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 1gll_1_Y DATA FIRST_RESID 2 DATA SEQUENCE EKKYIVALDQ GTTSSRAVVM DHDANIISVS QREFEQIYPK PGWVEHDPME DATA SEQUENCE IWATQSWTLV EVLAKADISS DQIAAIGITN QRETTIVWEK ETGKPIYNAI DATA SEQUENCE VWQCRRTAEI CEHLKRDGLE DYIRSNTGLV IDPYFSGTKV KWILDHVEGS DATA SEQUENCE RERARRGELL FGTVDTWLIW KMTQGRVHVT DYTNASRTML FNIHTLDWDD DATA SEQUENCE KMLEVLDIPR EMLPEVRRSS EVYGQTNIGX XXXTRIPISG IAGDQQAALF DATA SEQUENCE GQLCVKEGMA KNTYGTGCFM LMNTGEKAVK SENGLLTTIA CGPTGEVNYA DATA SEQUENCE LEGAVFMAGA SIQWLRDEMK LINDAYDSEY FATKVQNTNG VYVVPAFTGL DATA SEQUENCE GAPYWDPYAR GAIFGLTRGV NANHIIRATL ESIAYQTRDV LEAMQADSGI DATA SEQUENCE RLHALRVDGG AVANNFLMQF QSDILGTRVE RPEVREVTAL GAAYLAGLAV DATA SEQUENCE GFWQNLDELQ EKAVIEREFR PGIETTERNY RYAGWKKAVK RAMAWEEH 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.595 176.600 -0.008 0.000 1.382 2 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 2 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 3 K N 1.335 121.732 120.400 -0.004 0.000 2.334 3 K HA 0.367 4.687 4.320 0.000 0.000 0.265 3 K C -0.085 176.504 176.600 -0.018 0.000 1.039 3 K CA -0.122 56.167 56.287 0.004 0.000 0.920 3 K CB 1.323 33.848 32.500 0.041 0.000 1.160 3 K HN 0.018 nan 8.250 nan 0.000 0.451 4 K N 2.065 122.335 120.400 -0.217 0.000 2.361 4 K HA 0.102 4.422 4.320 0.000 0.000 0.194 4 K C -0.536 175.650 176.600 -0.690 0.000 1.032 4 K CA 0.573 56.581 56.287 -0.465 0.000 1.048 4 K CB 0.467 32.511 32.500 -0.759 0.000 0.842 4 K HN 0.458 nan 8.250 nan 0.000 0.526 5 Y N -0.670 119.648 120.300 0.030 0.000 2.662 5 Y HA 0.476 5.027 4.550 0.000 0.000 0.335 5 Y C -0.438 175.280 175.900 -0.303 0.000 1.066 5 Y CA -1.265 56.779 58.100 -0.094 0.000 1.116 5 Y CB 1.275 39.726 38.460 -0.015 0.000 1.308 5 Y HN -0.257 nan 8.280 nan 0.000 0.502 6 I N 1.166 121.734 120.570 -0.003 0.000 2.533 6 I HA 0.591 4.761 4.170 0.000 0.000 0.290 6 I C -1.784 174.359 176.117 0.044 0.000 1.056 6 I CA -0.938 60.312 61.300 -0.083 0.000 1.057 6 I CB 1.459 39.346 38.000 -0.188 0.000 1.240 6 I HN 0.396 nan 8.210 nan 0.000 0.423 7 V N 7.440 127.371 119.914 0.029 0.000 2.334 7 V HA 0.556 4.676 4.120 0.000 0.000 0.281 7 V C 0.442 176.564 176.094 0.046 0.000 1.016 7 V CA -0.551 61.772 62.300 0.038 0.000 0.832 7 V CB 1.246 33.086 31.823 0.029 0.000 0.999 7 V HN 0.803 nan 8.190 nan 0.000 0.439 8 A N 6.555 129.406 122.820 0.051 0.000 2.354 8 A HA 0.777 5.097 4.320 0.000 0.000 0.269 8 A C -0.723 176.890 177.584 0.049 0.000 1.109 8 A CA -0.290 51.779 52.037 0.052 0.000 0.800 8 A CB 0.386 19.417 19.000 0.051 0.000 1.045 8 A HN 0.607 nan 8.150 nan 0.000 0.489 9 L N 2.552 123.806 121.223 0.053 0.000 2.356 9 L HA 0.490 4.830 4.340 0.000 0.000 0.277 9 L C -0.939 175.968 176.870 0.062 0.000 0.996 9 L CA -0.229 54.647 54.840 0.059 0.000 0.822 9 L CB 1.516 43.614 42.059 0.065 0.000 1.256 9 L HN 0.855 nan 8.230 nan 0.000 0.413 10 D N 2.639 123.082 120.400 0.072 0.000 2.421 10 D HA 0.174 4.815 4.640 0.000 0.000 0.254 10 D C -0.597 175.770 176.300 0.113 0.000 1.238 10 D CA -0.279 53.768 54.000 0.079 0.000 0.919 10 D CB 1.216 42.055 40.800 0.066 0.000 1.152 10 D HN 0.220 nan 8.370 nan 0.000 0.552 11 Q N 2.460 122.335 119.800 0.125 0.000 2.314 11 Q HA 0.594 4.934 4.340 0.000 0.000 0.257 11 Q C -0.344 175.780 176.000 0.207 0.000 0.975 11 Q CA -0.384 55.525 55.803 0.176 0.000 0.933 11 Q CB 1.323 30.156 28.738 0.159 0.000 1.195 11 Q HN 0.643 nan 8.270 nan 0.000 0.426 12 G N 1.545 110.524 108.800 0.298 0.000 2.685 12 G HA2 0.361 4.321 3.960 0.000 0.000 0.298 12 G HA3 0.361 4.321 3.960 0.000 0.000 0.298 12 G C 0.530 175.704 174.900 0.456 0.000 1.277 12 G CA -0.372 44.906 45.100 0.297 0.000 0.986 12 G HN 0.559 nan 8.290 nan 0.000 0.487 13 T N -0.461 114.342 114.554 0.414 0.000 2.778 13 T HA -0.170 4.181 4.350 0.000 0.000 0.269 13 T C 2.189 177.092 174.700 0.338 0.000 1.050 13 T CA 2.389 64.803 62.100 0.524 0.000 1.137 13 T CB -0.257 68.933 68.868 0.536 0.000 0.860 13 T HN 0.811 nan 8.240 nan 0.000 0.468 14 T N -1.964 112.557 114.554 -0.056 0.000 2.969 14 T HA 0.341 4.692 4.350 0.000 0.000 0.258 14 T C 0.467 174.515 174.700 -1.086 0.000 0.962 14 T CA 0.138 61.873 62.100 -0.608 0.000 0.903 14 T CB 0.386 69.111 68.868 -0.238 0.000 1.177 14 T HN 0.440 nan 8.240 nan 0.000 0.511 15 S N 0.382 115.777 115.700 -0.507 0.000 2.535 15 S HA 0.663 5.133 4.470 0.000 0.000 0.272 15 S C -1.022 173.701 174.600 0.205 0.000 1.149 15 S CA -0.747 57.329 58.200 -0.208 0.000 0.888 15 S CB 1.786 64.922 63.200 -0.107 0.000 1.110 15 S HN 0.156 nan 8.310 nan 0.000 0.463 16 S N 2.151 118.033 115.700 0.303 0.000 2.545 16 S HA 0.561 5.031 4.470 0.000 0.000 0.275 16 S C -0.106 174.583 174.600 0.148 0.000 1.299 16 S CA -0.796 57.550 58.200 0.243 0.000 1.048 16 S CB 0.195 63.511 63.200 0.194 0.000 0.938 16 S HN 0.617 nan 8.310 nan 0.000 0.496 17 R N 0.997 121.570 120.500 0.121 0.000 2.744 17 R HA 0.749 5.089 4.340 0.000 0.000 0.279 17 R C -1.136 175.209 176.300 0.075 0.000 0.977 17 R CA -0.832 55.322 56.100 0.089 0.000 0.906 17 R CB 2.039 32.384 30.300 0.075 0.000 1.197 17 R HN 0.626 nan 8.270 nan 0.000 0.463 18 A N 1.868 124.725 122.820 0.061 0.000 2.355 18 A HA 0.712 5.033 4.320 0.000 0.000 0.317 18 A C -0.987 176.618 177.584 0.035 0.000 1.094 18 A CA -0.660 51.405 52.037 0.046 0.000 0.764 18 A CB 1.783 20.808 19.000 0.042 0.000 1.230 18 A HN 0.368 nan 8.150 nan 0.000 0.448 19 V N 2.333 122.266 119.914 0.032 0.000 2.841 19 V HA 0.558 4.678 4.120 0.000 0.000 0.310 19 V C -0.657 175.449 176.094 0.020 0.000 1.090 19 V CA -0.475 61.841 62.300 0.027 0.000 0.930 19 V CB 2.150 33.996 31.823 0.038 0.000 1.014 19 V HN 0.786 nan 8.190 nan 0.000 0.425 20 V N 5.124 125.037 119.914 -0.002 0.000 2.555 20 V HA 0.732 4.853 4.120 0.000 0.000 0.302 20 V C -0.376 175.739 176.094 0.036 0.000 1.038 20 V CA -0.536 61.750 62.300 -0.023 0.000 0.887 20 V CB 1.600 33.319 31.823 -0.174 0.000 0.991 20 V HN 0.913 nan 8.190 nan 0.000 0.434 21 M N 2.879 122.564 119.600 0.141 0.000 2.470 21 M HA 0.492 4.972 4.480 0.000 0.000 0.285 21 M C -1.221 175.361 176.300 0.470 0.000 1.213 21 M CA -0.719 54.736 55.300 0.257 0.000 0.901 21 M CB 2.076 34.819 32.600 0.239 0.000 1.718 21 M HN 0.795 nan 8.290 nan 0.000 0.469 22 D N -0.786 119.903 120.400 0.482 0.000 2.358 22 D HA 0.088 4.728 4.640 0.000 0.000 0.244 22 D C 0.773 177.344 176.300 0.451 0.000 1.163 22 D CA -0.111 54.168 54.000 0.465 0.000 0.945 22 D CB 0.540 41.551 40.800 0.352 0.000 1.152 22 D HN 0.785 nan 8.370 nan 0.000 0.451 23 H N -0.549 118.680 119.070 0.265 0.000 2.492 23 H HA -0.150 4.407 4.556 0.000 0.000 0.296 23 H C 0.789 176.168 175.328 0.084 0.000 1.095 23 H CA 1.728 57.786 56.048 0.016 0.000 1.281 23 H CB 0.214 29.717 29.762 -0.432 0.000 1.374 23 H HN 0.450 nan 8.280 nan 0.000 0.545 24 D N -0.224 120.322 120.400 0.243 0.000 2.363 24 D HA 0.079 4.719 4.640 0.000 0.000 0.226 24 D C 0.171 176.638 176.300 0.278 0.000 1.020 24 D CA 0.846 54.982 54.000 0.227 0.000 0.892 24 D CB 0.021 40.923 40.800 0.171 0.000 0.900 24 D HN 0.562 nan 8.370 nan 0.000 0.531 25 A N 1.434 124.482 122.820 0.381 0.000 2.874 25 A HA -0.160 4.160 4.320 0.000 0.000 0.286 25 A C -0.565 177.156 177.584 0.229 0.000 1.410 25 A CA 0.092 52.341 52.037 0.352 0.000 0.730 25 A CB -1.900 17.238 19.000 0.231 0.000 1.077 25 A HN 0.290 nan 8.150 nan 0.000 0.439 26 N N -0.025 118.814 118.700 0.231 0.000 2.249 26 N HA 0.543 5.283 4.740 0.000 0.000 0.296 26 N C -0.461 175.143 175.510 0.155 0.000 1.051 26 N CA -0.716 52.434 53.050 0.168 0.000 0.815 26 N CB 1.244 39.819 38.487 0.147 0.000 1.487 26 N HN 0.327 nan 8.380 nan 0.000 0.475 27 I N 2.836 123.474 120.570 0.113 0.000 2.755 27 I HA -0.063 4.107 4.170 0.000 0.000 0.303 27 I C 1.718 177.870 176.117 0.059 0.000 1.168 27 I CA -0.015 61.335 61.300 0.083 0.000 1.588 27 I CB -0.559 37.478 38.000 0.063 0.000 1.509 27 I HN 0.472 nan 8.210 nan 0.000 0.734 28 I N 2.215 122.815 120.570 0.051 0.000 2.127 28 I HA -0.193 3.977 4.170 0.000 0.000 0.241 28 I C 1.292 177.389 176.117 -0.034 0.000 1.075 28 I CA 1.005 62.300 61.300 -0.009 0.000 1.334 28 I CB -0.756 37.164 38.000 -0.134 0.000 1.040 28 I HN 0.745 nan 8.210 nan 0.000 