2.423 173.720 176.117 0.043 0.000 1.027 108 I CA -1.898 59.462 61.300 0.100 0.000 1.111 108 I CB 1.954 40.047 38.000 0.156 0.000 1.236 108 I HN 0.260 nan 8.210 nan 0.000 0.452 109 P HA 0.231 nan 4.420 nan 0.000 0.284 109 P C -0.147 177.387 177.300 0.391 0.000 1.253 109 P CA -0.250 62.967 63.100 0.195 0.000 0.800 109 P CB 1.051 32.958 31.700 0.344 0.000 0.961 110 F N 1.220 121.542 119.950 0.619 0.000 2.698 110 F HA 0.205 4.730 4.527 -0.004 0.000 0.295 110 F C 1.252 177.488 175.800 0.726 0.000 1.124 110 F CA 0.313 58.734 58.000 0.701 0.000 1.426 110 F CB 0.270 39.584 39.000 0.523 0.000 1.120 110 F HN 0.081 nan 8.300 nan 0.000 0.583 111 V N -0.363 119.858 119.914 0.511 0.000 3.147 111 V HA 0.394 4.512 4.120 -0.004 0.000 0.299 111 V C -1.530 174.070 176.094 -0.823 0.000 1.302 111 V CA -0.963 61.242 62.300 -0.157 0.000 1.015 111 V CB 2.133 33.998 31.823 0.071 0.000 1.086 111 V HN -0.025 nan 8.190 nan 0.000 0.437 112 N N 3.287 121.192 118.700 -1.325 0.000 2.456 112 N HA 0.311 5.049 4.740 -0.004 0.000 0.288 112 N C 0.620 175.714 175.510 -0.693 0.000 1.059 112 N CA 0.232 52.688 53.050 -0.990 0.000 0.946 112 N CB 1.605 39.603 38.487 -0.815 0.000 1.150 112 N HN 0.827 nan 8.380 nan 0.000 0.479 113 N N 2.441 120.726 118.700 -0.690 0.000 2.120 113 N HA -0.074 4.664 4.740 -0.004 0.000 0.188 113 N C -0.319 174.698 175.510 -0.820 0.000 1.024 113 N CA 1.312 53.827 53.050 -0.892 0.000 0.852 113 N CB 0.072 37.853 38.487 -1.177 0.000 1.003 113 N HN 0.513 nan 8.380 nan 0.000 0.424 114 W N 0.125 121.318 121.300 -0.179 0.000 2.215 114 W HA 0.246 4.906 4.660 -0.000 0.000 0.342 114 W C 1.679 178.134 176.519 -0.108 0.000 1.237 114 W CA -0.714 56.568 57.345 -0.105 0.000 1.283 114 W CB 0.424 29.866 29.460 -0.029 0.000 1.131 114 W HN -0.071 nan 8.180 nan 0.000 0.606 115 S N -0.810 115.005 115.700 0.191 0.000 2.607 115 S HA -0.063 4.405 4.470 -0.004 0.000 0.224 115 S C -0.007 174.644 174.600 0.085 0.000 0.969 115 S CA 0.010 58.256 58.200 0.077 0.000 0.927 115 S CB -0.621 62.609 63.200 0.051 0.000 0.772 115 S HN 0.387 nan 8.310 nan 0.000 0.533 116 D N 1.990 122.488 120.400 0.163 0.000 2.383 116 D HA 0.107 4.745 4.640 -0.004 0.000 0.252 116 D C -0.231 176.238 176.300 0.280 0.000 1.166 116 D CA 0.056 54.130 54.000 0.123 0.000 0.879 116 D CB 0.067 41.035 40.800 0.281 0.000 1.164 116 D HN 0.376 nan 8.370 nan 0.000 0.462 117 Y N 1.041 121.496 120.300 0.257 0.000 3.589 117 Y HA -0.273 4.278 4.550 0.001 0.000 0.218 117 Y C 1.605 177.632 175.900 0.211 0.000 1.234 117 Y CA 0.654 58.913 58.100 0.266 0.000 1.576 117 Y CB -1.876 36.864 38.460 0.467 0.000 1.487 117 Y HN 0.805 nan 8.280 nan 0.000 0.616 118 G N -1.839 107.048 108.800 0.145 0.000 4.890 118 G HA2 0.088 4.046 3.960 -0.004 0.000 0.221 118 G HA3 0.088 4.046 3.960 -0.004 0.000 0.221 118 G C 1.571 176.475 174.900 0.007 0.000 1.472 118 G CA 1.113 46.249 45.100 0.061 0.000 0.962 118 G HN 2.130 nan 8.290 nan 0.000 0.671 119 G N -0.287 108.491 108.800 -0.037 0.000 2.697 119 G HA2 -0.055 3.903 3.960 -0.004 0.000 0.240 119 G HA3 -0.055 3.903 3.960 -0.004 0.000 0.240 119 G C 0.967 175.759 174.900 -0.179 0.000 1.346 119 G CA 0.454 45.425 45.100 -0.215 0.000 0.887 119 G HN 1.437 nan 8.290 nan 0.000 0.569 120 I N 0.723 120.991 120.570 -0.502 0.000 2.248 120 I HA -0.267 3.900 4.170 -0.004 0.000 0.248 120 I C 2.717 178.673 176.117 -0.268 0.000 1.107 120 I CA 1.984 62.827 61.300 -0.762 0.000 1.373 120 I CB -0.332 36.967 38.000 -1.169 0.000 1.055 120 I HN 0.693 nan 8.210 nan 0.000 0.418 121 N N 1.232 119.829 118.700 -0.172 0.000 2.137 121 N HA -0.233 4.505 4.740 -0.004 0.000 0.190 121 N C 1.873 177.376 175.510 -0.012 0.000 1.017 121 N CA 1.758 54.770 53.050 -0.064 0.000 0.859 121 N CB 0.074 38.533 38.487 -0.047 0.000 1.002 121 N HN 0.395 nan 8.380 nan 0.000 0.428 122 A N -0.231 122.587 122.820 -0.003 0.000 1.969 122 A HA -0.107 4.211 4.320 -0.004 0.000 0.218 122 A C 1.751 179.314 177.584 -0.034 0.000 1.169 122 A CA 0.835 52.848 52.037 -0.039 0.000 0.635 122 A CB -0.732 18.226 19.000 -0.071 0.000 0.810 122 A HN 0.429 nan 8.150 nan 0.000 0.445 123 Y N -0.417 119.906 120.300 0.039 0.000 2.220 123 Y HA -0.130 4.418 4.550 -0.004 0.000 0.291 123 Y C 2.595 178.613 175.900 0.197 0.000 1.129 123 Y CA 1.338 59.590 58.100 0.253 0.000 1.161 123 Y CB -0.576 38.224 38.460 0.567 0.000 0.997 123 Y HN 0.083 nan 8.280 nan 0.000 0.522 124 V N 0.643 120.730 119.914 0.289 0.000 2.287 124 V HA -0.348 3.770 4.120 -0.004 0.000 0.248 124 V C 1.978 178.106 176.094 0.057 0.000 1.053 124 V CA 2.129 64.532 62.300 0.172 0.000 1.027 124 V CB -0.639 31.238 31.823 0.090 0.000 0.646 124 V HN 0.472 nan 8.190 nan 0.000 0.447 125 N N 0.367 119.060 118.700 -0.011 0.000 2.149 125 N HA -0.145 4.593 4.740 -0.004 0.000 0.188 125 N C 1.797 177.213 175.510 -0.155 0.000 1.019 125 N CA 1.796 54.803 53.050 -0.072 0.000 0.857 125 N CB -0.451 37.983 38.487 -0.089 0.000 0.997 125 N HN 0.538 nan 8.380 nan 0.000 0.426 126 A N -0.235 122.398 122.820 -0.312 0.000 1.874 126 A HA 0.068 4.386 4.320 -0.004 0.000 0.214 126 A C 1.205 178.457 177.584 -0.553 0.000 1.189 126 A CA 0.836 52.500 52.037 -0.622 0.000 0.615 126 A CB -0.344 17.875 19.000 -1.303 0.000 0.830 126 A HN 0.203 nan 8.150 nan 0.000 0.443 127 F N -0.570 119.426 119.950 0.076 0.000 2.653 127 F HA 0.461 4.986 4.527 -0.002 0.000 0.304 127 F C 1.465 177.299 175.800 0.057 0.000 1.092 127 F CA -0.049 57.995 58.000 0.073 0.000 1.279 127 F CB -0.296 38.769 39.000 0.109 0.000 1.044 127 F HN 0.460 nan 8.300 nan 0.000 0.564 128 G N 0.257 109.153 108.800 0.159 0.000 2.693 128 G HA2 0.288 4.246 3.960 -0.004 0.000 0.226 128 G HA3 0.288 4.246 3.960 -0.004 0.000 0.226 128 G C 0.510 175.482 174.900 0.120 0.000 1.354 128 G CA -0.413 44.754 45.100 0.111 0.000 0.873 128 G HN 1.220 nan 8.290 nan 0.000 0.562 129 G N -0.531 108.317 108.800 0.080 0.000 2.552 129 G HA2 0.306 4.264 3.960 -0.004 0.000 0.265 129 G HA3 0.306 4.264 3.960 -0.004 0.000 0.265 129 G C 0.079 175.018 174.900 0.064 0.000 1.234 129 G CA 1.297 46.438 45.100 0.067 0.000 0.944 129 G HN 3.016 nan 8.290 nan 0.000 0.568 130 N N -2.138 116.600 118.700 0.064 0.000 3.316 130 N HA 0.746 5.484 4.740 -0.004 0.000 0.300 130 N C 1.187 176.723 175.510 0.043 0.000 1.567 130 N CA 0.883 53.962 53.050 0.048 0.000 0.821 130 N CB 0.581 39.088 38.487 0.033 0.000 1.748 130 N HN 1.661 nan 8.380 nan 0.000 0.603 131 A N -1.026 121.795 122.820 0.001 0.000 2.070 131 A HA -0.075 4.243 4.320 -0.004 0.000 0.220 131 A C 1.666 179.236 177.584 -0.023 0.000 1.159 131 A CA 2.518 54.518 52.037 -0.062 0.000 0.656 131 A CB -1.438 17.507 19.000 -0.091 0.000 0.800 131 A HN 0.872 nan 8.150 nan 0.000 0.453 132 T N -4.072 110.512 114.554 0.050 0.000 3.040 132 T HA -0.040 4.308 4.350 -0.004 0.000 0.252 132 T C 1.716 176.506 174.700 0.151 0.000 1.064 132 T CA 1.367 63.544 62.100 0.128 0.000 1.110 132 T CB -0.798 68.124 68.868 0.090 0.000 0.921 132 T HN 0.514 nan 8.240 nan 0.000 0.480 133 T N -2.401 112.207 114.554 0.090 0.000 3.118 133 T HA -0.025 4.323 4.350 -0.004 0.000 0.260 133 T C 1.466 176.180 174.700 0.024 0.000 1.139 133 T CA 0.170 62.308 62.100 0.064 0.000 1.085 133 T CB -0.870 68.023 68.868 0.042 0.000 0.934 133 T HN 0.561 nan 8.240 nan 0.000 0.518 134 W N 1.659 122.835 121.300 -0.207 0.000 2.318 134 W HA -0.223 4.437 4.660 -0.001 0.000 0.313 134 W C 1.394 177.631 176.519 -0.470 0.000 1.221 134 W CA 1.166 58.286 57.345 -0.376 0.000 1.266 134 W CB -0.602 28.490 29.460 -0.615 0.000 1.150 134 W HN 0.293 nan 8.180 nan 0.000 0.496 135 Y N -0.136 120.002 120.300 -0.270 0.000 2.315 135 Y HA -0.183 4.365 4.550 -0.004 0.000 0.288 135 Y C 2.519 178.207 175.900 -0.354 0.000 1.154 135 Y CA 2.171 59.941 58.100 -0.549 0.000 1.229 135 Y CB -1.060 37.172 38.460 -0.380 0.000 0.980 135 Y HN 0.074 nan 8.280 nan 0.000 0.540 136 T N -3.530 110.957 114.554 -0.112 0.000 3.200 136 T HA 0.125 4.473 4.350 -0.004 0.000 0.284 136 T C 0.102 174.726 174.700 -0.128 0.000 1.009 136 T CA -0.530 61.522 62.100 -0.079 0.000 0.907 136 T CB -0.458 68.404 68.868 -0.010 0.000 1.120 136 T HN 0.026 nan 8.240 nan 0.000 0.534 137 N N 1.848 120.418 118.700 -0.217 0.000 2.402 137 N HA 0.133 4.871 4.740 -0.004 0.000 0.252 137 N C 0.954 176.324 175.510 -0.233 0.000 1.118 137 N CA 0.124 53.064 53.050 -0.184 0.000 0.945 137 N CB 1.254 39.642 38.487 -0.164 0.000 1.147 137 N HN 0.131 nan 8.380 nan 0.000 0.495 138 T N 2.848 117.306 114.554 -0.160 0.000 2.635 138 T HA -0.173 4.175 4.350 -0.004 0.000 0.267 138 T C 1.758 176.319 174.700 -0.231 0.000 1.040 138 T CA 2.066 64.067 62.100 -0.165 0.000 1.156 138 T CB -0.217 68.587 68.868 -0.108 0.000 0.863 138 T HN 0.691 nan 8.240 nan 0.000 0.430 139 A N 1.267 123.934 122.820 -0.256 0.000 1.933 139 A HA 0.163 4.481 4.320 -0.004 0.000 0.218 139 A C 2.628 179.711 177.584 -0.835 0.000 1.175 139 A CA 1.865 53.630 52.037 -0.452 0.000 0.628 139 A CB -1.049 17.746 19.000 -0.341 0.000 0.814 139 A HN 0.523 nan 8.150 nan 0.000 0.444 140 A N -1.178 121.239 122.820 -0.673 0.000 1.898 140 A HA -0.153 4.165 4.320 -0.004 0.000 0.216 140 A C 2.132 179.517 177.584 -0.331 0.000 1.181 140 A CA 1.579 53.340 52.037 -0.460 0.000 0.620 140 A CB -0.405 18.503 19.000 -0.154 0.000 0.819 140 A HN 0.486 nan 8.150 nan 0.000 0.442 141 Q N -0.540 119.015 119.800 -0.409 0.000 2.123 141 Q HA -0.096 4.242 4.340 -0.004 0.000 0.199 141 Q C 2.193 178.130 176.000 -0.105 0.000 0.966 141 Q CA 1.882 57.523 55.803 -0.270 0.000 0.845 141 Q CB -1.031 27.553 28.738 -0.255 0.000 0.907 141 Q HN 0.648 nan 8.270 nan 0.000 0.439 142 T N 1.434 115.882 114.554 -0.176 0.000 2.684 142 T HA -0.199 4.149 4.350 -0.004 0.000 0.267 142 T C 1.843 176.512 174.700 -0.052 0.000 1.036 142 T CA 1.747 63.765 62.100 -0.136 0.000 1.148 142 T CB -0.092 68.681 68.868 -0.159 0.000 0.863 142 T HN 0.162 nan 8.240 nan 0.000 0.436 143 Q N -0.008 119.772 119.800 -0.033 0.000 2.123 143 Q HA -0.064 4.274 4.340 -0.004 0.000 0.199 143 Q C 1.902 178.114 176.000 0.353 0.000 0.966 143 Q CA 1.350 57.249 55.803 0.161 0.000 0.845 143 Q CB -0.657 28.220 28.738 0.233 0.000 0.907 143 Q HN 0.693 nan 8.270 nan 0.000 0.439 144 Y N 0.605 121.088 120.300 0.306 0.000 2.165 144 Y HA -0.205 4.343 4.550 -0.004 0.000 0.286 144 Y C 1.847 177.872 175.900 0.210 0.000 1.155 144 Y CA 2.026 60.340 58.100 0.357 0.000 1.164 144 Y CB -0.049 38.514 38.460 0.171 0.000 0.978 144 Y HN 0.059 nan 8.280 nan 0.000 0.513 145 R N 0.118 120.613 120.500 -0.009 0.000 2.115 145 R HA -0.125 4.213 4.340 -0.004 0.000 0.230 145 R C 2.375 178.629 176.300 -0.077 0.000 1.111 145 R CA 1.411 57.393 56.100 -0.198 0.000 0.976 145 R CB -0.253 29.802 30.300 -0.407 0.000 0.870 145 R HN 0.298 nan 8.270 nan 0.000 0.445 146 K N 0.045 120.444 120.400 -0.002 0.000 2.097 146 K HA -0.200 4.118 4.320 -0.004 0.000 0.205 146 K C 1.897 178.517 176.600 0.034 0.000 1.050 146 K CA 1.252 57.557 56.287 0.031 0.000 0.938 146 K CB -0.119 32.423 32.500 0.070 0.000 0.718 146 K HN 0.091 nan 8.250 nan 0.000 0.442 147 Y N 0.957 121.248 120.300 -0.014 0.000 2.200 147 Y HA -0.201 4.348 4.550 -0.002 0.000 0.290 147 Y C 1.833 177.621 175.900 -0.187 0.000 1.137 147 Y CA 1.150 59.248 58.100 -0.004 0.000 1.163 147 Y CB -0.306 38.257 38.460 0.171 0.000 0.988 147 Y HN -0.181 nan 8.280 nan 0.000 0.518 148 V N 0.838 120.458 119.914 -0.491 0.000 2.252 148 V HA -0.372 3.745 4.120 -0.004 0.000 0.249 148 V C 2.526 178.178 176.094 -0.737 0.000 1.056 148 V CA 2.428 64.154 62.300 -0.956 0.000 1.022 148 V CB -0.833 30.365 31.823 -1.041 0.000 0.641 148 V HN 0.448 nan 8.190 nan 0.000 0.445 149 Q N -0.041 119.511 119.800 -0.413 0.000 2.124 149 Q HA -0.205 4.133 4.340 -0.004 0.000 0.202 149 Q C 2.234 178.026 176.000 -0.348 0.000 0.977 149 Q CA 2.199 57.797 55.803 -0.342 0.000 0.850 149 Q CB -0.324 28.330 28.738 -0.139 0.000 0.901 149 Q HN 0.636 nan 8.270 nan 0.000 0.429 150 A N -0.321 122.295 122.820 -0.340 0.000 1.969 150 A HA -0.071 4.247 4.320 -0.004 0.000 0.218 150 A C 2.244 179.576 177.584 -0.419 0.000 1.169 150 A CA 1.370 53.216 52.037 -0.319 0.000 0.635 150 A CB -0.288 18.570 19.000 -0.238 0.000 0.810 150 A HN 0.251 nan 8.150 nan 0.000 0.445 151 V N -0.896 118.691 119.914 -0.545 0.000 2.300 151 V HA -0.137 3.981 4.120 -0.004 0.000 0.241 151 V C 2.532 178.367 176.094 -0.433 0.000 1.034 151 V CA 1.558 63.605 62.300 -0.423 0.000 1.021 151 V CB -0.671 30.999 31.823 -0.255 0.000 0.662 151 V HN 0.314 nan 8.190 nan 0.000 0.458 152 V N 1.503 121.053 119.914 -0.607 0.000 2.282 152 V HA -0.282 3.836 4.120 -0.004 0.000 0.249 152 V C 2.756 178.666 176.094 -0.306 0.000 1.057 152 V CA 2.569 64.457 62.300 -0.688 0.000 1.032 152 V CB -1.037 30.249 31.823 -0.895 0.000 0.645 152 V HN 0.762 nan 8.190 nan 0.000 0.447 153 S N 0.240 115.748 115.700 -0.321 0.000 2.419 153 S HA -0.204 4.264 4.470 -0.004 0.000 0.233 153 S C 1.980 176.446 174.600 -0.222 0.000 1.016 153 S CA 1.238 59.308 58.200 -0.216 0.000 0.974 153 S CB -0.489 62.589 63.200 -0.202 0.000 0.786 153 S HN 0.614 nan 8.310 nan 0.000 0.492 154 R N -0.062 120.194 120.500 -0.407 0.000 2.075 154 R HA 0.003 4.341 4.340 -0.004 0.000 0.232 154 R C 0.819 176.858 176.300 -0.436 0.000 1.126 154 R CA 1.554 57.301 56.100 -0.589 0.000 0.963 154 R CB -0.295 29.304 30.300 -1.168 0.000 0.858 154 R HN 0.596 nan 8.270 nan 0.000 0.435 155 Y N -1.400 119.016 120.300 0.195 0.000 2.641 155 Y HA 0.420 4.968 4.550 -0.004 0.000 0.248 155 Y C 1.505 177.636 175.900 0.385 0.000 1.170 155 Y CA -0.602 57.656 58.100 0.263 0.000 1.201 155 Y CB -0.061 38.571 38.460 0.286 0.000 1.232 155 Y HN -0.018 nan 8.280 nan 0.000 0.537 156 A N 0.727 123.806 122.820 0.433 0.000 2.032 156 A HA -0.249 4.069 4.320 -0.004 0.000 0.221 156 A C 1.400 179.233 177.584 0.416 0.000 1.165 156 A CA 2.242 54.560 52.037 0.469 0.000 0.645 156 A CB -0.547 18.581 19.000 0.212 0.000 0.807 156 A HN 0.521 nan 8.150 nan 0.000 0.453 157 N N -1.022 117.889 118.700 0.352 0.000 2.203 157 N HA 0.151 4.889 4.740 -0.004 0.000 0.207 157 N C 0.127 175.884 175.510 0.412 0.000 1.130 157 N CA 0.373 53.647 53.050 0.374 0.000 0.861 157 N CB 0.584 39.207 38.487 0.225 0.000 1.005 157 N HN 0.252 nan 8.380 nan 0.000 0.507 158 S N 0.114 116.072 115.700 0.429 0.000 2.545 158 S HA 0.106 4.574 4.470 -0.004 0.000 0.275 158 S C 1.389 176.191 174.600 0.337 0.000 1.299 158 S CA -0.479 57.888 58.200 0.278 0.000 1.048 158 S CB 0.555 63.883 63.200 0.213 0.000 0.938 158 S HN 0.401 nan 8.310 nan 0.000 0.496 159 T N 2.104 116.691 114.554 0.055 0.000 3.148 159 T HA 0.219 4.567 4.350 -0.004 0.000 0.253 159 T C 1.414 176.111 174.700 -0.005 0.000 1.134 159 T CA 0.395 62.474 62.100 -0.035 0.000 1.051 159 T CB -0.114 68.593 68.868 -0.268 0.000 0.959 159 T HN 0.618 nan 8.240 nan 0.000 0.525 160 A N 1.279 124.076 122.820 -0.038 0.000 2.169 160 A HA 0.370 4.688 4.320 -0.004 0.000 0.212 160 A C 0.891 178.355 177.584 -0.200 0.000 1.153 160 A CA -0.078 51.879 52.037 -0.133 0.000 0.756 160 A CB -0.283 18.616 19.000 -0.168 0.000 0.813 160 A HN 0.512 nan 8.150 nan 0.000 0.471 161 I N 0.558 120.979 120.570 -0.248 0.000 2.363 161 I HA 0.085 4.252 4.170 -0.004 0.000 0.292 161 I C 0.990 176.882 176.117 -0.375 0.000 1.075 161 I CA -0.316 60.657 61.300 -0.544 0.000 1.333 161 I CB -0.359 36.924 38.000 -1.195 0.000 1.415 161 I HN 0.343 nan 8.210 nan 0.000 0.502 162 F N 5.990 125.688 119.950 -0.421 0.000 2.060 162 F HA 0.174 4.699 4.527 -0.003 0.000 0.295 162 F C 1.045 176.699 175.800 -0.244 0.000 1.120 162 F CA 1.165 58.968 58.000 -0.329 0.000 1.205 162 F CB 0.450 39.203 39.000 -0.411 0.000 0.986 162 F HN 0.509 nan 8.300 nan 0.000 0.470 163 A N -1.889 120.931 122.820 -0.001 0.000 2.594 163 A HA 0.447 4.765 4.320 -0.004 0.000 0.295 163 A C -1.885 175.551 177.584 -0.246 0.000 1.071 163 A CA -0.691 51.326 52.037 -0.034 0.000 0.685 163 A CB -0.136 19.139 19.000 0.458 0.000 1.285 163 A HN 0.283 nan 8.150 nan 0.000 0.405 164 W N 0.561 121.898 121.300 0.062 0.000 2.316 164 W HA 0.571 5.229 4.660 -0.004 0.000 0.321 164 W C 0.598 177.092 176.519 -0.041 0.000 1.203 164 W CA 0.164 57.486 57.345 -0.038 0.000 1.214 164 W CB 0.994 30.545 29.460 0.151 0.000 1.169 164 W HN 0.771 nan 8.180 nan 0.000 0.561 165 E N 2.930 123.166 120.200 0.059 0.000 2.218 165 E HA 0.185 4.532 4.350 -0.004 0.000 0.263 165 E C 0.576 177.280 176.600 0.172 0.000 0.879 165 E CA -0.437 56.033 56.400 0.117 0.000 0.762 165 E CB 1.128 30.925 29.700 0.161 0.000 1.166 165 E HN 0.541 nan 8.360 nan 0.000 0.415 166 L N 2.677 124.104 121.223 0.340 0.000 2.043 166 L HA 0.032 4.370 4.340 -0.004 0.000 0.212 166 L C 1.205 178.475 176.870 0.666 0.000 1.075 166 L CA 1.557 56.733 54.840 0.560 0.000 0.752 166 L CB -0.544 41.734 42.059 0.365 0.000 0.891 166 L HN 0.614 nan 8.230 nan 0.000 0.432 167 G N -1.369 107.703 108.800 0.452 0.000 2.608 167 G HA2 0.261 4.219 3.960 -0.004 0.000 0.291 167 G HA3 0.261 4.219 3.960 -0.004 0.000 0.291 167 G C -1.839 173.173 174.900 0.187 0.000 1.425 167 G CA -0.601 44.684 45.100 0.308 0.000 0.787 167 G HN -0.005 nan 8.290 nan 0.000 0.484 168 N N 0.449 119.162 118.700 0.021 0.000 2.439 168 N HA 0.333 5.071 4.740 -0.004 0.000 0.249 168 N C 0.167 175.684 175.510 0.011 0.000 1.003 168 N CA -0.121 52.971 53.050 0.070 0.000 0.942 168 N CB 0.227 38.647 38.487 -0.112 0.000 1.115 168 N HN 0.633 nan 8.380 nan 0.000 0.505 169 E N 0.980 121.258 120.200 0.131 0.000 2.210 169 E HA -0.175 4.173 4.350 -0.004 0.000 0.201 169 E C -2.157 174.365 176.600 -0.130 0.000 1.339 169 E CA 0.039 56.483 56.400 0.072 0.000 0.699 169 E CB -1.303 28.586 29.700 0.315 0.000 1.126 169 E HN 0.615 nan 8.360 nan 0.000 0.355 170 P HA 0.000 nan 4.420 nan 0.000 0.264 170 P C -0.184 177.058 177.300 -0.096 0.000 1.193 170 P CA 0.848 63.880 63.100 -0.114 0.000 0.763 170 P CB 0.638 32.369 31.700 0.053 0.000 0.810 171 R N 2.078 122.487 120.500 -0.151 0.000 2.808 171 R HA 0.594 4.932 4.340 -0.004 0.000 0.272 171 R C -1.116 175.155 176.300 -0.049 0.000 0.995 171 R CA -0.722 55.320 56.100 -0.097 0.000 0.917 171 R CB 2.039 32.275 30.300 -0.106 0.000 1.217 171 R HN 0.445 nan 8.270 nan 0.000 0.471 172 C N 2.470 121.739 119.300 -0.051 0.000 3.002 172 C HA 0.259 4.717 4.460 -0.004 0.000 0.248 172 C C -0.200 174.799 174.990 0.015 0.000 1.153 172 C CA -0.760 58.254 59.018 -0.007 0.000 1.502 172 C CB -0.780 26.874 27.740 -0.145 0.000 1.805 172 C HN 0.767 nan 8.230 nan 0.000 0.450 173 N N 2.013 120.734 118.700 0.036 0.000 2.411 173 N HA 0.122 4.860 4.740 -0.004 0.000 0.265 173 N C 1.302 176.848 175.510 0.061 0.000 1.266 173 N CA 1.895 54.982 53.050 0.062 0.000 0.889 173 N CB 0.581 39.111 38.487 0.071 0.000 1.069 173 N HN 1.167 nan 8.380 nan 0.000 0.476 174 G N 2.728 111.572 108.800 0.073 0.000 2.168 174 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.263 174 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.263 174 G C 0.366 175.294 174.900 0.046 0.000 0.977 174 G CA 0.445 45.585 45.100 0.066 0.000 0.659 174 G HN 0.690 nan 8.290 nan 0.000 0.533 175 C N 0.427 119.746 119.300 0.032 0.000 2.520 175 C HA 0.709 5.167 4.460 -0.004 0.000 0.376 175 C C 1.636 176.632 174.990 0.009 0.000 1.268 175 C CA 0.162 59.188 59.018 0.013 0.000 2.414 175 C CB 1.192 28.924 27.740 -0.013 0.000 2.521 175 C HN 0.861 nan 8.230 nan 0.000 0.618 176 S N 0.826 116.525 115.700 -0.001 0.000 2.558 176 S HA 0.015 4.483 4.470 -0.004 0.000 0.288 176 S C 1.459 176.048 174.600 -0.018 0.000 1.318 176 S CA 0.442 58.636 58.200 -0.010 0.000 1.056 176 S CB 0.584 63.774 63.200 -0.015 0.000 0.853 176 S HN 0.992 nan 8.310 nan 0.000 0.505 177 T N 1.073 115.619 114.554 -0.013 0.000 3.051 177 T HA -0.096 4.252 4.350 -0.004 0.000 0.269 177 T C 1.181 175.869 174.700 -0.020 0.000 1.127 177 T CA 1.445 63.543 62.100 -0.004 0.000 1.107 177 T CB -0.463 68.420 68.868 0.025 0.000 0.898 177 T HN 0.716 nan 8.240 nan 0.000 0.517 178 D N 0.687 121.071 120.400 -0.026 0.000 2.264 178 D HA -0.040 4.597 4.640 -0.004 0.000 0.208 178 D C 1.934 178.223 176.300 -0.019 0.000 0.966 178 D CA 0.392 54.381 54.000 -0.019 0.000 0.864 178 D CB -0.229 40.560 40.800 -0.017 0.000 0.933 178 D HN 0.310 nan 8.370 nan 0.000 0.499 179 V N 0.341 120.226 119.914 -0.049 0.000 2.295 179 V HA -0.219 3.899 4.120 -0.004 0.000 0.246 179 V C 2.459 178.490 176.094 -0.105 0.000 1.049 179 V CA 1.334 63.590 62.300 -0.073 0.000 1.024 179 V CB -0.329 31.424 31.823 -0.116 0.000 0.648 179 V HN 0.315 nan 8.190 nan 0.000 0.447 180 I N -0.623 119.839 120.570 -0.181 0.000 2.439 180 I HA -0.164 4.004 4.170 -0.004 0.000 0.251 180 I C 2.320 178.497 176.117 0.099 0.000 1.139 180 I CA 0.840 62.076 61.300 -0.107 0.000 1.438 180 I CB -0.207 37.684 38.000 -0.183 0.000 1.085 180 I HN 0.146 nan 8.210 nan 0.000 0.427 181 V N 0.521 120.461 119.914 0.043 0.000 2.255 181 V HA -0.293 3.825 4.120 -0.004 0.000 0.247 181 V C 2.516 178.647 176.094 0.061 0.000 1.051 181 V CA 1.685 64.014 62.300 0.048 0.000 1.018 181 V CB -0.683 31.150 31.823 0.017 0.000 0.641 181 V HN 0.442 nan 8.190 nan 0.000 0.445 182 Q N -1.419 118.420 119.800 0.063 0.000 2.084 182 Q HA -0.245 4.093 4.340 -0.004 0.000 0.202 182 Q C 1.902 177.965 176.000 0.104 0.000 0.978 182 Q CA 2.128 57.969 55.803 0.063 0.000 0.844 182 Q CB -0.609 28.160 28.738 0.051 0.000 0.898 182 Q HN 0.847 nan 8.270 nan 0.000 0.426 183 W N 1.458 122.747 121.300 -0.018 0.000 2.354 183 W HA -0.157 4.502 4.660 -0.002 0.000 0.315 183 W C 2.328 178.884 176.519 0.062 0.000 1.206 183 W CA 2.425 59.784 57.345 0.023 0.000 1.290 183 W CB -0.490 29.010 29.460 0.066 0.000 1.152 183 W HN 0.121 nan 8.180 nan 0.000 0.489 184 A N -0.038 122.828 122.820 0.077 0.000 1.908 184 A HA -0.211 4.107 4.320 -0.004 0.000 0.218 184 A C 1.914 179.410 177.584 -0.146 0.000 1.181 184 A CA 2.589 54.538 52.037 -0.147 0.000 0.627 184 A CB -1.444 17.603 19.000 0.078 0.000 0.818 184 A HN 0.356 nan 8.150 nan 0.000 0.445 185 T N -0.629 113.888 114.554 -0.062 0.000 2.652 185 T HA -0.161 4.187 4.350 -0.004 0.000 0.267 185 T C 2.312 176.968 174.700 -0.073 0.000 1.039 185 T CA 1.865 63.935 62.100 -0.049 0.000 1.153 185 T CB -0.411 68.445 68.868 -0.020 0.000 0.863 185 T HN 0.538 nan 8.240 nan 0.000 0.428 186 S N 0.173 115.816 115.700 -0.095 0.000 2.356 186 S HA -0.109 4.358 4.470 -0.004 0.000 0.223 186 S C 2.170 176.697 174.600 -0.122 0.000 1.032 186 S CA 1.293 59.434 58.200 -0.099 0.000 1.005 186 S CB -0.501 62.640 63.200 -0.098 0.000 0.867 186 S HN 0.292 nan 8.310 nan 0.000 0.449 187 V N 2.220 121.981 119.914 -0.256 0.000 2.358 187 V HA -0.111 4.007 4.120 -0.004 0.000 0.246 187 V C 2.774 178.829 176.094 -0.064 0.000 1.047 187 V CA 1.932 64.109 62.300 -0.205 0.000 1.035 187 V CB -1.068 30.483 31.823 -0.453 0.000 0.658 187 V HN 0.756 nan 8.190 nan 0.000 0.452 188 S N -0.116 115.530 115.700 -0.090 0.000 2.368 188 S HA -0.288 4.180 4.470 -0.004 0.000 0.224 188 S C 1.922 176.524 174.600 0.003 0.000 1.029 188 S CA 1.496 59.689 58.200 -0.013 0.000 0.988 188 S CB -0.520 62.673 63.200 -0.012 0.000 0.838 188 S HN 0.664 nan 8.310 nan 0.000 0.462 189 Q N -0.309 119.488 119.800 -0.005 0.000 2.096 189 Q HA -0.142 4.196 4.340 -0.004 0.000 0.204 189 Q C 2.038 178.059 176.000 0.035 0.000 0.982 189 Q CA 1.797 57.605 55.803 0.009 0.000 0.850 189 Q CB -0.412 28.329 28.738 0.004 0.000 0.901 189 Q HN 0.753 nan 8.270 nan 0.000 0.422 190 Y N 0.909 121.150 120.300 -0.098 0.000 2.181 190 Y HA -0.227 4.321 4.550 -0.004 0.000 0.288 190 Y C 2.035 177.859 175.900 -0.127 0.000 1.146 190 Y CA 1.043 59.072 58.100 -0.118 0.000 1.164 190 Y CB -0.412 37.958 38.460 -0.150 0.000 0.982 190 Y HN -0.157 nan 8.280 nan 0.000 0.515 191 V N 0.953 120.753 119.914 -0.190 0.000 2.287 191 V HA -0.335 3.783 4.120 -0.004 0.000 0.248 191 V C 2.460 178.443 176.094 -0.184 0.000 1.053 191 V CA 2.283 64.418 62.300 -0.275 0.000 1.027 191 V CB -0.629 31.167 31.823 -0.045 0.000 0.646 191 V HN 0.276 nan 8.190 nan 0.000 0.447 192 K N 0.853 121.211 120.400 -0.070 0.000 2.152 192 K HA -0.131 4.187 4.320 -0.004 0.000 0.206 192 K C 2.423 178.972 176.600 -0.085 0.000 1.048 192 K CA 1.740 58.004 56.287 -0.037 0.000 0.933 192 K CB -0.745 31.749 32.500 -0.009 0.000 0.721 192 K HN 0.697 nan 8.250 nan 0.000 0.447 193 S N 0.413 116.037 115.700 -0.127 0.000 2.453 193 S HA -0.013 4.455 4.470 -0.004 0.000 0.231 193 S C 1.956 176.445 174.600 -0.185 0.000 1.005 193 S CA 0.510 58.636 58.200 -0.124 0.000 0.949 193 S CB -0.240 62.909 63.200 -0.085 0.000 0.774 193 S HN 0.217 nan 8.310 nan 0.000 0.510 194 L N 0.426 121.478 121.223 -0.286 0.000 2.416 194 L HA 0.358 4.696 4.340 -0.004 0.000 0.216 194 L C 0.201 176.977 176.870 -0.155 0.000 1.098 194 L CA 0.332 55.002 54.840 -0.284 0.000 0.840 194 L CB 0.041 41.815 42.059 -0.476 0.000 0.981 194 L HN 0.312 nan 8.230 nan 0.000 0.462 195 D N -0.948 119.396 120.400 -0.093 0.000 2.738 195 D HA 0.070 4.708 4.640 -0.004 0.000 0.218 195 D C 0.142 176.425 176.300 -0.028 0.000 1.345 195 D CA -0.063 53.936 54.000 -0.002 0.000 0.943 195 D CB 1.554 42.479 40.800 0.207 0.000 1.514 195 D HN -0.068 nan 8.370 nan 0.000 0.585 196 S N 2.537 118.174 115.700 -0.105 0.000 2.557 196 S HA 0.119 4.587 4.470 -0.004 0.000 0.223 196 S C 0.793 175.237 174.600 -0.259 0.000 0.969 196 S CA -0.297 57.826 58.200 -0.128 0.000 0.927 196 S CB -0.006 63.128 