0.405 29 S N -1.834 113.843 115.700 -0.038 0.000 2.636 29 S HA 0.641 5.112 4.470 0.000 0.000 0.266 29 S C -1.553 173.038 174.600 -0.014 0.000 1.147 29 S CA -0.693 57.487 58.200 -0.032 0.000 0.815 29 S CB 0.986 64.150 63.200 -0.060 0.000 1.119 29 S HN -0.193 nan 8.310 nan 0.000 0.470 30 V N 1.770 121.679 119.914 -0.008 0.000 2.808 30 V HA 0.742 4.863 4.120 0.000 0.000 0.308 30 V C -0.395 175.703 176.094 0.008 0.000 1.099 30 V CA -0.451 61.853 62.300 0.007 0.000 0.920 30 V CB 1.998 33.831 31.823 0.016 0.000 1.014 30 V HN 0.884 nan 8.190 nan 0.000 0.425 31 S N 2.928 118.641 115.700 0.021 0.000 2.568 31 S HA 0.707 5.177 4.470 0.000 0.000 0.302 31 S C -0.982 173.650 174.600 0.053 0.000 1.082 31 S CA -0.564 57.654 58.200 0.031 0.000 1.009 31 S CB 1.799 65.019 63.200 0.034 0.000 1.069 31 S HN 0.711 nan 8.310 nan 0.000 0.500 32 Q N 2.295 122.135 119.800 0.065 0.000 3.068 32 Q HA 0.182 4.522 4.340 0.000 0.000 0.209 32 Q C -1.659 174.397 176.000 0.094 0.000 0.802 32 Q CA -0.222 55.626 55.803 0.075 0.000 0.848 32 Q CB 0.817 29.585 28.738 0.051 0.000 1.459 32 Q HN 0.634 nan 8.270 nan 0.000 0.455 33 R N 1.831 122.413 120.500 0.137 0.000 2.437 33 R HA 0.386 4.726 4.340 0.000 0.000 0.310 33 R C -0.328 176.044 176.300 0.119 0.000 0.955 33 R CA -0.767 55.428 56.100 0.158 0.000 0.851 33 R CB 1.894 32.373 30.300 0.298 0.000 1.161 33 R HN 0.386 nan 8.270 nan 0.000 0.446 34 E N 3.239 123.461 120.200 0.036 0.000 2.414 34 E HA 0.045 4.396 4.350 0.000 0.000 0.263 34 E C -0.587 175.988 176.600 -0.040 0.000 1.000 34 E CA 0.644 56.985 56.400 -0.098 0.000 0.914 34 E CB 0.456 30.102 29.700 -0.089 0.000 0.948 34 E HN 0.304 nan 8.360 nan 0.000 0.444 35 F N -0.502 119.416 119.950 -0.053 0.000 2.577 35 F HA 0.399 4.927 4.527 0.000 0.000 0.318 35 F C 0.024 175.737 175.800 -0.145 0.000 1.065 35 F CA -1.448 56.491 58.000 -0.102 0.000 0.929 35 F CB 0.682 39.599 39.000 -0.137 0.000 1.237 35 F HN 0.213 nan 8.300 nan 0.000 0.468 36 E N 1.818 122.084 120.200 0.110 0.000 2.417 36 E HA 0.015 4.366 4.350 0.000 0.000 0.261 36 E C -0.636 175.966 176.600 0.004 0.000 1.000 36 E CA -0.353 56.049 56.400 0.003 0.000 0.919 36 E CB 0.630 30.331 29.700 0.001 0.000 0.955 36 E HN 0.532 nan 8.360 nan 0.000 0.455 37 Q N 4.162 123.905 119.800 -0.094 0.000 2.452 37 Q HA 0.151 4.491 4.340 0.000 0.000 0.230 37 Q C -0.481 175.279 176.000 -0.401 0.000 1.180 37 Q CA -0.142 55.600 55.803 -0.100 0.000 0.914 37 Q CB -0.204 28.443 28.738 -0.153 0.000 1.408 37 Q HN 0.425 nan 8.270 nan 0.000 0.520 38 I N 2.930 123.464 120.570 -0.060 0.000 2.505 38 I HA -0.084 4.087 4.170 0.000 0.000 0.287 38 I C -0.209 175.934 176.117 0.043 0.000 1.104 38 I CA 0.039 61.280 61.300 -0.098 0.000 1.387 38 I CB -0.029 37.993 38.000 0.036 0.000 1.404 38 I HN 0.237 nan 8.210 nan 0.000 0.528 39 Y N 8.218 128.567 120.300 0.080 0.000 2.958 39 Y HA 0.316 4.866 4.550 0.001 0.000 0.336 39 Y C -1.330 174.607 175.900 0.062 0.000 1.160 39 Y CA -3.260 54.884 58.100 0.072 0.000 1.292 39 Y CB -0.778 37.715 38.460 0.054 0.000 1.306 39 Y HN 0.546 nan 8.280 nan 0.000 0.547 40 P HA -0.192 nan 4.420 nan 0.000 0.216 40 P C 0.112 177.424 177.300 0.020 0.000 1.154 40 P CA 1.608 64.796 63.100 0.147 0.000 0.865 40 P CB 0.719 32.572 31.700 0.254 0.000 0.789 41 K N -2.836 117.544 120.400 -0.033 0.000 2.597 41 K HA 0.344 4.664 4.320 0.000 0.000 0.282 41 K C -3.423 173.070 176.600 -0.177 0.000 0.975 41 K CA -2.105 54.040 56.287 -0.237 0.000 0.867 41 K CB 1.186 33.352 32.500 -0.556 0.000 1.465 41 K HN -0.340 nan 8.250 nan 0.000 0.417 42 P HA 0.012 nan 4.420 nan 0.000 0.256 42 P C 0.583 177.888 177.300 0.010 0.000 1.173 42 P CA 1.760 64.813 63.100 -0.079 0.000 0.768 42 P CB 0.029 31.685 31.700 -0.072 0.000 0.758 43 G N 1.210 110.052 108.800 0.070 0.000 2.194 43 G HA2 -0.181 3.779 3.960 0.000 0.000 0.236 43 G HA3 -0.181 3.779 3.960 0.000 0.000 0.236 43 G C -0.636 174.469 174.900 0.341 0.000 0.987 43 G CA -0.681 44.526 45.100 0.177 0.000 0.635 43 G HN 0.335 nan 8.290 nan 0.000 0.520 44 W N 0.060 121.288 121.300 -0.121 0.000 2.551 44 W HA 0.741 5.402 4.660 0.000 0.000 0.330 44 W C -0.060 176.432 176.519 -0.045 0.000 1.063 44 W CA -1.299 55.978 57.345 -0.114 0.000 1.222 44 W CB 1.830 31.238 29.460 -0.086 0.000 1.349 44 W HN 0.387 nan 8.180 nan 0.000 0.536 45 V N 2.236 122.209 119.914 0.097 0.000 2.653 45 V HA 0.417 4.537 4.120 0.000 0.000 0.298 45 V C -0.592 175.448 176.094 -0.090 0.000 1.097 45 V CA -1.212 61.136 62.300 0.079 0.000 0.908 45 V CB 1.167 32.968 31.823 -0.037 0.000 1.024 45 V HN 0.546 nan 8.190 nan 0.000 0.435 46 E N 2.686 122.887 120.200 0.002 0.000 2.431 46 E HA 0.803 5.153 4.350 0.000 0.000 0.268 46 E C -1.396 175.279 176.600 0.124 0.000 0.953 46 E CA -1.006 55.348 56.400 -0.076 0.000 0.810 46 E CB 1.927 31.633 29.700 0.009 0.000 1.369 46 E HN 0.732 nan 8.360 nan 0.000 0.440 47 H N -0.451 118.605 119.070 -0.024 0.000 2.949 47 H HA 0.336 4.892 4.556 0.000 0.000 0.356 47 H C -1.294 173.970 175.328 -0.105 0.000 1.212 47 H CA -1.057 54.966 56.048 -0.042 0.000 1.136 47 H CB 1.495 31.212 29.762 -0.074 0.000 1.869 47 H HN 0.371 nan 8.280 nan 0.000 0.556 48 D N 2.170 122.564 120.400 -0.010 0.000 2.412 48 D HA 0.172 4.812 4.640 0.000 0.000 0.224 48 D C -1.752 174.477 176.300 -0.118 0.000 1.093 48 D CA -2.042 51.917 54.000 -0.069 0.000 0.850 48 D CB 1.518 42.292 40.800 -0.043 0.000 1.046 48 D HN 0.111 nan 8.370 nan 0.000 0.507 49 P HA -0.225 nan 4.420 nan 0.000 0.218 49 P C 1.698 179.086 177.300 0.145 0.000 1.152 49 P CA 1.374 64.301 63.100 -0.289 0.000 0.857 49 P CB 0.184 31.431 31.700 -0.756 0.000 0.787 50 M N -0.595 119.085 119.600 0.132 0.000 2.074 50 M HA -0.135 4.345 4.480 0.000 0.000 0.259 50 M C 2.269 178.648 176.300 0.133 0.000 1.079 50 M CA 1.712 57.163 55.300 0.253 0.000 1.119 50 M CB -2.033 30.660 32.600 0.156 0.000 1.297 50 M HN 0.024 nan 8.290 nan 0.000 0.416 51 E N 0.333 120.528 120.200 -0.009 0.000 2.233 51 E HA -0.227 4.123 4.350 0.000 0.000 0.199 51 E C 1.723 178.205 176.600 -0.196 0.000 1.004 51 E CA 1.164 57.505 56.400 -0.100 0.000 0.819 51 E CB 0.035 29.695 29.700 -0.066 0.000 0.738 51 E HN 0.267 nan 8.360 nan 0.000 0.478 52 I N 0.487 120.923 120.570 -0.222 0.000 2.086 52 I HA -0.238 3.932 4.170 0.000 0.000 0.233 52 I C 2.102 178.235 176.117 0.027 0.000 1.060 52 I CA 1.582 62.703 61.300 -0.298 0.000 1.326 52 I CB -1.309 36.560 38.000 -0.217 0.000 1.067 52 I HN 0.401 nan 8.210 nan 0.000 0.398 53 W N 1.621 122.926 121.300 0.009 0.000 2.308 53 W HA -0.483 4.177 4.660 0.000 0.000 0.343 53 W C 2.512 178.905 176.519 -0.210 0.000 1.408 53 W CA 2.430 59.746 57.345 -0.049 0.000 1.237 53 W CB -0.635 28.824 29.460 -0.002 0.000 1.057 53 W HN 0.297 nan 8.180 nan 0.000 0.487 54 A N 0.777 123.354 122.820 -0.406 0.000 1.877 54 A HA -0.435 3.885 4.320 0.000 0.000 0.218 54 A C 1.922 178.867 177.584 -1.064 0.000 1.301 54 A CA 4.190 55.680 52.037 -0.911 0.000 0.699 54 A CB -1.989 16.657 19.000 -0.591 0.000 0.844 54 A HN 0.719 nan 8.150 nan 0.000 0.464 55 T N -2.819 111.272 114.554 -0.771 0.000 2.751 55 T HA -0.306 4.044 4.350 0.000 0.000 0.268 55 T C 1.774 176.316 174.700 -0.264 0.000 1.045 55 T CA 2.138 63.934 62.100 -0.507 0.000 1.142 55 T CB -0.380 68.455 68.868 -0.055 0.000 0.851 55 T HN 0.487 nan 8.240 nan 0.000 0.474 56 Q N 0.589 120.243 119.800 -0.243 0.000 2.331 56 Q HA 0.215 4.555 4.340 0.000 0.000 0.203 56 Q C 2.443 178.306 176.000 -0.229 0.000 0.944 56 Q CA 0.983 56.723 55.803 -0.106 0.000 0.892 56 Q CB -0.561 28.201 28.738 0.040 0.000 0.983 56 Q HN 0.567 nan 8.270 nan 0.000 0.482 57 S N -0.312 115.034 115.700 -0.591 0.000 2.368 57 S HA -0.085 4.385 4.470 0.000 0.000 0.224 57 S C 0.781 175.265 174.600 -0.193 0.000 1.029 57 S CA 0.832 58.616 58.200 -0.693 0.000 0.988 57 S CB -0.213 62.223 63.200 -1.272 0.000 0.838 57 S HN 0.474 nan 8.310 nan 0.000 0.462 58 W N 1.989 123.138 121.300 -0.251 0.000 1.854 58 W HA -0.134 4.526 4.660 0.000 0.000 0.292 58 W C 2.707 179.166 176.519 -0.100 0.000 0.987 58 W CA 1.641 58.896 57.345 -0.150 0.000 1.018 58 W CB -1.992 27.403 29.460 -0.109 0.000 1.128 58 W HN 0.426 nan 8.180 nan 0.000 0.492 59 T N 0.921 115.649 114.554 0.290 0.000 2.276 