63.200 -0.110 0.000 0.806 196 S HN 0.373 nan 8.310 nan 0.000 0.489 197 N N 1.360 119.780 118.700 -0.467 0.000 2.395 197 N HA 0.109 4.846 4.740 -0.004 0.000 0.175 197 N C -0.201 174.819 175.510 -0.817 0.000 1.029 197 N CA 0.618 53.084 53.050 -0.975 0.000 0.897 197 N CB -0.030 37.292 38.487 -1.941 0.000 0.991 197 N HN 0.620 nan 8.380 nan 0.000 0.441 198 H N -0.549 118.394 119.070 -0.211 0.000 2.573 198 H HA 0.410 4.964 4.556 -0.003 0.000 0.351 198 H C 0.105 175.426 175.328 -0.012 0.000 1.163 198 H CA -0.826 55.149 56.048 -0.122 0.000 1.205 198 H CB 1.808 31.484 29.762 -0.143 0.000 1.605 198 H HN -0.167 nan 8.280 nan 0.000 0.525 199 L N 1.524 122.834 121.223 0.145 0.000 2.472 199 L HA 0.292 4.630 4.340 -0.004 0.000 0.260 199 L C -0.465 176.534 176.870 0.215 0.000 1.209 199 L CA -0.365 54.590 54.840 0.192 0.000 0.817 199 L CB 0.498 42.728 42.059 0.285 0.000 1.106 199 L HN 0.271 nan 8.230 nan 0.000 0.479 200 V N 0.344 120.363 119.914 0.175 0.000 2.760 200 V HA 0.558 4.676 4.120 -0.004 0.000 0.309 200 V C -0.275 175.777 176.094 -0.070 0.000 1.077 200 V CA -0.450 61.939 62.300 0.148 0.000 0.910 200 V CB 2.138 34.069 31.823 0.179 0.000 1.008 200 V HN 0.849 nan 8.190 nan 0.000 0.424 201 T N 2.208 116.699 114.554 -0.106 0.000 2.864 201 T HA 0.486 4.834 4.350 -0.004 0.000 0.299 201 T C 0.142 174.834 174.700 -0.013 0.000 1.166 201 T CA -0.279 61.654 62.100 -0.277 0.000 1.007 201 T CB 1.722 70.100 68.868 -0.815 0.000 1.219 201 T HN 0.463 nan 8.240 nan 0.000 0.506 202 L N 3.066 124.301 121.223 0.020 0.000 2.068 202 L HA 0.422 4.760 4.340 -0.004 0.000 0.204 202 L C 1.917 178.915 176.870 0.214 0.000 1.076 202 L CA 2.646 57.575 54.840 0.148 0.000 0.753 202 L CB -0.837 41.311 42.059 0.148 0.000 0.910 202 L HN 1.136 nan 8.230 nan 0.000 0.439 203 G N -0.358 108.568 108.800 0.211 0.000 2.141 203 G HA2 -0.252 3.706 3.960 -0.004 0.000 0.242 203 G HA3 -0.252 3.706 3.960 -0.004 0.000 0.242 203 G C -0.016 174.982 174.900 0.163 0.000 0.982 203 G CA 0.367 45.623 45.100 0.260 0.000 0.662 203 G HN 0.688 nan 8.290 nan 0.000 0.527 204 D N 0.142 120.627 120.400 0.141 0.000 2.368 204 D HA 0.193 4.830 4.640 -0.004 0.000 0.240 204 D C 0.965 177.224 176.300 -0.068 0.000 1.169 204 D CA 0.069 54.123 54.000 0.090 0.000 0.906 204 D CB 0.721 41.640 40.800 0.197 0.000 1.187 204 D HN 0.376 nan 8.370 nan 0.000 0.435 205 E N -0.319 119.876 120.200 -0.009 0.000 2.427 205 E HA 0.118 4.466 4.350 -0.004 0.000 0.196 205 E C 1.150 177.968 176.600 0.363 0.000 1.028 205 E CA 0.521 56.994 56.400 0.121 0.000 0.864 205 E CB -0.129 29.798 29.700 0.378 0.000 0.813 205 E HN 0.816 nan 8.360 nan 0.000 0.514 206 G N 0.931 109.918 108.800 0.313 0.000 2.159 206 G HA2 -0.257 3.701 3.960 -0.004 0.000 0.227 206 G HA3 -0.257 3.701 3.960 -0.004 0.000 0.227 206 G C 0.191 175.218 174.900 0.213 0.000 0.986 206 G CA -0.198 45.011 45.100 0.181 0.000 0.651 206 G HN 0.119 nan 8.290 nan 0.000 0.523 207 L N 0.403 121.760 121.223 0.224 0.000 2.461 207 L HA 0.482 4.820 4.340 -0.004 0.000 0.272 207 L C 1.399 178.271 176.870 0.002 0.000 1.197 207 L CA 0.785 55.680 54.840 0.092 0.000 0.836 207 L CB 0.495 42.509 42.059 -0.076 0.000 1.105 207 L HN 1.264 nan 8.230 nan 0.000 0.477 208 G N 2.784 111.460 108.800 -0.206 0.000 2.858 208 G HA2 -0.010 3.948 3.960 -0.004 0.000 0.266 208 G HA3 -0.010 3.948 3.960 -0.004 0.000 0.266 208 G C -1.326 173.414 174.900 -0.266 0.000 1.023 208 G CA -0.634 44.107 45.100 -0.598 0.000 1.172 208 G HN 0.517 nan 8.290 nan 0.000 0.523 209 L N 1.525 122.617 121.223 -0.218 0.000 2.580 209 L HA 0.739 5.077 4.340 -0.004 0.000 0.266 209 L C 0.736 177.621 176.870 0.025 0.000 0.955 209 L CA 0.075 54.902 54.840 -0.021 0.000 0.886 209 L CB 1.740 43.658 42.059 -0.235 0.000 1.263 209 L HN 0.329 nan 8.230 nan 0.000 0.406 210 S N 0.594 116.341 115.700 0.078 0.000 2.603 210 S HA -0.034 4.434 4.470 -0.004 0.000 0.220 210 S C 1.272 175.816 174.600 -0.093 0.000 0.967 210 S CA 0.823 59.047 58.200 0.040 0.000 0.920 210 S CB -0.364 62.912 63.200 0.126 0.000 0.773 210 S HN 0.850 nan 8.310 nan 0.000 0.529 211 T N -0.848 113.604 114.554 -0.172 0.000 3.144 211 T HA 0.318 4.666 4.350 -0.004 0.000 0.249 211 T C 1.031 175.493 174.700 -0.397 0.000 1.089 211 T CA 0.082 62.047 62.100 -0.224 0.000 0.989 211 T CB 0.221 68.978 68.868 -0.185 0.000 0.992 211 T HN 0.265 nan 8.240 nan 0.000 0.540 212 G N 1.874 110.222 108.800 -0.753 0.000 2.630 212 G HA2 0.395 4.353 3.960 -0.004 0.000 0.223 212 G HA3 0.395 4.353 3.960 -0.004 0.000 0.223 212 G C 0.133 174.622 174.900 -0.686 0.000 1.434 212 G CA 0.017 44.323 45.100 -1.323 0.000 1.057 212 G HN 0.380 nan 8.290 nan 0.000 0.570 213 D N -2.202 117.880 120.400 -0.529 0.000 2.388 213 D HA 0.252 4.890 4.640 -0.004 0.000 0.221 213 D C 1.436 177.785 176.300 0.081 0.000 1.133 213 D CA 0.553 54.523 54.000 -0.051 0.000 0.831 213 D CB -0.053 40.844 40.800 0.162 0.000 0.962 213 D HN 1.101 nan 8.370 nan 0.000 0.502 214 G N -0.226 108.621 108.800 0.079 0.000 2.179 214 G HA2 -0.212 3.746 3.960 -0.004 0.000 0.260 214 G HA3 -0.212 3.746 3.960 -0.004 0.000 0.260 214 G C 0.640 175.691 174.900 0.251 0.000 0.977 214 G CA 0.198 45.393 45.100 0.159 0.000 0.641 214 G HN 0.841 nan 8.290 nan 0.000 0.533 215 A N -0.795 122.270 122.820 0.409 0.000 2.429 215 A HA 0.545 4.863 4.320 -0.004 0.000 0.242 215 A C 1.045 178.765 177.584 0.228 0.000 1.088 215 A CA 0.976 53.177 52.037 0.274 0.000 0.784 215 A CB 0.124 19.238 19.000 0.190 0.000 1.038 215 A HN 1.195 nan 8.150 nan 0.000 0.501 216 Y N 1.880 122.173 120.300 -0.011 0.000 2.139 216 Y HA -0.179 4.370 4.550 -0.002 0.000 0.282 216 Y C -0.810 175.012 175.900 -0.129 0.000 1.179 216 Y CA 3.067 61.125 58.100 -0.070 0.000 1.161 216 Y CB -1.225 37.165 38.460 -0.116 0.000 0.970 216 Y HN 0.521 nan 8.280 nan 0.000 0.511 217 P HA -0.174 nan 4.420 nan 0.000 0.219 217 P C 0.934 178.115 177.300 -0.198 0.000 1.146 217 P CA 1.793 64.588 63.100 -0.509 0.000 0.808 217 P CB -0.261 30.936 31.700 -0.838 0.000 0.779 218 Y N -0.539 119.809 120.300 0.080 0.000 2.457 218 Y HA -0.030 4.519 4.550 -0.003 0.000 0.292 218 Y C 1.747 177.438 175.900 -0.348 0.000 1.125 218 Y CA 0.668 58.768 58.100 -0.001 0.000 1.254 218 Y CB -1.471 37.050 38.460 0.103 0.000 1.012 218 Y HN -0.025 nan 8.280 nan 0.000 0.555 219 T N -2.749 111.654 114.554 -0.252 0.000 2.726 219 T HA 0.013 4.361 4.350 -0.004 0.000 0.294 219 T C -0.258 174.071 174.700 -0.618 0.000 1.013 219 T CA -0.283 61.599 62.100 -0.363 0.000 0.996 219 T CB 0.369 69.131 68.868 -0.177 0.000 1.016 219 T HN 0.174 nan 8.240 nan 0.000 0.529 220 Y N -0.462 119.784 120.300 -0.090 0.000 2.833 220 Y HA 0.469 5.017 4.550 -0.003 0.000 0.339 220 Y C 1.742 177.609 175.900 -0.055 0.000 1.032 220 Y CA -0.899 57.164 58.100 -0.063 0.000 1.450 220 Y CB -0.068 38.383 38.460 -0.014 0.000 1.296 220 Y HN 0.893 nan 8.280 nan 0.000 0.535 221 G N -0.504 108.264 108.800 -0.053 0.000 2.880 221 G HA2 -0.041 3.916 3.960 -0.004 0.000 0.209 221 G HA3 -0.041 3.916 3.960 -0.004 0.000 0.209 221 G C 1.098 176.057 174.900 0.098 0.000 1.157 221 G CA 0.180 45.335 45.100 0.092 0.000 0.779 221 G HN 0.182 nan 8.290 nan 0.000 0.539 222 E N 0.196 120.404 120.200 0.012 0.000 2.558 222 E HA 0.215 4.562 4.350 -0.004 0.000 0.205 222 E C 1.470 178.083 176.600 0.021 0.000 1.006 222 E CA 0.185 56.608 56.400 0.037 0.000 0.961 222 E CB 0.353 30.067 29.700 0.024 0.000 1.044 222 E HN 0.317 nan 8.360 nan 0.000 0.465 223 G N 2.197 111.021 108.800 0.039 0.000 2.155 223 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.257 223 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.257 223 G C 0.508 175.423 174.900 0.025 0.000 0.983 223 G CA 0.994 46.104 45.100 0.017 0.000 0.676 223 G HN 0.369 nan 8.290 nan 0.000 0.528 224 T N -2.417 112.185 114.554 0.080 0.000 2.863 224 T HA 0.616 4.964 4.350 -0.004 0.000 0.285 224 T C -1.324 173.514 174.700 0.230 0.000 1.009 224 T CA -0.227 61.942 62.100 0.115 0.000 0.989 224 T CB 3.034 71.968 68.868 0.109 0.000 1.004 224 T HN 0.158 nan 8.240 nan 0.000 0.455 225 D N 1.984 122.524 120.400 0.234 0.000 2.469 225 D HA 0.250 4.888 4.640 -0.004 0.000 0.251 225 D C 0.236 176.681 176.300 0.240 0.000 1.173 225 D CA -1.021 53.181 54.000 0.337 0.000 0.882 225 D CB 1.132 42.065 40.800 0.222 0.000 1.129 225 D HN 0.417 nan 8.370 nan 0.000 0.549 226 F N 4.070 124.085 119.950 0.108 0.000 2.095 226 F HA -0.108 4.417 4.527 -0.004 0.000 