59 T HA -0.480 3.870 4.350 0.000 0.000 0.194 59 T C 1.777 176.522 174.700 0.075 0.000 1.588 59 T CA 3.087 65.270 62.100 0.138 0.000 0.984 59 T CB -1.568 67.371 68.868 0.118 0.000 0.784 59 T HN 0.305 nan 8.240 nan 0.000 0.455 60 L N 1.774 123.031 121.223 0.055 0.000 2.056 60 L HA -0.244 4.097 4.340 0.000 0.000 0.237 60 L C 2.614 179.494 176.870 0.017 0.000 1.106 60 L CA 2.938 57.794 54.840 0.028 0.000 0.829 60 L CB -1.212 40.858 42.059 0.017 0.000 0.924 60 L HN 0.383 nan 8.230 nan 0.000 0.447 61 V N 0.511 120.441 119.914 0.026 0.000 2.230 61 V HA -0.453 3.667 4.120 0.000 0.000 0.256 61 V C 2.663 178.741 176.094 -0.026 0.000 1.064 61 V CA 2.860 65.162 62.300 0.004 0.000 1.050 61 V CB -0.984 30.852 31.823 0.020 0.000 0.666 61 V HN 0.796 nan 8.190 nan 0.000 0.457 62 E N 0.102 120.282 120.200 -0.034 0.000 2.047 62 E HA -0.168 4.182 4.350 0.000 0.000 0.191 62 E C 2.014 178.591 176.600 -0.037 0.000 0.987 62 E CA 1.600 57.968 56.400 -0.054 0.000 0.799 62 E CB -0.637 29.021 29.700 -0.070 0.000 0.752 62 E HN 0.570 nan 8.360 nan 0.000 0.449 63 V N 1.957 121.860 119.914 -0.020 0.000 2.278 63 V HA -0.353 3.767 4.120 0.000 0.000 0.251 63 V C 2.287 178.349 176.094 -0.054 0.000 1.062 63 V CA 1.939 64.220 62.300 -0.033 0.000 1.038 63 V CB -1.462 30.346 31.823 -0.024 0.000 0.646 63 V HN 0.140 nan 8.190 nan 0.000 0.447 64 L N 1.432 122.628 121.223 -0.045 0.000 1.924 64 L HA -0.089 4.251 4.340 0.000 0.000 0.234 64 L C 2.822 179.659 176.870 -0.054 0.000 1.090 64 L CA 2.195 57.003 54.840 -0.053 0.000 0.816 64 L CB -1.866 40.175 42.059 -0.030 0.000 0.901 64 L HN 0.258 nan 8.230 nan 0.000 0.433 65 A N 1.014 123.808 122.820 -0.043 0.000 1.913 65 A HA -0.399 3.922 4.320 0.000 0.000 0.236 65 A C 2.198 179.754 177.584 -0.047 0.000 1.760 65 A CA 3.543 55.553 52.037 -0.044 0.000 0.740 65 A CB -1.388 17.581 19.000 -0.052 0.000 0.847 65 A HN 0.713 nan 8.150 nan 0.000 0.508 66 K N -0.846 119.523 120.400 -0.052 0.000 2.585 66 K HA 0.256 4.576 4.320 0.000 0.000 0.194 66 K C 0.908 177.478 176.600 -0.050 0.000 1.037 66 K CA 1.229 57.486 56.287 -0.049 0.000 0.964 66 K CB -0.252 32.219 32.500 -0.048 0.000 0.787 66 K HN 0.595 nan 8.250 nan 0.000 0.488 67 A N 1.088 123.873 122.820 -0.060 0.000 2.671 67 A HA 0.140 4.460 4.320 0.000 0.000 0.265 67 A C -0.387 177.161 177.584 -0.060 0.000 1.148 67 A CA -0.144 51.851 52.037 -0.070 0.000 0.977 67 A CB 0.434 19.368 19.000 -0.110 0.000 1.242 67 A HN 0.328 nan 8.150 nan 0.000 0.591 68 D N -0.497 119.877 120.400 -0.044 0.000 3.039 68 D HA -0.183 4.458 4.640 0.000 0.000 0.222 68 D C 0.038 176.332 176.300 -0.010 0.000 1.179 68 D CA 1.159 55.145 54.000 -0.023 0.000 0.880 68 D CB -1.322 39.473 40.800 -0.009 0.000 1.115 68 D HN 0.509 nan 8.370 nan 0.000 0.416 69 I N 0.586 121.134 120.570 -0.037 0.000 3.004 69 I HA 0.081 4.252 4.170 0.000 0.000 0.287 69 I C 1.144 177.274 176.117 0.023 0.000 1.144 69 I CA 0.246 61.545 61.300 -0.002 0.000 1.353 69 I CB 0.814 38.754 38.000 -0.101 0.000 1.417 69 I HN -0.024 nan 8.210 nan 0.000 0.602 70 S N 0.885 116.624 115.700 0.065 0.000 2.536 70 S HA 0.334 4.804 4.470 0.000 0.000 0.287 70 S C 0.759 175.396 174.600 0.060 0.000 1.101 70 S CA -0.261 57.968 58.200 0.048 0.000 0.950 70 S CB 1.538 64.762 63.200 0.040 0.000 1.056 70 S HN 0.673 nan 8.310 nan 0.000 0.481 71 S N 1.549 117.273 115.700 0.041 0.000 2.434 71 S HA -0.353 4.118 4.470 0.000 0.000 0.250 71 S C 1.110 175.740 174.600 0.049 0.000 1.102 71 S CA 2.273 60.497 58.200 0.040 0.000 1.104 71 S CB -1.377 61.839 63.200 0.028 0.000 0.957 71 S HN 0.986 nan 8.310 nan 0.000 0.456 72 D N 1.430 121.859 120.400 0.047 0.000 2.378 72 D HA -0.066 4.575 4.640 0.000 0.000 0.227 72 D C 1.573 177.906 176.300 0.054 0.000 1.012 72 D CA 0.620 54.646 54.000 0.043 0.000 0.905 72 D CB -0.419 40.401 40.800 0.033 0.000 0.895 72 D HN 0.752 nan 8.370 nan 0.000 0.532 73 Q N -0.298 119.555 119.800 0.089 0.000 2.280 73 Q HA 0.203 4.543 4.340 0.000 0.000 0.244 73 Q C 0.455 176.524 176.000 0.116 0.000 0.847 73 Q CA -0.295 55.569 55.803 0.103 0.000 0.945 73 Q CB 0.627 29.475 28.738 0.184 0.000 1.115 73 Q HN 0.463 nan 8.270 nan 0.000 0.513 74 I N -1.647 119.005 120.570 0.136 0.000 2.437 74 I HA 0.613 4.784 4.170 0.000 0.000 0.298 74 I C 0.782 176.912 176.117 0.021 0.000 0.984 74 I CA -0.493 60.869 61.300 0.103 0.000 1.214 74 I CB 1.502 39.583 38.000 0.136 0.000 1.365 74 I HN -0.075 nan 8.210 nan 0.000 0.469 75 A N 4.806 127.589 122.820 -0.061 0.000 1.826 75 A HA 0.654 4.974 4.320 0.000 0.000 0.214 75 A C 1.298 178.868 177.584 -0.024 0.000 1.212 75 A CA 1.554 53.559 52.037 -0.054 0.000 0.605 75 A CB -0.886 18.014 19.000 -0.167 0.000 0.861 75 A HN 1.238 nan 8.150 nan 0.000 0.447 76 A N -2.240 120.553 122.820 -0.044 0.000 2.733 76 A HA 0.727 5.047 4.320 0.000 0.000 0.299 76 A C -1.581 176.012 177.584 0.015 0.000 1.252 76 A CA -0.454 51.585 52.037 0.003 0.000 0.677 76 A CB 0.346 19.357 19.000 0.019 0.000 1.361 76 A HN 0.371 nan 8.150 nan 0.000 0.528 77 I N 0.377 120.973 120.570 0.043 0.000 2.478 77 I HA 0.532 4.703 4.170 0.000 0.000 0.287 77 I C 0.553 176.719 176.117 0.080 0.000 1.042 77 I CA -0.112 61.222 61.300 0.057 0.000 1.067 77 I CB 2.050 40.087 38.000 0.061 0.000 1.233 77 I HN 0.806 nan 8.210 nan 0.000 0.431 78 G N 6.925 115.770 108.800 0.075 0.000 2.476 78 G HA2 0.711 4.671 3.960 0.000 0.000 0.286 78 G HA3 0.711 4.671 3.960 0.000 0.000 0.286 78 G C -0.544 174.396 174.900 0.068 0.000 1.177 78 G CA -0.312 44.836 45.100 0.081 0.000 0.870 78 G HN 0.443 nan 8.290 nan 0.000 0.528 79 I N 1.252 121.855 120.570 0.056 0.000 2.500 79 I HA 0.332 4.502 4.170 0.000 0.000 0.286 79 I C -0.454 175.670 176.117 0.013 0.000 1.063 79 I CA -0.598 60.725 61.300 0.037 0.000 1.062 79 I CB 1.523 39.540 38.000 0.029 0.000 1.223 79 I HN 0.507 nan 8.210 nan 0.000 0.435 80 T N 3.121 117.688 114.554 0.021 0.000 2.893 80 T HA 0.711 5.061 4.350 0.000 0.000 0.291 80 T C -0.507 174.208 174.700 0.026 0.000 1.028 80 T CA -0.980 61.124 62.100 0.005 0.000 0.995 80 T CB 2.582 71.448 68.868 -0.003 0.000 1.051 80 T HN 0.810 nan 8.240 nan 0.000 0.470 81 N N 0.146 118.850 118.700 0.007 0.000 2.732 81 N HA 0.435 5.176 4.740 0.000 0.000 0.259 81 N C -1.157 174.356 175.510 0.005 0.000 1.402 81 N CA -1.443 51.630 53.050 0.037 0.000 0.829 81 N CB 1.271 39.787 38.487 0.048 0.000 1.495 81 N HN 0.764 nan 8.380 nan 0.000 0.511 82 Q N -0.207 119.635 119.800 0.070 0.000 2.364 82 Q HA 0.273 4.613 4.340 0.000 0.000 0.267 82 Q C -0.067 175.926 176.000 -0.012 0.000 0.999 82 Q CA -0.249 55.587 55.803 0.055 0.000 0.886 82 Q CB 1.331 30.245 28.738 0.294 0.000 1.243 82 Q HN 0.578 nan 8.270 nan 0.000 0.415 83 R N 1.086 121.457 120.500 -0.216 0.000 2.334 83 R HA 0.042 4.382 4.340 0.000 0.000 0.216 83 R C 0.415 176.689 176.300 -0.042 0.000 0.905 83 R CA 0.321 56.323 56.100 -0.164 0.000 1.064 83 R CB 0.516 30.654 30.300 -0.269 0.000 1.046 83 R HN 0.669 nan 8.270 nan 0.000 0.508 84 E N -0.589 119.703 120.200 0.154 0.000 2.453 84 E HA 0.077 4.427 4.350 0.000 0.000 0.211 84 E C -0.287 176.429 176.600 0.193 0.000 0.897 84 E CA 0.238 56.732 56.400 0.157 0.000 1.063 84 E CB 0.633 30.422 29.700 0.149 0.000 1.080 84 E HN -0.002 nan 8.360 nan 0.000 0.512 85 T N 1.861 116.573 114.554 0.265 0.000 2.723 85 T HA -0.016 4.335 4.350 0.000 0.000 0.260 85 T C 0.143 174.898 174.700 0.091 0.000 1.019 85 T CA 0.669 62.858 62.100 0.147 0.000 1.155 85 T CB 0.158 69.143 68.868 0.196 0.000 1.024 85 T HN -0.045 nan 8.240 nan 0.000 0.491 86 T N 4.058 118.652 114.554 0.066 0.000 2.855 86 T HA 0.672 5.022 4.350 0.000 0.000 0.281 86 T C -0.042 174.688 174.700 0.049 0.000 1.007 86 T CA -0.668 61.505 62.100 0.123 0.000 1.009 86 T CB 0.720 69.715 68.868 0.213 0.000 0.983 86 T HN 0.461 nan 8.240 nan 0.000 0.455 87 I N 1.183 121.784 120.570 0.053 0.000 2.865 87 I HA 0.784 4.955 4.170 0.000 0.000 0.302 87 I C -0.888 175.359 176.117 0.216 0.000 1.140 87 I CA -1.119 60.183 61.300 0.004 0.000 1.021 87 I CB 2.208 40.029 38.000 -0.300 0.000 1.233 87 I HN 0.327 nan 8.210 nan 0.000 0.427 88 V N 3.278 123.326 119.914 0.224 0.000 2.789 88 V HA 0.568 4.688 4.120 0.000 0.000 0.300 88 V C -1.753 174.487 176.094 0.242 0.000 1.184 88 V CA -0.369 62.068 62.300 0.229 0.000 0.930 88 V CB 1.948 33.852 31.823 0.135 0.000 1.041 88 V HN 0.934 nan 8.190 nan 0.000 0.430 89 W N 2.368 123.575 121.300 -0.156 0.000 3.083 89 W HA 0.794 5.454 4.660 0.000 0.000 0.333 89 W C -0.583 175.843 176.519 -0.154 0.000 1.217 89 W CA -0.968 56.280 57.345 -0.163 0.000 1.170 89 W CB 1.035 30.374 29.460 -0.202 0.000 1.437 89 W HN 0.476 nan 8.180 nan 0.000 0.557 90 E N 2.922 123.169 120.200 0.078 0.000 2.493 90 E HA -0.093 4.257 4.350 0.000 0.000 0.255 90 E C 1.103 177.764 176.600 0.101 0.000 0.999 90 E CA 0.257 56.673 56.400 0.028 0.000 0.934 90 E CB 1.200 30.962 29.700 0.104 0.000 0.940 90 E HN 0.522 nan 8.360 nan 0.000 0.473 91 K N 3.745 124.123 120.400 -0.036 0.000 2.065 91 K HA -0.130 4.190 4.320 0.000 0.000 0.211 91 K C 1.340 178.139 176.600 0.330 0.000 1.025 91 K CA 0.688 57.084 56.287 0.181 0.000 0.948 91 K CB -0.070 32.486 32.500 0.094 0.000 0.798 91 K HN 0.387 nan 8.250 nan 0.000 0.450 92 E N 0.281 120.604 120.200 0.205 0.000 2.340 92 E HA -0.335 4.015 4.350 0.000 0.000 0.246 92 E C 1.877 178.611 176.600 0.223 0.000 1.077 92 E CA 3.451 59.962 56.400 0.185 0.000 1.060 92 E CB -0.788 28.978 29.700 0.111 0.000 0.935 92 E HN 0.682 nan 8.360 nan 0.000 0.495 93 T N -2.789 111.880 114.554 0.193 0.000 2.759 93 T HA -0.096 4.254 4.350 0.000 0.000 0.269 93 T C 1.597 176.459 174.700 0.271 0.000 1.042 93 T CA 2.192 64.405 62.100 0.189 0.000 1.140 93 T CB -0.493 68.461 68.868 0.144 0.000 0.864 93 T HN 0.723 nan 8.240 nan 0.000 0.455 94 G N 1.356 110.392 108.800 0.392 0.000 2.136 94 G HA2 -0.249 3.711 3.960 0.000 0.000 0.242 94 G HA3 -0.249 3.711 3.960 0.000 0.000 0.242 94 G C -0.122 174.956 174.900 0.297 0.000 0.989 94 G CA 0.505 45.906 45.100 0.503 0.000 0.682 94 G HN 1.012 nan 8.290 nan 0.000 0.522 95 K N 0.480 121.055 120.400 0.291 0.000 2.259 95 K HA 0.732 5.053 4.320 0.000 0.000 0.252 95 K C -2.782 173.956 176.600 0.229 0.000 0.936 95 K CA -2.382 54.038 56.287 0.221 0.000 0.810 95 K CB 2.914 35.508 32.500 0.157 0.000 1.143 95 K HN -0.007 nan 8.250 nan 0.000 0.427 96 P HA 0.094 nan 4.420 nan 0.000 0.275 96 P C 0.045 177.392 177.300 0.078 0.000 1.227 96 P CA -0.312 62.823 63.100 0.058 0.000 0.781 96 P CB 0.384 31.999 31.700 -0.142 0.000 0.906 97 I N -0.922 119.713 120.570 0.109 0.000 3.976 97 I HA 0.466 4.636 4.170 0.000 0.000 0.337 97 I C -0.317 175.924 176.117 0.206 0.000 1.359 97 I CA -0.266 61.109 61.300 0.126 0.000 1.098 97 I CB -0.285 37.783 38.000 0.113 0.000 1.027 97 I HN 0.105 nan 8.210 nan 0.000 0.394 98 Y N 1.163 121.478 120.300 0.026 0.000 2.452 98 Y HA 0.284 4.834 4.550 0.000 0.000 0.323 98 Y C -0.626 175.254 175.900 -0.033 0.000 1.244 98 Y CA -1.258 56.861 58.100 0.031 0.000 1.158 98 Y CB 0.927 39.443 38.460 0.092 0.000 1.332 98 Y HN 0.055 nan 8.280 nan 0.000 0.456 99 N N 2.339 120.924 118.700 -0.191 0.000 2.239 99 N HA 0.182 4.922 4.740 0.000 0.000 0.225 99 N C -0.207 175.339 175.510 0.060 0.000 1.283 99 N CA 0.882 53.882 53.050 -0.084 0.000 0.868 99 N CB 0.534 38.944 38.487 -0.129 0.000 1.098 99 N HN 0.706 nan 8.380 nan 0.000 0.436 100 A N 1.139 123.932 122.820 -0.045 0.000 2.409 100 A HA 0.349 4.669 4.320 0.000 0.000 0.262 100 A C 0.487 178.012 177.584 -0.098 0.000 1.113 100 A CA -0.340 51.654 52.037 -0.072 0.000 0.790 100 A CB -0.129 18.805 19.000 -0.110 0.000 1.046 100 A HN 0.563 nan 8.150 nan 0.000 0.496 101 I N 3.423 123.927 120.570 -0.110 0.000 2.331 101 I HA 0.237 4.407 4.170 0.000 0.000 0.292 101 I C -0.291 175.698 176.117 -0.212 0.000 0.998 101 I CA -0.695 60.479 61.300 -0.210 0.000 1.267 101 I CB 1.458 39.279 38.000 -0.299 0.000 1.386 101 I HN 0.307 nan 8.210 nan 0.000 0.476 102 V N 6.049 125.765 119.914 -0.331 0.000 2.607 102 V HA 0.031 4.151 4.120 0.000 0.000 0.289 102 V C 1.194 177.071 176.094 -0.362 0.000 1.053 102 V CA -0.588 61.477 62.300 -0.390 0.000 0.996 102 V CB 1.032 32.457 31.823 -0.664 0.000 0.995 102 V HN 0.950 nan 8.190 nan 0.000 0.476 103 W N 2.727 123.968 121.300 -0.098 0.000 2.296 103 W HA -0.338 4.323 4.660 0.000 0.000 0.296 103 W C 1.583 177.978 176.519 -0.207 0.000 1.220 103 W CA 1.676 59.001 57.345 -0.034 0.000 1.223 103 W CB -0.698 28.855 29.460 0.155 0.000 1.139 103 W HN 0.747 nan 8.180 nan 0.000 0.534 104 Q N 1.028 120.198 119.800 -1.051 0.000 2.230 104 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 104 Q C 1.162 176.771 176.000 -0.651 0.000 0.963 104 Q CA 0.965 56.069 55.803 -1.165 0.000 0.866 104 Q CB -0.101 27.603 28.738 -1.724 0.000 0.931 104 Q HN 0.216 nan 8.270 nan 0.000 0.452 105 C N 2.661 121.653 119.300 -0.514 0.000 2.651 105 C HA 0.140 4.600 4.460 0.000 0.000 0.410 105 C C 1.116 175.877 174.990 -0.381 0.000 1.372 105 C CA -0.513 58.260 59.018 -0.410 0.000 1.707 105 C CB -0.262 27.202 27.740 -0.460 0.000 2.501 105 C HN 0.438 nan 8.230 nan 0.000 0.598 106 R N 5.174 125.488 120.500 -0.310 0.000 2.363 106 R HA 0.016 4.356 4.340 0.000 0.000 0.236 106 R C 2.057 178.158 176.300 -0.331 0.000 0.966 106 R CA -0.076 55.879 56.100 -0.241 0.000 1.100 106 R CB -0.631 29.602 30.300 -0.111 0.000 1.125 106 R HN 0.825 nan 8.270 nan 0.000 0.514 107 R N 1.505 121.546 120.500 -0.765 0.000 2.189 107 R HA -0.066 4.274 4.340 0.000 0.000 0.223 107 R C 0.404 176.441 176.300 -0.439 0.000 1.092 107 R CA 1.698 57.198 56.100 -0.999 0.000 0.989 107 R CB -0.232 28.581 30.300 -2.479 0.000 0.876 107 R HN 0.040 nan 8.270 nan 0.000 0.457 108 T N -2.519 111.835 114.554 -0.333 0.000 3.284 108 T HA 0.517 4.867 4.350 0.000 0.000 0.249 108 T C 1.206 175.889 174.700 -0.028 0.000 0.944 108 T CA 0.026 62.072 62.100 -0.091 0.000 0.919 108 T CB 1.021 69.848 68.868 -0.068 0.000 1.089 108 T HN 0.269 nan 8.240 nan 0.000 0.576 109 A N 1.840 124.648 122.820 -0.020 0.000 1.855 109 A HA 0.018 4.338 4.320 0.000 0.000 0.213 109 A C 2.307 179.930 177.584 0.065 0.000 1.195 109 A CA 0.724 52.761 52.037 0.000 0.000 0.610 109 A CB -0.440 18.522 19.000 -0.064 0.000 0.837 109 A HN 0.541 nan 8.150 nan 0.000 0.444 110 E N -0.068 120.182 120.200 0.083 0.000 2.103 110 E HA -0.302 4.048 4.350 0.000 0.000 0.229 110 E C 1.899 178.374 176.600 -0.208 0.000 1.061 110 E CA 2.029 58.420 56.400 -0.014 0.000 0.916 110 E CB -0.650 29.017 29.700 -0.055 0.000 0.806 110 E HN 0.645 nan 8.360 nan 0.000 0.489 111 I N 0.741 121.178 120.570 -0.221 0.000 2.103 111 I HA -0.447 3.723 4.170 0.000 0.000 0.241 111 I C 2.866 178.972 176.117 -0.018 0.000 1.036 111 I CA 1.567 62.759 61.300 -0.181 0.000 1.300 111 I CB -0.517 37.463 38.000 -0.034 0.000 1.010 111 I HN 0.301 nan 8.210 nan 0.000 0.406 112 C N 0.351 119.672 119.300 0.034 0.000 2.385 112 C HA -0.198 4.262 4.460 0.000 0.000 0.275 112 C C 2.763 177.833 174.990 0.134 0.000 1.207 112 C CA 0.976 60.048 59.018 0.090 0.000 1.760 112 C CB -1.125 26.669 27.740 0.090 0.000 2.051 112 C HN 0.503 nan 8.230 nan 0.000 0.467 113 E N -0.149 120.143 120.200 0.154 0.000 2.118 113 E HA -0.160 4.190 4.350 0.000 0.000 0.195 113 E C 1.676 178.472 176.600 0.326 0.000 0.992 113 E CA 1.245 57.788 56.400 0.238 0.000 0.804 113 E CB -0.616 29.250 29.700 0.278 0.000 0.741 113 E HN 0.772 nan 8.360 nan 0.000 0.458 114 H N 0.143 119.265 119.070 0.086 0.000 2.274 114 H HA -0.159 4.397 4.556 0.000 0.000 0.296 114 H C 2.324 177.682 175.328 0.051 0.000 1.061 114 H CA 1.151 57.235 56.048 0.061 0.000 1.226 114 H CB -0.212 29.580 29.762 0.051 0.000 1.370 114 H HN 0.030 nan 8.280 nan 0.000 0.507 115 L N 1.306 122.662 121.223 0.222 0.000 2.113 115 L HA -0.311 4.029 4.340 0.000 0.000 0.221 115 L C 2.438 179.369 176.870 0.102 0.000 1.084 115 L CA 1.690 56.605 54.840 0.125 0.000 0.787 115 L CB -0.602 41.521 42.059 0.107 0.000 0.893 115 L HN 0.232 nan 8.230 nan 0.000 0.440 116 K N -0.174 120.299 120.400 0.120 0.000 2.020 116 K HA -0.170 4.150 4.320 0.000 0.000 0.212 116 K C 2.121 178.767 176.600 0.076 0.000 1.050 116 K CA 1.750 58.097 56.287 0.099 0.000 0.929 116 K CB -0.369 32.202 32.500 0.119 0.000 0.714 116 K HN 0.312 nan 8.250 nan 0.000 0.443 117 R N 1.100 121.644 120.500 0.074 0.000 2.323 117 R HA -0.021 4.319 4.340 0.000 0.000 0.198 117 R C 0.471 176.777 176.300 0.010 0.000 0.988 117 R CA 0.635 56.755 56.100 0.035 0.000 