0.298 226 F C 2.022 177.852 175.800 0.049 0.000 1.104 226 F CA 2.066 60.105 58.000 0.066 0.000 1.232 226 F CB -0.045 38.956 39.000 0.003 0.000 0.987 226 F HN 0.486 nan 8.300 nan 0.000 0.475 227 A N -0.103 122.767 122.820 0.083 0.000 1.930 227 A HA -0.167 4.151 4.320 -0.004 0.000 0.217 227 A C 2.258 179.804 177.584 -0.064 0.000 1.175 227 A CA 1.668 53.690 52.037 -0.025 0.000 0.627 227 A CB -0.590 18.438 19.000 0.046 0.000 0.815 227 A HN 0.450 nan 8.150 nan 0.000 0.443 228 K N -0.337 120.052 120.400 -0.018 0.000 2.001 228 K HA -0.103 4.215 4.320 -0.004 0.000 0.208 228 K C 1.788 178.354 176.600 -0.056 0.000 1.048 228 K CA 1.307 57.578 56.287 -0.027 0.000 0.932 228 K CB -0.267 32.231 32.500 -0.003 0.000 0.715 228 K HN 0.374 nan 8.250 nan 0.000 0.437 229 N N 1.005 119.668 118.700 -0.061 0.000 2.069 229 N HA -0.158 4.580 4.740 -0.004 0.000 0.191 229 N C 1.917 177.345 175.510 -0.138 0.000 1.031 229 N CA 1.714 54.722 53.050 -0.070 0.000 0.852 229 N CB -0.605 37.856 38.487 -0.043 0.000 1.018 229 N HN 0.169 nan 8.380 nan 0.000 0.423 230 V N -0.959 118.786 119.914 -0.281 0.000 2.913 230 V HA -0.078 4.040 4.120 -0.004 0.000 0.260 230 V C 1.568 177.585 176.094 -0.129 0.000 1.098 230 V CA 1.266 63.409 62.300 -0.261 0.000 1.121 230 V CB -0.683 30.886 31.823 -0.424 0.000 0.714 230 V HN 0.204 nan 8.190 nan 0.000 0.487 231 Q N 0.217 119.958 119.800 -0.099 0.000 2.444 231 Q HA 0.346 4.684 4.340 -0.004 0.000 0.206 231 Q C 0.514 176.491 176.000 -0.038 0.000 0.948 231 Q CA 0.010 55.780 55.803 -0.054 0.000 0.946 231 Q CB 0.154 28.865 28.738 -0.044 0.000 1.027 231 Q HN 0.622 nan 8.270 nan 0.000 0.513 232 I N 1.677 122.223 120.570 -0.041 0.000 2.618 232 I HA -0.111 4.057 4.170 -0.004 0.000 0.284 232 I C 1.181 177.287 176.117 -0.018 0.000 1.146 232 I CA 0.280 61.565 61.300 -0.026 0.000 1.425 232 I CB 0.769 38.755 38.000 -0.024 0.000 1.383 232 I HN 0.052 nan 8.210 nan 0.000 0.562 233 K N 2.879 123.272 120.400 -0.012 0.000 2.147 233 K HA -0.121 4.197 4.320 -0.004 0.000 0.205 233 K C 1.594 178.195 176.600 0.002 0.000 1.049 233 K CA 1.600 57.884 56.287 -0.005 0.000 0.936 233 K CB -0.057 32.440 32.500 -0.006 0.000 0.722 233 K HN 0.739 nan 8.250 nan 0.000 0.446 234 S N 0.299 115.998 115.700 -0.001 0.000 2.605 234 S HA 0.162 4.630 4.470 -0.004 0.000 0.217 234 S C 0.373 174.980 174.600 0.012 0.000 0.958 234 S CA -0.225 57.980 58.200 0.007 0.000 0.919 234 S CB -0.139 63.062 63.200 0.001 0.000 0.780 234 S HN 0.053 nan 8.310 nan 0.000 0.507 235 L N 1.962 123.185 121.223 -0.000 0.000 2.305 235 L HA 0.462 4.800 4.340 -0.004 0.000 0.284 235 L C 0.114 176.984 176.870 0.001 0.000 1.013 235 L CA -0.537 54.291 54.840 -0.020 0.000 0.819 235 L CB 1.477 43.509 42.059 -0.045 0.000 1.227 235 L HN 0.056 nan 8.230 nan 0.000 0.417 236 D N 2.883 123.299 120.400 0.026 0.000 2.346 236 D HA 0.087 4.725 4.640 -0.004 0.000 0.206 236 D C -0.186 176.284 176.300 0.283 0.000 1.001 236 D CA 0.985 55.076 54.000 0.152 0.000 0.871 236 D CB 0.560 41.511 40.800 0.252 0.000 0.943 236 D HN 0.332 nan 8.370 nan 0.000 0.518 237 F N -1.311 118.749 119.950 0.183 0.000 2.678 237 F HA 0.606 5.131 4.527 -0.004 0.000 0.308 237 F C -0.251 175.696 175.800 0.246 0.000 1.118 237 F CA -1.577 56.565 58.000 0.237 0.000 0.959 237 F CB 0.913 40.167 39.000 0.423 0.000 1.305 237 F HN -0.225 nan 8.300 nan 0.000 0.443 238 G N 0.239 109.315 108.800 0.460 0.000 2.451 238 G HA2 0.570 4.528 3.960 -0.004 0.000 0.303 238 G HA3 0.570 4.528 3.960 -0.004 0.000 0.303 238 G C -1.016 174.277 174.900 0.655 0.000 1.166 238 G CA -0.357 44.977 45.100 0.390 0.000 0.884 238 G HN 1.031 nan 8.290 nan 0.000 0.514 239 T N -1.610 113.302 114.554 0.597 0.000 2.887 239 T HA 0.755 5.103 4.350 -0.004 0.000 0.288 239 T C -0.758 174.326 174.700 0.640 0.000 1.021 239 T CA -0.756 61.687 62.100 0.572 0.000 1.000 239 T CB 1.611 70.750 68.868 0.453 0.000 1.034 239 T HN 1.064 nan 8.240 nan 0.000 0.467 240 F N -1.123 119.090 119.950 0.438 0.000 2.641 240 F HA 0.685 5.210 4.527 -0.004 0.000 0.308 240 F C -0.841 175.330 175.800 0.618 0.000 1.105 240 F CA -1.216 56.943 58.000 0.265 0.000 0.964 240 F CB 1.015 39.791 39.000 -0.374 0.000 1.294 240 F HN 0.767 nan 8.300 nan 0.000 0.442 241 H N 1.500 120.928 119.070 0.597 0.000 2.693 241 H HA 0.849 5.403 4.556 -0.004 0.000 0.348 241 H C -1.601 174.079 175.328 0.585 0.000 1.222 241 H CA -1.457 54.889 56.048 0.496 0.000 1.270 241 H CB 2.695 32.741 29.762 0.473 0.000 1.798 241 H HN 0.699 nan 8.280 nan 0.000 0.592 242 L N 1.626 122.899 121.223 0.084 0.000 2.639 242 L HA 0.245 4.583 4.340 -0.004 0.000 0.264 242 L C -2.182 174.052 176.870 -1.060 0.000 0.948 242 L CA -0.317 54.271 54.840 -0.419 0.000 0.912 242 L CB 0.873 42.884 42.059 -0.080 0.000 1.294 242 L HN 0.581 nan 8.230 nan 0.000 0.412 243 Y N 6.111 125.611 120.300 -1.334 0.000 2.517 243 Y HA 0.383 4.932 4.550 -0.000 0.000 0.346 243 Y C -2.143 173.251 175.900 -0.844 0.000 1.113 243 Y CA -1.349 56.192 58.100 -0.931 0.000 1.295 243 Y CB 1.299 39.188 38.460 -0.952 0.000 1.094 243 Y HN 0.469 nan 8.280 nan 0.000 0.608 244 P HA -0.176 nan 4.420 nan 0.000 0.216 244 P C 1.105 178.337 177.300 -0.113 0.000 1.150 244 P CA 1.759 64.793 63.100 -0.109 0.000 0.843 244 P CB 0.492 32.228 31.700 0.060 0.000 0.787 245 D N -1.155 119.249 120.400 0.007 0.000 2.144 245 D HA -0.085 4.553 4.640 -0.004 0.000 0.199 245 D C 1.679 177.987 176.300 0.014 0.000 0.984 245 D CA 1.357 55.383 54.000 0.043 0.000 0.834 245 D CB -0.306 40.631 40.800 0.229 0.000 0.955 245 D HN 0.206 nan 8.370 nan 0.000 0.465 246 S N -0.574 115.102 115.700 -0.040 0.000 2.503 246 S HA -0.019 4.449 4.470 -0.004 0.000 0.217 246 S C 1.183 175.892 174.600 0.181 0.000 0.999 246 S CA -0.120 58.080 58.200 -0.001 0.000 0.914 246 S CB 0.124 63.276 63.200 -0.079 0.000 0.782 246 S HN 0.326 nan 8.310 nan 0.000 0.520 247 W N 1.229 122.487 121.300 -0.071 0.000 3.278 247 W HA 0.463 5.120 4.660 -0.005 0.000 0.308 247 W C 1.466 177.856 176.519 -0.216 0.000 1.253 247 W CA -0.275 56.984 57.345 -0.144 0.000 1.759 247 W CB -0.975 28.345 29.460 -0.233 0.000 1.093 247 W HN 0.387 nan 8.180 nan 0.000 0.648 248 G N 1.357 110.154 108.800 -0.004 0.000 2.137 248 G HA2 -0.243 3.715 3.960 -0.004 0.000 0.237 248 G HA3 -0.243 3.715 3.960 -0.004 0.000 0.237 248 G C 0.280 175.054 174.900 -0.210 0.000 1.002 248 G CA 0.572 45.613 45.100 -0.098 0.000 0.702 248 G HN 0.247 nan 8.290 nan 0.000 0.515 249 T N -1.997 112.373 114.554 -0.307 0.000 2.926 249 T HA 0.702 5.050 4.350 -0.004 0.000 0.289 249 T C 0.228 174.753 174.700 -0.292 0.000 1.054 249 T CA -0.113 61.700 62.100 -0.479 0.000 1.015 249 T CB 1.922 70.087 68.868 -1.171 0.000 1.167 249 T HN 0.738 nan 8.240 nan 0.000 0.526 250 N N -0.510 118.091 118.700 -0.164 0.000 2.405 250 N HA 0.233 4.971 4.740 -0.004 0.000 0.269 250 N C 0.302 175.861 175.510 0.082 0.000 1.249 250 N CA -0.766 52.218 53.050 -0.110 0.000 0.974 250 N CB -0.145 38.347 38.487 0.009 0.000 1.204 250 N HN 0.570 nan 8.380 nan 0.000 0.565 251 Y N -1.303 119.180 120.300 0.305 0.000 2.220 251 Y HA -0.096 4.451 4.550 -0.005 0.000 0.291 251 Y C 2.646 178.916 175.900 0.616 0.000 1.129 251 Y CA 1.777 60.182 58.100 0.509 0.000 1.161 251 Y CB -1.131 37.535 38.460 0.344 0.000 0.997 251 Y HN 0.764 nan 8.280 nan 0.000 0.522 252 T N -3.262 111.625 114.554 0.556 0.000 2.962 252 T HA -0.276 4.072 4.350 -0.004 0.000 0.270 252 T C 1.675 176.637 174.700 0.437 0.000 1.088 252 T CA 0.993 63.367 62.100 0.457 0.000 1.127 252 T CB -0.917 68.126 68.868 0.292 0.000 0.883 252 T HN 0.581 nan 8.240 nan 0.000 0.493 253 W N 2.358 123.790 121.300 0.220 0.000 2.364 253 W HA 0.057 4.715 4.660 -0.002 0.000 0.281 253 W C 2.204 178.805 176.519 0.137 0.000 1.219 253 W CA 0.783 58.230 57.345 0.169 0.000 1.220 253 W CB -0.565 28.976 29.460 0.135 0.000 1.127 253 W HN 0.315 nan 8.180 nan 0.000 0.556 254 G N 0.946 109.906 108.800 0.267 0.000 2.475 254 G HA2 -0.377 3.581 3.960 -0.004 0.000 0.220 254 G HA3 -0.377 3.581 3.960 -0.004 0.000 0.220 254 G C 1.453 176.192 174.900 -0.268 0.000 1.125 254 G CA 1.312 46.261 45.100 -0.251 0.000 0.755 254 G HN 0.345 nan 8.290 nan 0.000 0.565 255 N N 1.212 119.900 118.700 -0.019 0.000 2.043 255 N HA -0.129 4.609 4.740 -0.004 0.000 0.193 255 N C 2.427 177.871 175.510 -0.109 0.000 1.037 255 N CA 1.544 54.589 53.050 -0.009 0.000 0.851 255 N CB -0.854 37.692 38.487 0.097 0.000 1.027 255 N HN 0.325 nan 8.380 