1.041 117 R CB 0.057 30.364 30.300 0.011 0.000 0.926 117 R HN 0.195 nan 8.270 nan 0.000 0.476 118 D N -0.074 120.336 120.400 0.016 0.000 2.358 118 D HA 0.132 4.772 4.640 0.000 0.000 0.224 118 D C 0.728 177.030 176.300 0.004 0.000 1.123 118 D CA 0.210 54.210 54.000 0.000 0.000 0.833 118 D CB 0.198 40.998 40.800 -0.000 0.000 0.946 118 D HN 0.213 nan 8.370 nan 0.000 0.505 119 G N 1.392 110.201 108.800 0.016 0.000 2.422 119 G HA2 -0.296 3.665 3.960 0.000 0.000 0.301 119 G HA3 -0.296 3.665 3.960 0.000 0.000 0.301 119 G C 0.475 175.390 174.900 0.026 0.000 0.981 119 G CA 0.211 45.323 45.100 0.020 0.000 0.994 119 G HN 0.371 nan 8.290 nan 0.000 0.514 120 L N -0.678 120.568 121.223 0.038 0.000 2.728 120 L HA 0.363 4.704 4.340 0.000 0.000 0.235 120 L C 1.839 178.760 176.870 0.085 0.000 1.197 120 L CA 0.518 55.395 54.840 0.062 0.000 0.992 120 L CB -0.091 42.008 42.059 0.066 0.000 1.263 120 L HN 0.410 nan 8.230 nan 0.000 0.484 121 E N 0.840 121.072 120.200 0.055 0.000 2.002 121 E HA -0.252 4.098 4.350 0.000 0.000 0.205 121 E C 1.369 177.990 176.600 0.036 0.000 1.020 121 E CA 1.876 58.296 56.400 0.033 0.000 0.856 121 E CB 0.072 29.782 29.700 0.016 0.000 0.788 121 E HN 0.475 nan 8.360 nan 0.000 0.477 122 D N -0.589 119.831 120.400 0.034 0.000 2.242 122 D HA -0.259 4.381 4.640 0.000 0.000 0.190 122 D C 1.849 178.170 176.300 0.034 0.000 1.012 122 D CA 1.649 55.663 54.000 0.023 0.000 0.875 122 D CB -0.419 40.399 40.800 0.030 0.000 0.922 122 D HN 0.293 nan 8.370 nan 0.000 0.448 123 Y N 1.556 121.831 120.300 -0.041 0.000 2.165 123 Y HA -0.211 4.339 4.550 0.000 0.000 0.286 123 Y C 2.307 178.177 175.900 -0.050 0.000 1.155 123 Y CA 1.294 59.366 58.100 -0.047 0.000 1.164 123 Y CB -0.271 38.165 38.460 -0.040 0.000 0.978 123 Y HN -0.042 nan 8.280 nan 0.000 0.513 124 I N -0.019 120.532 120.570 -0.031 0.000 2.110 124 I HA -0.299 3.871 4.170 0.000 0.000 0.236 124 I C 2.527 178.543 176.117 -0.168 0.000 1.068 124 I CA 1.685 62.926 61.300 -0.098 0.000 1.333 124 I CB -0.858 37.134 38.000 -0.014 0.000 1.054 124 I HN 0.131 nan 8.210 nan 0.000 0.402 125 R N 0.598 121.027 120.500 -0.119 0.000 2.261 125 R HA -0.139 4.201 4.340 0.000 0.000 0.236 125 R C 1.746 177.974 176.300 -0.120 0.000 1.141 125 R CA 1.445 57.472 56.100 -0.122 0.000 1.001 125 R CB 0.089 30.338 30.300 -0.085 0.000 0.866 125 R HN 0.286 nan 8.270 nan 0.000 0.468 126 S N -1.372 114.232 115.700 -0.161 0.000 2.540 126 S HA 0.162 4.632 4.470 0.000 0.000 0.222 126 S C 0.403 174.881 174.600 -0.204 0.000 1.008 126 S CA -0.231 57.873 58.200 -0.160 0.000 0.939 126 S CB 0.571 63.671 63.200 -0.166 0.000 0.865 126 S HN 0.442 nan 8.310 nan 0.000 0.499 127 N N 0.102 118.630 118.700 -0.287 0.000 2.166 127 N HA 0.091 4.831 4.740 0.000 0.000 0.213 127 N C 0.877 176.344 175.510 -0.071 0.000 1.222 127 N CA 0.466 53.351 53.050 -0.274 0.000 0.900 127 N CB 0.893 38.988 38.487 -0.653 0.000 1.055 127 N HN 0.188 nan 8.380 nan 0.000 0.515 128 T N -2.972 111.523 114.554 -0.099 0.000 2.964 128 T HA 0.309 4.660 4.350 0.000 0.000 0.249 128 T C 1.602 176.245 174.700 -0.095 0.000 1.000 128 T CA 0.445 62.499 62.100 -0.078 0.000 0.992 128 T CB 0.707 69.482 68.868 -0.154 0.000 1.087 128 T HN 0.169 nan 8.240 nan 0.000 0.489 129 G N 1.601 110.336 108.800 -0.108 0.000 2.234 129 G HA2 -0.257 3.703 3.960 0.000 0.000 0.260 129 G HA3 -0.257 3.703 3.960 0.000 0.000 0.260 129 G C 0.368 175.168 174.900 -0.167 0.000 0.987 129 G CA 0.440 45.471 45.100 -0.116 0.000 0.625 129 G HN 0.473 nan 8.290 nan 0.000 0.532 130 L N -0.841 120.224 121.223 -0.263 0.000 2.636 130 L HA 0.667 5.008 4.340 0.000 0.000 0.163 130 L C 1.173 177.829 176.870 -0.356 0.000 1.052 130 L CA 0.119 54.691 54.840 -0.447 0.000 1.170 130 L CB 0.065 41.688 42.059 -0.727 0.000 1.864 130 L HN 0.134 nan 8.230 nan 0.000 0.472 131 V N -0.436 119.211 119.914 -0.446 0.000 3.225 131 V HA 0.271 4.391 4.120 0.000 0.000 0.293 131 V C -0.718 175.316 176.094 -0.101 0.000 1.405 131 V CA -0.707 61.425 62.300 -0.280 0.000 1.038 131 V CB 2.774 34.325 31.823 -0.454 0.000 1.123 131 V HN 0.295 nan 8.190 nan 0.000 0.447 132 I N 3.732 124.294 120.570 -0.013 0.000 2.322 132 I HA 0.451 4.622 4.170 0.000 0.000 0.292 132 I C -0.363 175.865 176.117 0.185 0.000 1.060 132 I CA 0.632 61.994 61.300 0.103 0.000 1.309 132 I CB 0.391 38.440 38.000 0.083 0.000 1.415 132 I HN 0.671 nan 8.210 nan 0.000 0.492 133 D N 8.962 129.553 120.400 0.320 0.000 2.787 133 D HA 0.172 4.812 4.640 0.000 0.000 0.215 133 D C -2.459 173.974 176.300 0.220 0.000 1.246 133 D CA -1.010 53.169 54.000 0.297 0.000 0.798 133 D CB 3.192 44.228 40.800 0.394 0.000 1.649 133 D HN 0.058 nan 8.370 nan 0.000 0.507 134 P HA -0.109 nan 4.420 nan 0.000 0.234 134 P C 1.220 178.524 177.300 0.007 0.000 1.162 134 P CA 0.419 63.536 63.100 0.029 0.000 0.759 134 P CB -0.150 31.518 31.700 -0.054 0.000 0.813 135 Y N 1.372 121.523 120.300 -0.249 0.000 2.097 135 Y HA -0.121 4.430 4.550 0.000 0.000 0.282 135 Y C 0.800 176.359 175.900 -0.568 0.000 1.152 135 Y CA 0.179 57.996 58.100 -0.472 0.000 1.136 135 Y CB -1.358 36.732 38.460 -0.617 0.000 0.975 135 Y HN -0.212 nan 8.280 nan 0.000 0.498 136 F N 0.293 120.312 119.950 0.114 0.000 2.410 136 F HA 0.190 4.717 4.527 0.000 0.000 0.334 136 F C 1.936 177.752 175.800 0.027 0.000 1.134 136 F CA 0.115 58.097 58.000 -0.031 0.000 1.227 136 F CB 0.213 39.178 39.000 -0.058 0.000 1.194 136 F HN -0.115 nan 8.300 nan 0.000 0.571 137 S N 0.852 116.680 115.700 0.214 0.000 2.368 137 S HA -0.119 4.351 4.470 0.000 0.000 0.225 137 S C 2.319 176.962 174.600 0.072 0.000 1.030 137 S CA 0.725 59.009 58.200 0.139 0.000 0.999 137 S CB -1.356 61.968 63.200 0.207 0.000 0.844 137 S HN 0.931 nan 8.310 nan 0.000 0.459 138 G N 2.531 111.376 108.800 0.076 0.000 2.853 138 G HA2 -0.469 3.491 3.960 0.000 0.000 0.234 138 G HA3 -0.469 3.491 3.960 0.000 0.000 0.234 138 G C 1.673 176.566 174.900 -0.011 0.000 1.198 138 G CA 3.067 48.165 45.100 -0.003 0.000 0.767 138 G HN 0.721 nan 8.290 nan 0.000 0.657 139 T N -0.008 114.572 114.554 0.043 0.000 2.685 139 T HA -0.213 4.137 4.350 0.000 0.000 0.268 139 T C 2.203 176.929 174.700 0.044 0.000 1.034 139 T CA 2.324 64.452 62.100 0.046 0.000 1.149 139 T CB -0.375 68.532 68.868 0.066 0.000 0.860 139 T HN 0.514 nan 8.240 nan 0.000 0.449 140 K N 0.596 121.002 120.400 0.009 0.000 1.985 140 K HA -0.043 4.277 4.320 0.000 0.000 0.210 140 K C 2.477 179.096 176.600 0.031 0.000 1.047 140 K CA 1.737 58.007 56.287 -0.029 0.000 0.932 140 K CB -0.835 31.627 32.500 -0.064 0.000 0.716 140 K HN 0.352 nan 8.250 nan 0.000 0.439 141 V N 2.073 121.978 119.914 -0.015 0.000 2.222 141 V HA -0.398 3.722 4.120 0.000 0.000 0.252 141 V C 2.376 178.463 176.094 -0.012 0.000 1.060 141 V CA 2.467 64.732 62.300 -0.058 0.000 1.027 141 V CB -0.986 30.671 31.823 -0.276 0.000 0.644 141 V HN 0.392 nan 8.190 nan 0.000 0.448 142 K N -0.004 120.379 120.400 -0.028 0.000 1.990 142 K HA -0.331 3.989 4.320 0.000 0.000 0.225 142 K C 1.855 178.486 176.600 0.052 0.000 1.053 142 K CA 2.644 58.922 56.287 -0.015 0.000 0.982 142 K CB -1.009 31.482 32.500 -0.015 0.000 0.734 142 K HN 0.480 nan 8.250 nan 0.000 0.448 143 W N 0.606 121.861 121.300 -0.075 0.000 2.284 143 W HA -0.418 4.242 4.660 0.000 0.000 0.355 143 W C 1.725 178.240 176.519 -0.007 0.000 1.501 143 W CA 2.924 60.245 57.345 -0.040 0.000 1.448 143 W CB -0.870 28.481 29.460 -0.181 0.000 1.045 143 W HN 0.342 nan 8.180 nan 0.000 0.470 144 I N -0.352 120.447 120.570 0.381 0.000 2.053 144 I HA -0.402 3.768 4.170 0.000 0.000 0.236 144 I C 2.446 178.553 176.117 -0.016 0.000 1.038 144 I CA 1.795 63.191 61.300 0.161 0.000 1.304 144 I CB -1.686 36.372 38.000 0.097 0.000 1.023 144 I HN 0.057 nan 8.210 nan 0.000 0.395 145 L N 0.550 121.759 121.223 -0.022 0.000 2.054 145 L HA -0.283 4.058 4.340 0.000 0.000 0.240 145 L C 1.271 178.071 176.870 -0.116 0.000 1.107 145 L CA 2.168 56.967 54.840 -0.068 0.000 0.833 145 L CB -1.838 40.171 42.059 -0.082 0.000 0.929 145 L HN 0.530 nan 8.230 nan 0.000 0.447 146 D N -1.478 118.819 120.400 -0.172 0.000 2.767 146 D HA -0.005 4.635 4.640 0.000 0.000 0.231 146 D C 1.026 177.024 176.300 -0.504 0.000 1.105 146 D CA 0.220 54.053 