nan 0.000 0.422 256 G N 0.777 109.501 108.800 -0.126 0.000 2.450 256 G HA2 -0.246 3.712 3.960 -0.004 0.000 0.220 256 G HA3 -0.246 3.712 3.960 -0.004 0.000 0.220 256 G C 1.276 176.056 174.900 -0.200 0.000 1.130 256 G CA 0.246 45.250 45.100 -0.161 0.000 0.760 256 G HN 0.448 nan 8.290 nan 0.000 0.557 257 W N 0.971 121.925 121.300 -0.576 0.000 2.358 257 W HA -0.071 4.588 4.660 -0.002 0.000 0.303 257 W C 2.159 178.356 176.519 -0.536 0.000 1.208 257 W CA 0.937 57.919 57.345 -0.606 0.000 1.274 257 W CB -0.124 28.817 29.460 -0.866 0.000 1.138 257 W HN 0.232 nan 8.180 nan 0.000 0.515 258 I N 0.975 121.294 120.570 -0.418 0.000 2.142 258 I HA -0.379 3.789 4.170 -0.004 0.000 0.240 258 I C 2.676 178.552 176.117 -0.402 0.000 1.078 258 I CA 1.677 62.661 61.300 -0.527 0.000 1.343 258 I CB -0.776 36.996 38.000 -0.380 0.000 1.046 258 I HN 0.010 nan 8.210 nan 0.000 0.405 259 Q N 0.214 119.862 119.800 -0.255 0.000 2.061 259 Q HA -0.238 4.100 4.340 -0.004 0.000 0.204 259 Q C 2.318 178.183 176.000 -0.225 0.000 0.984 259 Q CA 2.581 58.276 55.803 -0.180 0.000 0.846 259 Q CB -0.493 28.171 28.738 -0.124 0.000 0.902 259 Q HN 0.671 nan 8.270 nan 0.000 0.421 260 T N -1.807 112.573 114.554 -0.290 0.000 2.746 260 T HA -0.217 4.131 4.350 -0.004 0.000 0.267 260 T C 1.432 175.831 174.700 -0.502 0.000 1.039 260 T CA 1.721 63.611 62.100 -0.349 0.000 1.142 260 T CB -0.555 68.106 68.868 -0.345 0.000 0.866 260 T HN 0.332 nan 8.240 nan 0.000 0.444 261 H N 1.844 120.460 119.070 -0.757 0.000 2.353 261 H HA 0.345 4.899 4.556 -0.003 0.000 0.300 261 H C 2.718 177.873 175.328 -0.288 0.000 1.090 261 H CA 1.441 56.973 56.048 -0.861 0.000 1.327 261 H CB -0.688 27.901 29.762 -1.955 0.000 1.383 261 H HN 0.542 nan 8.280 nan 0.000 0.508 262 A N 0.827 123.571 122.820 -0.126 0.000 1.908 262 A HA -0.171 4.147 4.320 -0.004 0.000 0.218 262 A C 2.515 180.125 177.584 0.043 0.000 1.181 262 A CA 1.755 53.827 52.037 0.058 0.000 0.627 262 A CB -1.082 17.953 19.000 0.057 0.000 0.818 262 A HN 0.486 nan 8.150 nan 0.000 0.445 263 A N -0.283 122.518 122.820 -0.032 0.000 1.898 263 A HA 0.221 4.538 4.320 -0.004 0.000 0.216 263 A C 2.515 180.103 177.584 0.008 0.000 1.181 263 A CA 1.935 53.959 52.037 -0.022 0.000 0.620 263 A CB -1.016 17.943 19.000 -0.068 0.000 0.819 263 A HN 1.044 nan 8.150 nan 0.000 0.442 264 A N -0.842 121.986 122.820 0.012 0.000 1.883 264 A HA -0.195 4.122 4.320 -0.004 0.000 0.217 264 A C 2.338 179.995 177.584 0.122 0.000 1.186 264 A CA 1.722 53.809 52.037 0.083 0.000 0.624 264 A CB -1.363 17.738 19.000 0.170 0.000 0.822 264 A HN 0.582 nan 8.150 nan 0.000 0.444 265 c N -1.463 117.263 118.600 0.210 0.000 2.413 265 c HA -0.122 4.446 4.570 -0.004 0.000 0.278 265 c C 2.536 176.687 174.090 0.102 0.000 1.224 265 c CA 1.328 57.767 56.329 0.183 0.000 1.732 265 c CB -1.412 41.271 42.510 0.289 0.000 2.050 265 c HN 0.677 nan 8.230 nan 0.000 0.463 266 L N 1.572 122.848 121.223 0.089 0.000 2.127 266 L HA -0.070 4.268 4.340 -0.004 0.000 0.211 266 L C 2.468 179.358 176.870 0.032 0.000 1.089 266 L CA 2.208 57.081 54.840 0.054 0.000 0.757 266 L CB -0.792 41.295 42.059 0.046 0.000 0.899 266 L HN 0.310 nan 8.230 nan 0.000 0.434 267 A N -0.885 121.951 122.820 0.027 0.000 2.015 267 A HA 0.045 4.363 4.320 -0.004 0.000 0.219 267 A C 2.249 179.838 177.584 0.007 0.000 1.163 267 A CA 1.281 53.325 52.037 0.011 0.000 0.646 267 A CB -0.814 18.188 19.000 0.004 0.000 0.806 267 A HN 0.501 nan 8.150 nan 0.000 0.448 268 A N -1.755 121.071 122.820 0.011 0.000 2.251 268 A HA 0.427 4.745 4.320 -0.004 0.000 0.209 268 A C 1.681 179.272 177.584 0.011 0.000 1.187 268 A CA 1.078 53.116 52.037 0.001 0.000 0.823 268 A CB -0.866 18.124 19.000 -0.017 0.000 0.846 268 A HN 1.824 nan 8.150 nan 0.000 0.486 269 G N -0.659 108.152 108.800 0.018 0.000 2.147 269 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.244 269 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.244 269 G C 0.027 174.940 174.900 0.022 0.000 1.005 269 G CA 0.734 45.844 45.100 0.017 0.000 0.713 269 G HN 0.634 nan 8.290 nan 0.000 0.515 270 K N 0.029 120.455 120.400 0.044 0.000 2.444 270 K HA 0.651 4.969 4.320 -0.004 0.000 0.252 270 K C -2.758 173.893 176.600 0.085 0.000 0.993 270 K CA -2.241 54.082 56.287 0.060 0.000 0.847 270 K CB 2.812 35.375 32.500 0.105 0.000 1.340 270 K HN -0.009 nan 8.250 nan 0.000 0.446 271 P HA 0.213 nan 4.420 nan 0.000 0.276 271 P C -0.680 176.815 177.300 0.325 0.000 1.244 271 P CA -0.558 62.590 63.100 0.080 0.000 0.801 271 P CB 0.686 32.230 31.700 -0.260 0.000 1.006 272 c N 1.106 119.939 118.600 0.389 0.000 2.435 272 c HA 0.541 5.109 4.570 -0.004 0.000 0.333 272 c C -0.085 174.294 174.090 0.482 0.000 1.202 272 c CA -0.277 56.381 56.329 0.549 0.000 1.830 272 c CB 1.339 44.229 42.510 0.634 0.000 2.326 272 c HN 0.284 nan 8.230 nan 0.000 0.507 273 V N 4.076 124.275 119.914 0.475 0.000 2.409 273 V HA 0.283 4.400 4.120 -0.004 0.000 0.291 273 V C -0.336 175.773 176.094 0.025 0.000 1.020 273 V CA -0.418 62.027 62.300 0.242 0.000 0.848 273 V CB 1.265 33.246 31.823 0.264 0.000 0.990 273 V HN 0.720 nan 8.190 nan 0.000 0.430 274 F N 4.606 124.349 119.950 -0.344 0.000 2.619 274 F HA 0.300 4.825 4.527 -0.004 0.000 0.350 274 F C 1.189 176.877 175.800 -0.186 0.000 1.259 274 F CA -0.442 57.153 58.000 -0.674 0.000 1.204 274 F CB 0.153 38.936 39.000 -0.362 0.000 1.556 274 F HN 0.754 nan 8.300 nan 0.000 0.650 275 E N 2.428 122.611 120.200 -0.027 0.000 2.230 275 E HA 0.014 4.362 4.350 -0.004 0.000 0.192 275 E C -0.266 176.231 176.600 -0.172 0.000 0.987 275 E CA 0.597 57.004 56.400 0.011 0.000 0.841 275 E CB 0.398 30.256 29.700 0.262 0.000 0.783 275 E HN 0.674 nan 8.360 nan 0.000 0.481 276 E N -1.042 118.995 120.200 -0.271 0.000 2.343 276 E HA 0.329 4.677 4.350 -0.004 0.000 0.278 276 E C -1.672 174.767 176.600 -0.268 0.000 0.910 276 E CA -0.813 55.393 56.400 -0.324 0.000 0.757 276 E CB 1.944 31.382 29.700 -0.435 0.000 1.218 276 E HN 0.106 nan 8.360 nan 0.000 0.435 277 Y N -1.295 118.756 120.300 -0.415 0.000 2.573 277 Y HA 0.749 5.297 4.550 -0.003 0.000 0.328 277 Y C -0.621 175.156 175.900 -0.205 0.000 1.170 277 Y CA -0.979 56.831 58.100 -0.484 0.000 1.078 277 Y CB 1.384 39.697 38.460 -0.245 0.000 1.341 277 Y HN 0.643 nan 8.280 nan 0.000 0.459 278 G N 0.284 109.059 108.800 -0.042 0.000 2.601 278 G HA2 0.796 4.754 3.960 -0.004 0.000 0.291 278 G HA3 0.796 4.754 3.960 -0.004 0.000 0.291 278 G C -2.205 173.023 174.900 0.547 0.000 1.456 278 G CA -0.534 44.718 45.100 0.254 0.000 0.804 278 G HN 1.411 nan 8.290 nan 0.000 0.499 279 A N -0.071 123.087 122.820 0.564 0.000 2.381 279 A HA 0.672 4.990 4.320 -0.004 0.000 0.299 279 A C 0.399 178.178 177.584 0.325 0.000 1.049 279 A CA -0.415 51.875 52.037 0.421 0.000 0.715 279 A CB 1.748 20.606 19.000 -0.236 0.000 1.222 279 A HN 0.603 nan 8.150 nan 0.000 0.428 280 Q N 0.411 120.402 119.800 0.318 0.000 2.187 280 Q HA -0.029 4.309 4.340 -0.004 0.000 0.199 280 Q C -0.006 176.017 176.000 0.039 0.000 0.957 280 Q CA 0.811 56.642 55.803 0.046 0.000 0.857 280 Q CB 0.136 28.852 28.738 -0.036 0.000 0.929 280 Q HN 0.731 nan 8.270 nan 0.000 0.453 281 Q N 1.414 121.265 119.800 0.085 0.000 2.278 281 Q HA 0.156 4.494 4.340 -0.004 0.000 0.257 281 Q C -0.567 175.364 176.000 -0.115 0.000 0.928 281 Q CA -0.288 55.533 55.803 0.029 0.000 0.932 281 Q CB 1.024 29.848 28.738 0.144 0.000 1.221 281 Q HN 0.210 nan 8.270 nan 0.000 0.434 282 N N 2.641 121.287 118.700 -0.089 0.000 2.650 282 N HA -0.167 4.571 4.740 -0.004 0.000 0.272 282 N C -1.905 173.471 175.510 -0.222 0.000 1.058 282 N CA 0.366 53.338 53.050 -0.131 0.000 0.765 282 N CB -0.524 37.892 38.487 -0.118 0.000 0.902 282 N HN 0.485 nan 8.380 nan 0.000 0.551 283 P HA -0.110 nan 4.420 nan 0.000 0.219 283 P C 1.705 178.859 177.300 -0.242 0.000 1.150 283 P CA 0.610 63.580 63.100 -0.215 0.000 0.814 283 P CB 0.115 31.759 31.700 -0.093 0.000 0.787 284 c N 0.082 118.573 118.600 -0.182 0.000 2.436 284 c HA -0.100 4.468 4.570 -0.004 0.000 0.277 284 c C 2.817 176.786 174.090 -0.202 0.000 1.241 284 c CA 2.028 58.253 56.329 -0.173 0.000 1.721 284 c CB -1.705 40.731 42.510 -0.123 0.000 2.043 284 c HN 0.216 nan 8.230 nan 0.000 0.472 285 T N 1.301 115.740 114.554 -0.192 0.000 2.708 285 T HA -0.111 4.237 4.350 -0.004 0.000 0.266 285 T C 1.584 176.116 174.700 -0.280 0.000 1.037 285 T CA 1.822 63.810 62.100 -0.186 0.000 1.146 285 T CB -0.381 68.407 68.868 -0.133 