54.000 -0.279 0.000 1.024 146 D CB -0.233 40.407 40.800 -0.266 0.000 1.123 146 D HN 0.517 nan 8.370 nan 0.000 0.470 147 H N -1.344 117.524 119.070 -0.337 0.000 3.170 147 H HA 0.123 4.680 4.556 0.000 0.000 0.215 147 H C -0.185 175.006 175.328 -0.230 0.000 1.055 147 H CA 0.052 55.826 56.048 -0.456 0.000 0.998 147 H CB 0.935 30.103 29.762 -0.990 0.000 1.059 147 H HN 0.081 nan 8.280 nan 0.000 0.700 148 V N 1.012 120.908 119.914 -0.031 0.000 3.193 148 V HA 0.147 4.268 4.120 0.000 0.000 0.320 148 V C 1.240 177.323 176.094 -0.019 0.000 1.112 148 V CA -0.127 62.189 62.300 0.025 0.000 1.026 148 V CB 2.745 34.600 31.823 0.053 0.000 1.128 148 V HN 0.123 nan 8.190 nan 0.000 0.452 149 E N 1.667 121.867 120.200 0.000 0.000 2.023 149 E HA 0.085 4.435 4.350 0.000 0.000 0.195 149 E C 1.866 178.450 176.600 -0.027 0.000 0.964 149 E CA 1.416 57.806 56.400 -0.018 0.000 0.845 149 E CB -0.845 28.853 29.700 -0.003 0.000 0.813 149 E HN 0.821 nan 8.360 nan 0.000 0.476 150 G N 0.971 109.761 108.800 -0.017 0.000 2.422 150 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 150 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 150 G C 1.339 176.219 174.900 -0.034 0.000 1.146 150 G CA 2.153 47.239 45.100 -0.023 0.000 0.769 150 G HN 0.376 nan 8.290 nan 0.000 0.547 151 S N 1.085 116.766 115.700 -0.031 0.000 2.121 151 S HA -0.499 3.972 4.470 0.000 0.000 0.536 151 S C 1.841 176.408 174.600 -0.056 0.000 0.916 151 S CA 2.029 60.203 58.200 -0.042 0.000 3.378 151 S CB -1.007 62.166 63.200 -0.044 0.000 2.349 151 S HN 0.508 nan 8.310 nan 0.000 0.584 152 R N 1.940 122.402 120.500 -0.064 0.000 2.196 152 R HA -0.218 4.122 4.340 0.000 0.000 0.259 152 R C 2.507 178.771 176.300 -0.060 0.000 1.154 152 R CA 2.247 58.306 56.100 -0.069 0.000 0.976 152 R CB -0.539 29.719 30.300 -0.071 0.000 0.888 152 R HN 0.723 nan 8.270 nan 0.000 0.453 153 E N 0.303 120.473 120.200 -0.050 0.000 1.992 153 E HA -0.247 4.103 4.350 0.000 0.000 0.202 153 E C 1.960 178.533 176.600 -0.044 0.000 1.007 153 E CA 1.619 57.993 56.400 -0.042 0.000 0.857 153 E CB -0.501 29.179 29.700 -0.033 0.000 0.796 153 E HN 0.475 nan 8.360 nan 0.000 0.486 154 R N 1.578 122.053 120.500 -0.041 0.000 2.159 154 R HA -0.250 4.090 4.340 0.000 0.000 0.249 154 R C 2.458 178.720 176.300 -0.063 0.000 1.136 154 R CA 1.685 57.758 56.100 -0.046 0.000 0.951 154 R CB -1.358 28.916 30.300 -0.043 0.000 0.876 154 R HN 0.221 nan 8.270 nan 0.000 0.440 155 A N 1.745 124.521 122.820 -0.073 0.000 1.883 155 A HA -0.338 3.982 4.320 0.000 0.000 0.222 155 A C 2.401 179.938 177.584 -0.078 0.000 1.339 155 A CA 2.505 54.488 52.037 -0.089 0.000 0.692 155 A CB -0.925 18.022 19.000 -0.089 0.000 0.845 155 A HN 0.479 nan 8.150 nan 0.000 0.467 156 R N -0.135 120.327 120.500 -0.064 0.000 2.096 156 R HA -0.157 4.183 4.340 0.000 0.000 0.240 156 R C 1.723 177.999 176.300 -0.039 0.000 1.139 156 R CA 1.778 57.847 56.100 -0.051 0.000 0.952 156 R CB -0.271 30.003 30.300 -0.045 0.000 0.854 156 R HN 0.670 nan 8.270 nan 0.000 0.436 157 R N 0.255 120.734 120.500 -0.036 0.000 3.385 157 R HA 0.095 4.435 4.340 0.000 0.000 0.236 157 R C 0.550 176.833 176.300 -0.029 0.000 1.663 157 R CA 0.769 56.854 56.100 -0.025 0.000 1.444 157 R CB -0.712 29.577 30.300 -0.019 0.000 1.218 157 R HN 0.418 nan 8.270 nan 0.000 0.575 158 G N 1.354 110.130 108.800 -0.040 0.000 2.280 158 G HA2 -0.367 3.593 3.960 0.000 0.000 0.282 158 G HA3 -0.367 3.593 3.960 0.000 0.000 0.282 158 G C 0.696 175.550 174.900 -0.077 0.000 1.000 158 G CA 0.985 46.054 45.100 -0.051 0.000 0.751 158 G HN 0.590 nan 8.290 nan 0.000 0.515 159 E N -1.223 118.932 120.200 -0.075 0.000 2.338 159 E HA 0.137 4.488 4.350 0.000 0.000 0.197 159 E C 1.118 177.633 176.600 -0.142 0.000 1.007 159 E CA 0.357 56.710 56.400 -0.078 0.000 0.849 159 E CB 0.033 29.704 29.700 -0.049 0.000 0.774 159 E HN 0.608 nan 8.360 nan 0.000 0.506 160 L N 0.604 121.710 121.223 -0.195 0.000 2.341 160 L HA 0.483 4.823 4.340 0.000 0.000 0.267 160 L C -0.703 175.897 176.870 -0.449 0.000 1.009 160 L CA -0.763 53.896 54.840 -0.301 0.000 0.819 160 L CB 1.796 43.736 42.059 -0.198 0.000 1.323 160 L HN -0.078 nan 8.230 nan 0.000 0.425 161 L N 1.876 122.609 121.223 -0.816 0.000 2.354 161 L HA 0.568 4.908 4.340 0.000 0.000 0.269 161 L C -1.305 174.986 176.870 -0.964 0.000 1.005 161 L CA -0.542 53.599 54.840 -1.166 0.000 0.819 161 L CB 2.377 43.118 42.059 -2.196 0.000 1.311 161 L HN 0.424 nan 8.230 nan 0.000 0.423 162 F N 2.025 121.641 119.950 -0.557 0.000 2.539 162 F HA 0.860 5.387 4.527 0.000 0.000 0.318 162 F C -0.293 175.620 175.800 0.188 0.000 1.135 162 F CA -0.259 57.647 58.000 -0.156 0.000 0.915 162 F CB 1.757 40.700 39.000 -0.096 0.000 1.176 162 F HN 0.388 nan 8.300 nan 0.000 0.440 163 G N 2.314 110.740 108.800 -0.624 0.000 2.721 163 G HA2 0.585 4.545 3.960 0.000 0.000 0.296 163 G HA3 0.585 4.545 3.960 0.000 0.000 0.296 163 G C -1.651 172.871 174.900 -0.630 0.000 1.383 163 G CA -0.840 43.808 45.100 -0.752 0.000 0.788 163 G HN 0.707 nan 8.290 nan 0.000 0.500 164 T N -0.275 114.080 114.554 -0.331 0.000 2.925 164 T HA 0.468 4.818 4.350 0.000 0.000 0.285 164 T C 1.787 176.482 174.700 -0.009 0.000 1.021 164 T CA -0.045 61.984 62.100 -0.117 0.000 1.042 164 T CB 1.688 70.518 68.868 -0.064 0.000 1.037 164 T HN 0.780 nan 8.240 nan 0.000 0.481 165 V N 1.546 121.476 119.914 0.026 0.000 2.277 165 V HA -0.400 3.721 4.120 0.000 0.000 0.256 165 V C 2.725 178.892 176.094 0.122 0.000 1.069 165 V CA 2.596 64.952 62.300 0.093 0.000 1.096 165 V CB -1.365 30.513 31.823 0.092 0.000 0.741 165 V HN 1.095 nan 8.190 nan 0.000 0.470 166 D N 0.139 120.568 120.400 0.049 0.000 2.103 166 D HA -0.227 4.413 4.640 0.000 0.000 0.190 166 D C 1.926 178.236 176.300 0.017 0.000 0.997 166 D CA 2.547 56.556 54.000 0.014 0.000 0.833 166 D CB -1.219 39.551 40.800 -0.050 0.000 0.961 166 D HN 0.492 nan 8.370 nan 0.000 0.447 167 T N 0.211 114.773 114.554 0.014 0.000 2.597 167 T HA -0.232 4.119 4.350 0.000 0.000 0.267 167 T C 1.452 176.234 174.700 0.137 0.000 1.053 167 T CA 1.991 64.130 62.100 0.066 0.000 1.165 167 T CB -0.925 67.969 68.868 0.045 0.000 0.863 167 T HN 0.453 nan 8.240 nan 0.000 0.427 168 W N 1.545 122.757 121.300 -0.147 0.000 2.302 168 W HA -0.270 4.391 4.660 0.001 0.000 0.320 168 W C 1.809 178.132 176.519 -0.328 0.000 1.241 168 W CA 0.810 57.924 57.345 -0.385 0.000 1.264 168 W CB -0.629 28.583 29.460 -0.414 0.000 1.154 168 W HN 0.158 nan 8.180 nan 0.000 0.483 169 L N 1.172 122.278 121.223 -0.196 0.000 1.963 169 L HA -0.297 4.043 4.340 0.000 0.000 0.220 169 L C 2.570 179.292 176.870 -0.246 0.000 1.076 169 L CA 1.939 56.624 54.840 -0.259 0.000 0.772 169 L CB -1.879 40.188 42.059 0.013 0.000 0.892 169 L HN -0.021 nan 8.230 nan 0.000 0.435 170 I N -1.481 119.037 120.570 -0.087 0.000 2.053 170 I HA -0.362 3.808 4.170 0.000 0.000 0.236 170 I C 2.286 178.368 176.117 -0.058 0.000 1.038 170 I CA 1.457 62.737 61.300 -0.032 0.000 1.304 170 I CB -1.337 36.677 38.000 0.022 0.000 1.023 170 I HN 0.451 nan 8.210 nan 0.000 0.395 171 W N 1.859 123.040 121.300 -0.199 0.000 2.256 171 W HA -0.415 4.245 4.660 0.001 0.000 0.341 171 W C 2.592 178.855 176.519 -0.427 0.000 1.372 171 W CA 2.849 60.056 57.345 -0.231 0.000 1.342 171 W CB -0.356 28.974 29.460 -0.216 0.000 1.107 171 W HN 0.026 nan 8.180 nan 0.000 0.474 172 K N -0.243 119.865 120.400 -0.486 0.000 1.975 172 K HA -0.270 4.050 4.320 0.000 0.000 0.230 172 K C 1.936 178.303 176.600 -0.388 0.000 1.044 172 K CA 2.623 58.398 56.287 -0.853 0.000 1.022 172 K CB -1.844 29.469 32.500 -1.978 0.000 0.739 172 K HN 0.376 nan 8.250 nan 0.000 0.446 173 M N 0.904 120.410 119.600 -0.158 0.000 2.405 173 M HA -0.214 4.266 4.480 0.000 0.000 0.256 173 M C 1.996 178.254 176.300 -0.071 0.000 1.067 173 M CA 2.812 58.121 55.300 0.016 0.000 1.073 173 M CB -2.214 30.416 32.600 0.050 0.000 1.273 173 M HN 0.358 nan 8.290 nan 0.000 0.443 174 T N -0.734 113.748 114.554 -0.120 0.000 3.439 174 T HA 0.101 4.452 4.350 0.000 0.000 0.251 174 T C 0.461 174.995 174.700 -0.276 0.000 1.108 174 T CA 0.062 62.077 62.100 -0.142 0.000 0.982 174 T CB -0.986 67.829 68.868 -0.089 0.000 1.024 174 T HN 0.615 nan 8.240 nan 0.000 0.573 175 Q N 0.339 119.940 119.800 -0.331 0.000 2.372 175 Q HA -0.236 4.105 4.340 0.000 0.000 0.333 175 Q C 1.064 176.615 176.000 -0.750 0.000 1.285 175 Q CA 0.506 56.030 55.803 -0.465 0.000 0.983 175 Q CB -2.618 25.965 28.738 -0.259 0.000 1.229 175 Q HN 1.073 nan 8.270 nan 0.000 0.442 176 G N -0.468 107.606 108.800 -1.209 0.000 2.149 176 G HA2 -0.333 3.627 3.960 0.000 0.000 0.235 176 G HA3 -0.333 3.627 3.960 0.000 0.000 0.235 176 G C 0.589 175.137 174.900 -0.587 0.000 1.018 176 G CA 0.391 44.525 45.100 -1.610 0.000 0.728 176 G HN 0.499 nan 8.290 nan 0.000 0.508 177 R N -1.266 119.024 120.500 -0.351 0.000 2.175 177 R HA 0.342 4.682 4.340 0.000 0.000 0.202 177 R C 0.694 176.999 176.300 0.007 0.000 1.018 177 R CA 1.262 57.289 56.100 -0.121 0.000 1.029 177 R CB 0.605 30.854 30.300 -0.085 0.000 0.959 177 R HN 0.413 nan 8.270 nan 0.000 0.480 178 V N 0.283 120.224 119.914 0.046 0.000 2.656 178 V HA 0.241 4.362 4.120 0.000 0.000 0.307 178 V C -1.123 175.171 176.094 0.333 0.000 1.051 178 V CA -1.046 61.352 62.300 0.164 0.000 0.893 178 V CB 1.777 33.673 31.823 0.122 0.000 0.999 178 V HN 0.103 nan 8.190 nan 0.000 0.426 179 H N 3.078 122.286 119.070 0.230 0.000 2.539 179 H HA 0.765 5.321 4.556 0.000 0.000 0.247 179 H C -0.750 174.693 175.328 0.192 0.000 1.363 179 H CA -0.194 56.020 56.048 0.277 0.000 1.371 179 H CB 1.104 31.044 29.762 0.297 0.000 1.438 179 H HN 0.678 nan 8.280 nan 0.000 0.523 180 V N 2.908 122.860 119.914 0.064 0.000 3.182 180 V HA 0.816 4.936 4.120 0.000 0.000 0.308 180 V C -1.135 174.873 176.094 -0.144 0.000 1.240 180 V CA -0.220 62.039 62.300 -0.068 0.000 1.063 180 V CB 2.348 34.151 31.823 -0.034 0.000 1.076 180 V HN 0.634 nan 8.190 nan 0.000 0.446 181 T N 1.333 115.769 114.554 -0.197 0.000 2.792 181 T HA 0.455 4.805 4.350 0.000 0.000 0.303 181 T C -1.893 172.606 174.700 -0.336 0.000 1.310 181 T CA -0.044 61.913 62.100 -0.239 0.000 1.007 181 T CB 1.643 70.432 68.868 -0.131 0.000 1.335 181 T HN 1.143 nan 8.240 nan 0.000 0.504 182 D N -0.106 120.076 120.400 -0.363 0.000 2.494 182 D HA 0.248 4.889 4.640 0.000 0.000 0.259 182 D C 0.440 176.493 176.300 -0.412 0.000 1.109 182 D CA -0.437 53.257 54.000 -0.510 0.000 1.040 182 D CB 0.618 41.155 40.800 -0.438 0.000 1.175 182 D HN 0.402 nan 8.370 nan 0.000 0.584 183 Y N 0.138 120.289 120.300 -0.248 0.000 2.133 183 Y HA -0.180 4.370 4.550 0.000 0.000 0.287 183 Y C 2.936 178.616 175.900 -0.367 0.000 1.134 183 Y CA 1.741 59.624 58.100 -0.361 0.000 1.133 183 Y CB -1.710 36.625 38.460 -0.208 0.000 0.987 183 Y HN 0.596 nan 8.280 nan 0.000 0.502 184 T N -1.122 113.368 114.554 -0.106 0.000 2.592 184 T HA -0.346 4.004 4.350 0.000 0.000 0.267 184 T C 1.690 176.300 174.700 -0.151 0.000 1.060 184 T CA 2.135 64.159 62.100 -0.126 0.000 1.167 184 T CB -1.156 67.631 68.868 -0.135 0.000 0.863 184 T HN 0.481 nan 8.240 nan 0.000 0.431 185 N N 1.792 120.394 118.700 -0.163 0.000 2.104 185 N HA -0.008 4.732 4.740 0.000 0.000 0.190 185 N C 2.404 177.828 175.510 -0.144 0.000 1.024 185 N CA 0.959 53.927 53.050 -0.138 0.000 0.853 185 N CB -0.404 38.004 38.487 -0.133 0.000 1.008 185 N HN 0.595 nan 8.380 nan 0.000 0.424 186 A N 1.062 123.731 122.820 -0.252 0.000 1.841 186 A HA -0.239 4.081 4.320 0.000 0.000 0.216 186 A C 2.189 179.534 177.584 -0.398 0.000 1.199 186 A CA 2.086 53.898 52.037 -0.376 0.000 0.621 186 A CB -1.359 17.159 19.000 -0.802 0.000 0.835 186 A HN 0.359 nan 8.150 nan 0.000 0.445 187 S N -0.230 115.125 115.700 -0.576 0.000 2.369 187 S HA -0.442 4.028 4.470 0.000 0.000 0.299 187 S C 2.134 176.689 174.600 -0.076 0.000 1.123 187 S CA 2.517 60.568 58.200 -0.249 0.000 1.430 187 S CB -0.704 62.416 63.200 -0.134 0.000 1.297 187 S HN 0.554 nan 8.310 nan 0.000 0.463 188 R N 1.221 121.682 120.500 -0.066 0.000 2.234 188 R HA -0.186 4.154 4.340 0.000 0.000 0.262 188 R C 2.641 178.998 176.300 0.095 0.000 1.150 188 R CA 2.237 58.338 56.100 0.002 0.000 0.981 188 R CB -2.561 27.726 30.300 -0.022 0.000 0.899 188 R HN 0.955 nan 8.270 nan 0.000 0.458 189 T N -1.832 112.803 114.554 0.135 0.000 2.721 189 T HA -0.239 4.111 4.350 0.000 0.000 0.268 189 T C 1.482 176.271 174.700 0.147 0.000 1.038 189 T CA 1.671 63.892 62.100 0.202 0.000 1.145 189 T CB -0.227 68.813 68.868 0.287 0.000 0.858 189 T HN 0.525 nan 8.240 nan 0.000 0.459 190 M N -0.279 119.362 119.600 0.069 0.000 2.879 190 M HA -0.156 4.324 4.480 0.000 0.000 0.218 190 M C -0.947 175.393 176.300 0.068 0.000 0.518 190 M CA 0.505 55.789 55.300 -0.026 0.000 0.751 190 M CB -1.452 31.093 32.600 -0.091 0.000 2.742 190 M HN 0.540 nan 8.290 nan 0.000 0.557 191 L N -1.293 120.035 121.223 0.175 0.000 3.132 191 L HA 0.605 4.945 4.340 0.000 0.000 0.333 191 L C -0.717 176.414 176.870 0.435 0.000 1.293 191 L CA -0.513 54.455 54.840 0.214 0.000 0.809 191 L CB 0.540 42.660 42.059 0.102 0.000 1.244 191 L HN 0.254 nan 8.230 nan 0.000 0.586 192 F N 0.410 120.456 119.950 0.159 0.000 2.588 192 F HA 0.499 5.026 4.527 0.000 0.000 0.318 192 F C -0.928 174.900 175.800 0.047 0.000 1.155 192 F CA -0.734 57.365 58.000 0.165 0.000 0.967 192 F CB 1.520 40.623 39.000 0.171 0.000 1.236 192 F HN 0.092 nan 8.300 nan 0.000 0.455 193 N N 6.366 124.841 118.700 -0.375 0.000 2.442 193 N HA 0.163 4.904 4.740 0.000 0.000 0.265 193 N C 1.141 176.473 175.510 -0.296 0.000 1.138 193 N CA 0.095 52.986 53.050 -0.266 0.000 0.956 193 N CB 0.940 39.288 38.487 -0.232 0.000 1.067 193 N HN 0.891 nan 8.380 nan 0.000 0.474 194 I N 1.204 121.827 120.570 0.089 0.000 3.419 194 I HA 0.075 4.245 4.170 0.000 0.000 0.286 194 I C -0.285 175.899 176.117 0.111 0.000 1.268 194 I CA 0.340 61.734 61.300 0.157 0.000 1.414 194 I CB -0.070 37.998 38.000 0.114 0.000 1.074 194 I HN 0.294 nan 8.210 nan 0.000 0.457 195 H N 0.277 119.288 119.070 -0.098 0.000 2.351 195 H HA 0.584 5.140 4.556 0.000 0.000 0.232 195 H C 0.043 175.295 175.328 -0.127 0.000 1.452 195 H CA -1.079 54.925 56.048 -0.074 0.000 1.236 195 H CB 0.354 30.067 29.762 -0.082 0.000 1.579 195 H HN 0.102 nan 8.280 nan 0.000 0.535 196 T N 0.161 114.683 114.554 -0.054 0.000 3.426 196 T HA -0.013 4.337 4.350 0.000 0.000 0.276 196 T C -0.517 173.983 174.700 -0.333 0.000 0.846 196 T CA -0.273 61.720 62.100 -0.179 0.000 0.870 196 T CB 0.177 68.923 68.868 -0.202 0.000 1.198 196 T HN 0.227 nan 8.240 nan 0.000 0.681 197 L N 2.902 123.831 121.223 -0.490 0.000 3.795 197 L HA -0.084 4.256 4.340 0.000 0.000 0.489 197 L C -0.440 175.867 176.870 -0.939 0.000 1.259 197 L CA 1.216 55.633 54.840 -0.706 0.000 0.765 197 L CB -2.338 39.470 42.059 -0.418 0.000 1.519 197 L HN 0.651 nan 8.230 nan 0.000 0.842 198 D N -1.514 118.028 120.400 -1.430 0.000 2.720 198 D HA 0.319 4.959 4.640 0.000 0.000 0.239 198 D C -0.266 175.685 176.300 -0.581 0.000 1.218 198 D CA -0.422 53.072 54.000 -0.843 0.000 0.748 198 D CB 0.576 41.164 40.800 -0.353 0.000 1.387 198 D HN 0.105 nan 8.370 nan 0.000 0.438 199 W N 1.397 122.618 121.300 -0.133 0.000 2.576 199 W HA 0.044 4.704 4.660 0.000 0.000 0.339 199 W C 0.849 177.328 176.519 -0.066 0.000 1.170 199 W CA 0.078 57.426 57.345 0.004 0.000 1.370 199 W CB 0.327 29.824 29.460 0.062 0.000 1.187 199 W HN 0.178 nan 8.180 nan 0.000 0.584 200 D N 2.243 122.799 120.400 0.259 0.000 2.473 200 D HA 0.017 4.657 4.640 0.000 0.000 0.253 200 D C 0.605 176.976 176.300 0.118 0.000 1.233 200 D CA -0.311 53.773 54.000 0.139 0.000 0.908 200 D CB 0.806 41.673 40.800 0.112 0.000 1.170 200 D HN 0.444 nan 8.370 nan 0.000 0.558 201 D N 3.282 123.732 120.400 0.084 0.000 2.355 201 D HA -0.288 4.352 4.640 0.000 0.000 0.192 201 D C 1.678 177.989 176.300 0.018 0.000 1.014 201 D CA 1.157 55.180 54.000 0.037 0.000 0.862 201 D CB 0.210 41.025 40.800 0.025 0.000 0.986 201 D HN 0.485 nan 8.370 nan 0.000 0.456 202 K N 0.040 120.453 120.400 0.021 0.000 1.984 202 K HA -0.251 4.069 4.320 0.000 0.000 0.232 202 K C 2.172 178.762 176.600 -0.016 0.000 1.016 202 K CA 1.666 57.918 56.287 -0.057 0.000 1.010 202 K CB -0.640 31.783 32.500 -0.128 0.000 0.739 202 K HN 0.201 nan 8.250 nan 0.000 0.450 203 M N 0.541 120.190 119.600 0.082 0.000 2.113 203 M HA -0.218 4.262 4.480 0.000 0.000 0.255 203 M C 2.494 178.793 176.300 -0.001 0.000 1.073 203 M CA 1.586 56.925 55.300 