0.000 0.865 285 T HN 0.586 nan 8.240 nan 0.000 0.435 286 N N 0.884 119.334 118.700 -0.417 0.000 2.376 286 N HA 0.009 4.747 4.740 -0.004 0.000 0.177 286 N C 1.734 176.627 175.510 -1.028 0.000 1.024 286 N CA 0.720 53.394 53.050 -0.626 0.000 0.893 286 N CB 0.037 37.987 38.487 -0.894 0.000 0.980 286 N HN 0.580 nan 8.380 nan 0.000 0.439 287 E N 0.758 120.434 120.200 -0.873 0.000 2.276 287 E HA 0.174 4.522 4.350 -0.004 0.000 0.193 287 E C 1.852 178.168 176.600 -0.474 0.000 0.983 287 E CA 0.190 56.036 56.400 -0.922 0.000 0.861 287 E CB 0.119 29.588 29.700 -0.385 0.000 0.817 287 E HN 0.214 nan 8.360 nan 0.000 0.485 288 A N 2.749 125.370 122.820 -0.333 0.000 1.917 288 A HA -0.150 4.168 4.320 -0.004 0.000 0.219 288 A C -0.260 177.239 177.584 -0.143 0.000 1.182 288 A CA 1.430 53.345 52.037 -0.203 0.000 0.633 288 A CB -1.424 17.482 19.000 -0.156 0.000 0.819 288 A HN 0.160 nan 8.150 nan 0.000 0.448 289 P HA -0.128 nan 4.420 nan 0.000 0.217 289 P C 1.072 178.442 177.300 0.117 0.000 1.151 289 P CA 0.908 63.994 63.100 -0.023 0.000 0.828 289 P CB -0.280 31.410 31.700 -0.017 0.000 0.788 290 W N 0.822 122.110 121.300 -0.020 0.000 2.338 290 W HA -0.064 4.592 4.660 -0.005 0.000 0.304 290 W C 2.322 178.824 176.519 -0.028 0.000 1.212 290 W CA 0.701 58.035 57.345 -0.019 0.000 1.264 290 W CB -1.912 27.556 29.460 0.014 0.000 1.142 290 W HN 0.175 nan 8.180 nan 0.000 0.512 291 Q N -0.682 119.178 119.800 0.101 0.000 2.096 291 Q HA -0.151 4.187 4.340 -0.004 0.000 0.204 291 Q C 2.058 178.080 176.000 0.037 0.000 0.982 291 Q CA 2.366 58.119 55.803 -0.084 0.000 0.850 291 Q CB -0.644 27.801 28.738 -0.489 0.000 0.901 291 Q HN 0.174 nan 8.270 nan 0.000 0.422 292 T N 0.201 114.777 114.554 0.036 0.000 2.821 292 T HA -0.104 4.244 4.350 -0.004 0.000 0.267 292 T C 1.915 176.638 174.700 0.038 0.000 1.046 292 T CA 1.570 63.695 62.100 0.042 0.000 1.139 292 T CB -0.280 68.603 68.868 0.025 0.000 0.871 292 T HN 0.318 nan 8.240 nan 0.000 0.454 293 T N 1.338 115.930 114.554 0.064 0.000 2.708 293 T HA -0.115 4.233 4.350 -0.004 0.000 0.266 293 T C 2.308 177.032 174.700 0.039 0.000 1.037 293 T CA 1.538 63.664 62.100 0.044 0.000 1.146 293 T CB -0.473 68.425 68.868 0.051 0.000 0.865 293 T HN 0.355 nan 8.240 nan 0.000 0.435 294 S N 0.729 116.481 115.700 0.086 0.000 2.368 294 S HA -0.064 4.404 4.470 -0.004 0.000 0.225 294 S C 1.995 176.658 174.600 0.106 0.000 1.030 294 S CA 0.814 59.117 58.200 0.170 0.000 0.999 294 S CB -0.451 62.983 63.200 0.390 0.000 0.844 294 S HN 0.313 nan 8.310 nan 0.000 0.459 295 L N 2.044 123.212 121.223 -0.092 0.000 2.083 295 L HA 0.018 4.356 4.340 -0.004 0.000 0.209 295 L C 2.231 178.943 176.870 -0.263 0.000 1.083 295 L CA 2.483 57.005 54.840 -0.531 0.000 0.752 295 L CB -1.167 40.665 42.059 -0.379 0.000 0.899 295 L HN 0.563 nan 8.230 nan 0.000 0.433 296 T N -4.401 110.095 114.554 -0.097 0.000 3.163 296 T HA 0.167 4.515 4.350 -0.004 0.000 0.252 296 T C 0.503 175.198 174.700 -0.009 0.000 1.056 296 T CA -0.056 62.015 62.100 -0.048 0.000 0.947 296 T CB -0.753 68.099 68.868 -0.028 0.000 1.016 296 T HN 0.227 nan 8.240 nan 0.000 0.554 297 T N 2.705 117.270 114.554 0.019 0.000 2.779 297 T HA 0.422 4.770 4.350 -0.004 0.000 0.280 297 T C 0.053 174.791 174.700 0.065 0.000 0.987 297 T CA -0.761 61.360 62.100 0.035 0.000 0.966 297 T CB 1.473 70.359 68.868 0.031 0.000 0.933 297 T HN 0.225 nan 8.240 nan 0.000 0.442 298 R N 1.389 121.917 120.500 0.047 0.000 2.623 298 R HA 0.359 4.697 4.340 -0.004 0.000 0.271 298 R C 1.433 177.779 176.300 0.077 0.000 1.043 298 R CA 1.291 57.426 56.100 0.059 0.000 1.083 298 R CB 0.248 30.571 30.300 0.037 0.000 0.974 298 R HN 1.077 nan 8.270 nan 0.000 0.436 299 G N 1.946 110.803 108.800 0.096 0.000 2.254 299 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.225 299 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.225 299 G C 0.071 175.080 174.900 0.182 0.000 1.003 299 G CA -0.428 44.743 45.100 0.118 0.000 0.622 299 G HN 0.395 nan 8.290 nan 0.000 0.507 300 M N 1.862 121.592 119.600 0.217 0.000 2.120 300 M HA 0.516 4.994 4.480 -0.004 0.000 0.354 300 M C 1.538 178.013 176.300 0.292 0.000 1.287 300 M CA 0.139 55.619 55.300 0.300 0.000 1.103 300 M CB 0.618 33.442 32.600 0.373 0.000 1.623 300 M HN 0.291 nan 8.290 nan 0.000 0.471 301 G N 1.696 110.626 108.800 0.217 0.000 3.020 301 G HA2 0.476 4.434 3.960 -0.004 0.000 0.217 301 G HA3 0.476 4.434 3.960 -0.004 0.000 0.217 301 G C 0.513 175.227 174.900 -0.310 0.000 1.144 301 G CA 0.326 45.537 45.100 0.186 0.000 0.760 301 G HN 0.902 nan 8.290 nan 0.000 0.548 302 G N -0.244 108.106 108.800 -0.749 0.000 2.338 302 G HA2 0.464 4.422 3.960 -0.004 0.000 0.295 302 G HA3 0.464 4.422 3.960 -0.004 0.000 0.295 302 G C -2.373 172.026 174.900 -0.836 0.000 1.461 302 G CA -0.216 43.822 45.100 -1.771 0.000 0.817 302 G HN 0.403 nan 8.290 nan 0.000 0.556 303 D N -1.684 118.335 120.400 -0.635 0.000 2.857 303 D HA 0.667 5.304 4.640 -0.004 0.000 0.227 303 D C -0.431 175.861 176.300 -0.014 0.000 1.192 303 D CA -0.767 53.197 54.000 -0.061 0.000 0.857 303 D CB 1.880 42.865 40.800 0.309 0.000 1.645 303 D HN 0.481 nan 8.370 nan 0.000 0.482 304 M N 2.475 122.055 119.600 -0.033 0.000 2.035 304 M HA 0.320 4.798 4.480 -0.004 0.000 0.286 304 M C -1.126 174.933 176.300 -0.402 0.000 0.907 304 M CA -1.019 54.188 55.300 -0.154 0.000 0.935 304 M CB 1.303 33.794 32.600 -0.181 0.000 1.557 304 M HN 0.483 nan 8.290 nan 0.000 0.426 305 F N 0.542 120.159 119.950 -0.555 0.000 2.496 305 F HA 0.262 4.786 4.527 -0.005 0.000 0.344 305 F C -0.254 175.272 175.800 -0.457 0.000 1.155 305 F CA -0.503 56.873 58.000 -1.041 0.000 1.302 305 F CB 0.535 39.103 39.000 -0.720 0.000 1.159 305 F HN 0.684 nan 8.300 nan 0.000 0.595 306 W N 6.788 127.832 121.300 -0.427 0.000 2.175 306 W HA 0.403 5.059 4.660 -0.006 0.000 0.350 306 W C -1.424 175.147 176.519 0.087 0.000 0.877 306 W CA -0.441 56.793 57.345 -0.184 0.000 1.544 306 W CB 0.335 29.739 29.460 -0.094 0.000 1.585 306 W HN 0.914 nan 8.180 nan 0.000 0.347 307 Q N 3.236 122.986 119.800 -0.084 0.000 2.666 307 Q HA 0.114 4.451 4.340 -0.004 0.000 0.276 307 Q C -1.528 174.400 176.000 -0.120 0.000 0.952 307 Q CA -0.870 54.611 55.803 -0.537 0.000 0.850 307 Q CB 0.917 28.871 28.738 -1.307 0.000 1.512 307 Q HN 0.317 nan 8.270 nan 0.000 0.395 308 W N 1.910 122.983 121.300 -0.377 0.000 2.158 308 W HA 0.564 5.221 4.660 -0.004 0.000 0.339 308 W C -0.544 175.979 176.519 0.008 0.000 1.294 308 W CA 1.236 58.535 57.345 -0.078 0.000 1.231 308 W CB 1.449 30.805 29.460 -0.174 0.000 1.143 308 W HN 0.877 nan 8.180 nan 0.000 0.571 309 G N 3.898 112.393 108.800 -0.510 0.000 2.542 309 G HA2 0.413 4.371 3.960 -0.004 0.000 0.311 309 G HA3 0.413 4.371 3.960 -0.004 0.000 0.311 309 G C -1.793 172.950 174.900 -0.261 0.000 1.298 309 G CA -0.317 44.356 45.100 -0.711 0.000 0.973 309 G HN 0.439 nan 8.290 nan 0.000 0.487 310 D N -0.883 119.553 120.400 0.058 0.000 2.692 310 D HA 0.689 5.327 4.640 -0.004 0.000 0.303 310 D C -0.596 175.609 176.300 -0.158 0.000 1.278 310 D CA -0.123 53.997 54.000 0.200 0.000 0.852 310 D CB 2.374 43.494 40.800 0.532 0.000 1.375 310 D HN 0.649 nan 8.370 nan 0.000 0.453 311 T N -1.712 112.680 114.554 -0.271 0.000 2.903 311 T HA 0.733 5.081 4.350 -0.004 0.000 0.299 311 T C -0.849 173.622 174.700 -0.382 0.000 1.093 311 T CA -0.596 61.167 62.100 -0.562 0.000 1.002 311 T CB 0.899 69.610 68.868 -0.262 0.000 1.127 311 T HN 0.139 nan 8.240 nan 0.000 0.488 312 F N 0.430 120.428 119.950 0.079 0.000 2.509 312 F HA 0.768 5.292 4.527 -0.005 0.000 0.334 312 F C 1.823 177.654 175.800 0.053 0.000 1.060 312 F CA -1.432 56.610 58.000 0.069 0.000 0.997 312 F CB 0.497 39.523 39.000 0.043 0.000 1.271 312 F HN 0.823 nan 8.300 nan 0.000 0.488 313 A N 0.953 123.927 122.820 0.257 0.000 1.978 313 A HA -0.219 4.099 4.320 -0.004 0.000 0.220 313 A C 1.716 179.363 177.584 0.106 0.000 1.170 313 A CA 1.981 54.103 52.037 0.142 0.000 0.636 313 A CB -1.067 17.996 19.000 0.105 0.000 0.810 313 A HN 0.752 nan 8.150 nan 0.000 0.448 314 N N -1.006 117.767 118.700 0.122 0.000 2.449 314 N HA 0.212 4.950 4.740 -0.004 0.000 0.191 314 N C 1.011 176.560 175.510 0.066 0.000 1.161 314 N CA 1.261 54.359 53.050 0.080 0.000 0.863 314 N CB -0.326 38.204 38.487 0.071 0.000 0.980 314 N HN 0.806 nan 8.380 nan 0.000 0.458 315 G N -1.227 107.611 108.800 0.063 0.000 2.195 315 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.246 315 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.246 315 G C 0.265 175.162 174.900 -0.006 0.000 0.984 315 G CA 0.187 45.293 45.100 0.008 0.000 0.633 315 G HN 0.823 nan 8.290 nan 0.000 0.525 316 A N 0.474 123.332 122.820 0.064 0.000 2.407 316 A HA 0.614 4.931 4.320 -0.004 0.000 0.248 316 A C 0.678 178.210 177.584 -0.086 0.000 1.082 316 A CA 0.906 52.986 52.037 0.072 0.000 0.785 316 A CB 0.264 19.399 19.000 0.224 0.000 1.020 316 A HN 1.220 nan 8.150 nan 0.000 0.489 317 Q N 1.408 121.126 119.800 -0.137 0.000 2.204 317 Q HA 0.602 4.939 4.340 -0.004 0.000 0.254 317 Q C 0.004 175.868 176.000 -0.226 0.000 0.981 317 Q CA -0.297 55.336 55.803 -0.284 0.000 0.897 317 Q CB 1.097 29.711 28.738 -0.208 0.000 1.273 317 Q HN 0.804 nan 8.270 nan 0.000 0.464 318 S N 1.559 116.998 115.700 -0.436 0.000 2.596 318 S HA 0.139 4.606 4.470 -0.004 0.000 0.260 318 S C 0.097 174.417 174.600 -0.467 0.000 1.336 318 S CA -0.628 57.212 58.200 -0.599 0.000 0.993 318 S CB 0.134 62.386 63.200 -1.581 0.000 0.923 318 S HN 0.660 nan 8.310 nan 0.000 0.567 319 N N 1.253 119.587 118.700 -0.611 0.000 2.395 319 N HA 0.326 5.064 4.740 -0.004 0.000 0.246 319 N C -0.076 175.183 175.510 -0.417 0.000 1.246 319 N CA 0.417 53.272 53.050 -0.325 0.000 0.879 319 N CB 0.444 38.861 38.487 -0.118 0.000 1.098 319 N HN 0.867 nan 8.380 nan 0.000 0.444 320 S N -0.742 114.903 115.700 -0.091 0.000 2.656 320 S HA 0.760 5.228 4.470 -0.004 0.000 0.273 320 S C -1.417 173.247 174.600 0.106 0.000 1.168 320 S CA -0.929 57.219 58.200 -0.087 0.000 0.817 320 S CB 2.355 65.500 63.200 -0.092 0.000 1.146 320 S HN 0.589 nan 8.310 nan 0.000 0.475 321 D N -1.349 119.121 120.400 0.116 0.000 2.759 321 D HA 0.514 5.152 4.640 -0.004 0.000 0.321 321 D C -2.762 173.588 176.300 0.084 0.000 1.267 321 D CA -1.430 52.670 54.000 0.166 0.000 0.933 321 D CB -0.047 40.951 40.800 0.329 0.000 1.431 321 D HN 0.262 nan 8.370 nan 0.000 0.504 322 P HA 0.010 nan 4.420 nan 0.000 0.228 322 P C 0.293 177.480 177.300 -0.190 0.000 1.151 322 P CA 1.035 64.043 63.100 -0.153 0.000 0.770 322 P CB -0.111 31.422 31.700 -0.279 0.000 0.786 323 Y N -2.062 118.349 120.300 0.186 0.000 2.478 323 Y HA 0.133 4.681 4.550 -0.002 0.000 0.261 323 Y C 1.097 177.052 175.900 0.090 0.000 1.127 323 Y CA 0.057 58.288 58.100 0.219 0.000 1.288 323 Y CB -1.180 37.566 38.460 0.476 0.000 1.084 323 Y HN -0.264 nan 8.280 nan 0.000 0.530 324 T N 1.828 116.426 114.554 0.074 0.000 2.908 324 T HA 0.140 4.488 4.350 -0.004 0.000 0.301 324 T C 0.006 174.543 174.700 -0.272 0.000 1.019 324 T CA 0.206 62.174 62.100 -0.220 0.000 1.152 324 T CB 0.527 69.044 68.868 -0.585 0.000 0.966 324 T HN -0.193 nan 8.240 nan 0.000 0.540 325 V N 5.218 125.004 119.914 -0.214 0.000 2.311 325 V HA 0.230 4.348 4.120 -0.004 0.000 0.275 325 V C -0.187 175.723 176.094 -0.306 0.000 1.022 325 V CA -1.061 61.138 62.300 -0.169 0.000 0.830 325 V CB 0.220 31.962 31.823 -0.135 0.000 1.012 325 V HN 0.841 nan 8.190 nan 0.000 0.452 326 W N 3.671 124.882 121.300 -0.149 0.000 2.253 326 W HA 0.302 4.958 4.660 -0.007 0.000 0.322 326 W C 0.396 176.727 176.519 -0.313 0.000 1.342 326 W CA -0.234 56.968 57.345 -0.239 0.000 1.218 326 W CB 0.227 29.573 29.460 -0.190 0.000 1.205 326 W HN 0.602 nan 8.180 nan 0.000 0.551 327 Y N 4.807 124.864 120.300 -0.405 0.000 2.712 327 Y HA -0.138 4.409 4.550 -0.004 0.000 0.333 327 Y C 1.151 176.698 175.900 -0.589 0.000 1.225 327 Y CA 0.663 58.385 58.100 -0.630 0.000 1.499 327 Y CB 0.187 38.374 38.460 -0.456 0.000 1.288 327 Y HN 0.678 nan 8.280 nan 0.000 0.575 328 N N 0.895 118.548 118.700 -1.745 0.000 2.863 328 N HA -0.238 4.499 4.740 -0.004 0.000 0.245 328 N C -0.305 174.897 175.510 -0.514 0.000 1.001 328 N CA 1.200 53.367 53.050 -1.472 0.000 0.901 328 N CB -1.475 36.230 38.487 -1.303 0.000 1.124 328 N HN 0.724 nan 8.380 nan 0.000 0.582 329 S N -2.057 113.528 115.700 -0.192 0.000 2.661 329 S HA 0.479 4.947 4.470 -0.004 0.000 0.265 329 S C 1.578 176.229 174.600 0.084 0.000 1.225 329 S CA 0.128 58.311 58.200 -0.029 0.000 0.986 329 S CB 1.321 64.551 63.200 0.049 0.000 1.008 329 S HN 0.105 nan 8.310 nan 0.000 0.565 330 S N 1.045 116.772 115.700 0.045 0.000 2.370 330 S HA -0.143 4.325 4.470 -0.004 0.000 0.226 330 S C 1.718 176.338 174.600 0.033 0.000 1.033 330 S CA 1.781 60.005 58.200 0.041 0.000 1.011 330 S CB -0.949 62.253 63.200 0.002 0.000 0.852 330 S HN 0.790 nan 8.310 nan 0.000 0.457 331 N N -0.457 118.258 118.700 0.026 0.000 2.309 331 N HA -0.105 4.633 4.740 -0.004 0.000 0.182 331 N C 1.447 176.933 175.510 -0.040 0.000 1.018 331 N CA 0.933 53.965 53.050 -0.030 0.000 0.876 331 N CB -0.131 38.333 38.487 -0.037 0.000 0.972 331 N HN 0.565 nan 8.380 nan 0.000 0.434 332 W N 2.404 123.610 121.300 -0.156 0.000 2.355 332 W HA -0.183 4.475 4.660 -0.004 0.000 0.309 332 W C 2.435 178.894 176.519 -0.099 0.000 1.206 332 W CA 1.249 58.499 57.345 -0.157 0.000 1.284 332 W CB -0.277 29.086 29.460 -0.162 0.000 1.145 332 W HN 0.035 nan 8.180 nan 0.000 0.502 333 Q N -0.065 119.770 119.800 0.057 0.000 2.030 333 Q HA -0.317 4.021 4.340 -0.004 0.000 0.204 333 Q C 2.370 178.222 176.000 -0.246 0.000 0.986 333 Q CA 2.580 58.281 55.803 -0.170 0.000 0.843 333 Q CB -1.028 27.733 28.738 0.038 0.000 0.904 333 Q HN 0.421 nan 8.270 nan 0.000 0.420 334 c N -0.056 118.450 118.600 -0.157 0.000 2.453 334 c HA -0.009 4.559 4.570 -0.004 0.000 0.277 334 c C 2.370 176.346 174.090 -0.190 0.000 1.262 334 c CA 0.641 56.880 56.329 -0.149 0.000 1.718 334 c CB -0.877 41.561 42.510 -0.121 0.000 2.031 334 c HN 0.637 nan 8.230 nan 0.000 0.480 335 L N -0.122 120.948 121.223 -0.254 0.000 2.585 335 L HA 0.159 4.497 4.340 -0.004 0.000 0.226 335 L C 1.713 178.397 176.870 -0.308 0.000 1.113 335 L CA 0.108 54.771 54.840 -0.294 0.000 0.876 335 L CB 0.099 41.924 42.059 -0.390 0.000 1.072 335 L HN 0.276 nan 8.230 nan 0.000 0.468 336 V N -1.092 118.597 119.914 -0.375 0.000 3.444 336 V HA -0.020 4.098 4.120 -0.004 0.000 0.210 336 V C 2.046 177.920 176.094 -0.366 0.000 1.217 336 V CA 0.375 62.483 62.300 -0.321 0.000 1.302 336 V CB 0.012 31.548 31.823 -0.477 0.000 1.341 336 V HN 0.165 nan 8.190 nan 0.000 0.522 337 K N 0.743 120.672 120.400 -0.786 0.000 2.026 337 K HA -0.217 4.101 4.320 -0.004 0.000 0.208 337 K C 1.868 178.319 176.600 -0.248 0.000 1.048 337 K CA 2.161 58.117 56.287 -0.553 0.000 0.929 337 K CB -0.186 31.844 32.500 -0.783 0.000 0.713 337 K HN 0.403 nan 8.250 nan 0.000 0.439 338 N N 0.265 118.838 118.700 -0.211 0.000 2.244 338 N HA -0.165 4.573 4.740 -0.004 0.000 0.183 338 N C 1.696 177.205 175.510 -0.002 0.000 1.016 338 N CA 1.163 54.157 53.050 -0.092 0.000 0.866 338 N CB -0.523 37.915 38.487 -0.081 0.000 0.980 338 N HN 0.389 nan 8.380 nan 0.000 0.430 339 H N 0.800 119.809 119.070 -0.102 0.000 2.333 339 H HA 0.103 4.657 4.556 -0.003 0.000 0.302 339 H C 1.886 177.213 175.328 -0.002 0.000 1.075 339 H CA 1.085 57.114 56.048 -0.032 0.000 1.348 339 H CB -0.382 29.383 29.762 0.006 0.000 1.393 339 H HN -0.120 nan 8.280 nan 0.000 0.509 340 V N 0.985 120.861 119.914 -0.062 0.000 2.392 340 V HA -0.257 3.861 4.120 -0.004 0.000 0.249 340 V C 2.016 178.069 176.094 -0.069 0.000 1.059 340 V CA 2.206 64.452 62.300 -0.091 0.000 1.051 340 V CB -0.454 31.358 31.823 -0.018 0.000 0.658 340 V HN 0.474 nan 8.190 nan 0.000 0.455 341 D N 0.285 120.655 120.400 -0.051 0.000 2.144 341 D HA -0.112 4.526 4.640 -0.004 0.000 0.199 341 D C 2.200 178.479 176.300 -0.035 0.000 0.984 341 D CA 1.615 55.595 54.000 -0.033 0.000 0.834 341 D CB -0.287 40.495 40.800 -0.030 0.000 0.955 341 D HN 0.458 nan 8.370 nan 0.000 0.465 342 A N 0.278 123.072 122.820 -0.042 0.000 1.969 342 A HA -0.077 4.241 4.320 -0.004 0.000 0.218 342 A C 2.321 179.864 177.584 -0.069 0.000 1.169 342 A CA 0.622 52.637 52.037 -0.038 0.000 0.635 342 A CB -0.522 18.480 19.000 0.002 0.000 0.810 342 A HN 0.193 nan 8.150 nan 0.000 0.445 343 I N 0.190 120.691 120.570 -0.116 0.000 2.252 343 I HA -0.193 3.975 4.170 -0.004 0.000 0.245 343 I C 1.486 177.587 176.117 -0.026 0.000 1.102 343 I CA 0.596 61.841 61.300 -0.093 0.000 1.385 343 I CB -0.702 37.242 38.000 -0.093 0.000 1.064 343 I HN 0.603 nan 8.210 nan 0.000 0.414 344 N N 0.000 118.690 118.700 -0.016 0.000 1.763 344 N HA 0.000 4.738 4.740 -0.004 0.000 0.220 344 N CA 0.000 53.052 53.050 0.004 0.000 0.885 344 N CB 0.000 38.487 38.487 0.001 0.000 1.341 344 N HN 0.000 nan 8.380 nan 0.000 0.667