0.065 0.000 1.091 203 M CB -1.337 31.330 32.600 0.112 0.000 1.309 203 M HN 0.250 nan 8.290 nan 0.000 0.407 204 L N -0.018 121.199 121.223 -0.010 0.000 1.990 204 L HA -0.270 4.071 4.340 0.000 0.000 0.213 204 L C 2.815 179.642 176.870 -0.071 0.000 1.072 204 L CA 2.163 56.965 54.840 -0.063 0.000 0.755 204 L CB -0.654 41.370 42.059 -0.058 0.000 0.889 204 L HN 0.484 nan 8.230 nan 0.000 0.432 205 E N -0.484 119.685 120.200 -0.053 0.000 2.060 205 E HA -0.167 4.184 4.350 0.000 0.000 0.189 205 E C 2.248 178.817 176.600 -0.051 0.000 0.974 205 E CA 1.242 57.608 56.400 -0.055 0.000 0.808 205 E CB -0.657 29.014 29.700 -0.050 0.000 0.768 205 E HN 0.245 nan 8.360 nan 0.000 0.453 206 V N 1.500 121.386 119.914 -0.047 0.000 2.277 206 V HA -0.272 3.848 4.120 0.000 0.000 0.253 206 V C 2.465 178.542 176.094 -0.028 0.000 1.067 206 V CA 1.951 64.228 62.300 -0.039 0.000 1.047 206 V CB -0.340 31.462 31.823 -0.036 0.000 0.649 206 V HN 0.324 nan 8.190 nan 0.000 0.447 207 L N -0.496 120.706 121.223 -0.034 0.000 2.492 207 L HA 0.121 4.461 4.340 0.000 0.000 0.223 207 L C 0.872 177.704 176.870 -0.063 0.000 1.132 207 L CA 0.996 55.812 54.840 -0.040 0.000 0.850 207 L CB -0.092 41.939 42.059 -0.047 0.000 0.966 207 L HN 0.572 nan 8.230 nan 0.000 0.454 208 D N 0.783 121.142 120.400 -0.067 0.000 2.990 208 D HA -0.208 4.432 4.640 0.000 0.000 0.245 208 D C -0.801 175.438 176.300 -0.102 0.000 1.120 208 D CA 0.510 54.465 54.000 -0.076 0.000 0.838 208 D CB -0.990 39.772 40.800 -0.063 0.000 1.000 208 D HN 0.137 nan 8.370 nan 0.000 0.420 209 I N 1.844 122.338 120.570 -0.126 0.000 2.468 209 I HA 0.365 4.535 4.170 0.000 0.000 0.285 209 I C -1.948 174.065 176.117 -0.174 0.000 1.039 209 I CA -1.902 59.294 61.300 -0.173 0.000 1.074 209 I CB 2.093 39.943 38.000 -0.251 0.000 1.228 209 I HN -0.081 nan 8.210 nan 0.000 0.436 210 P HA 0.028 nan 4.420 nan 0.000 0.261 210 P C 0.618 177.822 177.300 -0.160 0.000 1.173 210 P CA -0.167 62.856 63.100 -0.128 0.000 0.760 210 P CB 0.676 32.314 31.700 -0.104 0.000 0.783 211 R N 2.185 122.609 120.500 -0.126 0.000 2.293 211 R HA -0.139 4.201 4.340 0.000 0.000 0.219 211 R C 1.012 177.268 176.300 -0.073 0.000 1.091 211 R CA 1.188 57.209 56.100 -0.132 0.000 1.004 211 R CB 0.067 30.340 30.300 -0.046 0.000 0.865 211 R HN 0.512 nan 8.270 nan 0.000 0.469 212 E N 0.815 120.984 120.200 -0.051 0.000 1.949 212 E HA -0.217 4.133 4.350 0.000 0.000 0.205 212 E C 1.755 178.359 176.600 0.007 0.000 0.957 212 E CA 1.600 57.992 56.400 -0.013 0.000 0.886 212 E CB -0.571 29.108 29.700 -0.035 0.000 0.824 212 E HN 0.222 nan 8.360 nan 0.000 0.555 213 M N 0.255 119.829 119.600 -0.044 0.000 2.678 213 M HA -0.174 4.306 4.480 0.000 0.000 0.249 213 M C -0.374 176.047 176.300 0.201 0.000 1.087 213 M CA 0.918 56.199 55.300 -0.032 0.000 1.028 213 M CB -0.779 31.763 32.600 -0.097 0.000 1.337 213 M HN -0.057 nan 8.290 nan 0.000 0.491 214 L N 2.772 124.075 121.223 0.134 0.000 2.416 214 L HA 0.375 4.716 4.340 0.000 0.000 0.272 214 L C -2.062 175.016 176.870 0.347 0.000 1.161 214 L CA -1.471 53.455 54.840 0.145 0.000 0.845 214 L CB 0.336 42.154 42.059 -0.402 0.000 1.119 214 L HN 0.093 nan 8.230 nan 0.000 0.464 215 P HA 0.191 nan 4.420 nan 0.000 0.285 215 P C -1.018 176.362 177.300 0.133 0.000 1.269 215 P CA -0.876 61.903 63.100 -0.535 0.000 0.844 215 P CB 0.692 31.649 31.700 -1.238 0.000 1.094 216 E N 0.881 121.112 120.200 0.052 0.000 2.328 216 E HA 0.152 4.502 4.350 0.000 0.000 0.265 216 E C -0.580 176.009 176.600 -0.018 0.000 1.057 216 E CA -0.305 56.140 56.400 0.075 0.000 0.916 216 E CB 0.142 29.903 29.700 0.102 0.000 0.993 216 E HN 0.102 nan 8.360 nan 0.000 0.446 217 V N 6.490 126.354 119.914 -0.083 0.000 2.508 217 V HA 0.260 4.380 4.120 0.000 0.000 0.281 217 V C 0.644 176.790 176.094 0.088 0.000 1.041 217 V CA -0.132 62.142 62.300 -0.044 0.000 1.016 217 V CB 0.713 32.497 31.823 -0.065 0.000 0.984 217 V HN 0.652 nan 8.190 nan 0.000 0.478 218 R N 2.775 123.154 120.500 -0.201 0.000 2.987 218 R HA 0.536 4.876 4.340 0.000 0.000 0.248 218 R C -0.262 175.441 176.300 -0.995 0.000 1.264 218 R CA -1.178 54.727 56.100 -0.324 0.000 1.026 218 R CB 1.389 31.672 30.300 -0.029 0.000 1.286 218 R HN 0.680 nan 8.270 nan 0.000 0.483 219 R N 0.255 120.484 120.500 -0.452 0.000 2.543 219 R HA 0.110 4.451 4.340 0.000 0.000 0.277 219 R C 0.196 176.394 176.300 -0.171 0.000 1.074 219 R CA 0.207 56.091 56.100 -0.359 0.000 1.076 219 R CB 0.601 30.862 30.300 -0.066 0.000 0.993 219 R HN 0.565 nan 8.270 nan 0.000 0.459 220 S N 1.281 116.856 115.700 -0.209 0.000 2.474 220 S HA -0.084 4.386 4.470 0.000 0.000 0.235 220 S C 0.716 175.348 174.600 0.052 0.000 0.997 220 S CA 0.806 58.938 58.200 -0.113 0.000 0.949 220 S CB 0.126 63.211 63.200 -0.191 0.000 0.766 220 S HN 0.543 nan 8.310 nan 0.000 0.517 221 S N 1.276 116.993 115.700 0.028 0.000 2.252 221 S HA 0.408 4.878 4.470 0.000 0.000 0.187 221 S C -0.602 173.941 174.600 -0.096 0.000 1.587 221 S CA -0.740 57.463 58.200 0.005 0.000 1.215 221 S CB 0.080 63.277 63.200 -0.005 0.000 1.085 221 S HN 0.576 nan 8.310 nan 0.000 0.466 222 E N 1.404 121.402 120.200 -0.336 0.000 2.449 222 E HA 0.531 4.881 4.350 0.000 0.000 0.278 222 E C -1.741 174.218 176.600 -1.068 0.000 1.059 222 E CA -0.979 55.101 56.400 -0.533 0.000 0.854 222 E CB 1.099 30.621 29.700 -0.296 0.000 1.465 222 E HN 0.190 nan 8.360 nan 0.000 0.462 223 V N 3.172 122.679 119.914 -0.677 0.000 2.294 223 V HA 0.189 4.309 4.120 0.000 0.000 0.272 223 V C -0.310 175.538 176.094 -0.410 0.000 1.027 223 V CA -0.494 61.471 62.300 -0.558 0.000 0.823 223 V CB -0.083 31.603 31.823 -0.228 0.000 1.030 223 V HN 0.653 nan 8.190 nan 0.000 0.457 224 Y N 3.251 123.553 120.300 0.002 0.000 2.337 224 Y HA 0.462 5.013 4.550 0.000 0.000 0.293 224 Y C 1.575 177.483 175.900 0.013 0.000 1.123 224 Y CA 0.676 58.780 58.100 0.005 0.000 1.201 224 Y CB -0.085 38.374 38.460 -0.001 0.000 1.011 224 Y HN 0.721 nan 8.280 nan 0.000 0.545 225 G N -1.035 107.826 108.800 0.102 0.000 2.323 225 G HA2 0.375 4.335 3.960 0.000 0.000 0.291 225 G HA3 0.375 4.335 3.960 0.000 0.000 0.291 225 G C -1.836 173.091 174.900 0.045 0.000 1.278 225 G CA -1.100 44.039 45.100 0.064 0.000 0.860 225 G HN -0.049 nan 8.290 nan 0.000 0.504 226 Q N -0.578 119.240 119.800 0.030 0.000 2.399 226 Q HA 0.673 5.013 4.340 0.000 0.000 0.276 226 Q C -1.190 174.821 176.000 0.018 0.000 1.098 226 Q CA -0.966 54.851 55.803 0.023 0.000 0.827 226 Q CB 2.348 31.095 28.738 0.015 0.000 1.386 226 Q HN 0.576 nan 8.270 nan 0.000 0.443 227 T N -0.461 114.106 114.554 0.022 0.000 2.779 227 T HA 0.320 4.670 4.350 0.000 0.000 0.280 227 T C -0.348 174.362 174.700 0.017 0.000 0.987 227 T CA -0.779 61.334 62.100 0.020 0.000 0.966 227 T CB 0.577 69.466 68.868 0.034 0.000 0.933 227 T HN 0.546 nan 8.240 nan 0.000 0.442 228 N N 2.262 120.968 118.700 0.010 0.000 3.083 228 N HA 0.257 4.997 4.740 0.000 0.000 0.260 228 N C 1.310 176.829 175.510 0.015 0.000 1.163 228 N CA -0.342 52.714 53.050 0.010 0.000 1.060 228 N CB 0.042 38.531 38.487 0.003 0.000 1.345 228 N HN 0.742 nan 8.380 nan 0.000 0.515 229 I N 1.237 121.818 120.570 0.019 0.000 2.286 229 I HA 0.175 4.346 4.170 0.000 0.000 0.245 229 I C 1.099 177.225 176.117 0.015 0.000 1.104 229 I CA 1.055 62.367 61.300 0.019 0.000 1.397 229 I CB -0.366 37.647 38.000 0.021 0.000 1.072 229 I HN 0.413 nan 8.210 nan 0.000 0.417 236 R N 2.282 122.790 120.500 0.014 0.000 2.267 236 R HA 0.478 4.818 4.340 0.000 0.000 0.319 236 R C -0.154 176.157 176.300 0.019 0.000 1.067 236 R CA -0.536 55.573 56.100 0.014 0.000 0.936 236 R CB 0.506 30.813 30.300 0.011 0.000 1.006 236 R HN 0.369 nan 8.270 nan 0.000 0.452 237 I N 4.846 125.430 120.570 0.022 0.000 2.947 237 I HA 0.560 4.730 4.170 0.000 0.000 0.314 237 I C -2.211 173.923 176.117 0.028 0.000 1.028 237 I CA -3.495 57.821 61.300 0.026 0.000 1.077 237 I CB 0.981 38.999 38.000 0.029 0.000 1.274 237 I HN 0.336 nan 8.210 nan 0.000 0.485 238 P HA 0.591 nan 4.420 nan 0.000 0.294 238 P C -1.151 176.179 177.300 0.050 0.000 1.325 238 P CA -0.503 62.617 63.100 0.032 0.000 0.978 238 P CB 1.685 33.395 31.700 0.017 0.000 1.288 239 I N 0.612 121.226 120.570 0.072 0.000 2.466 239 I HA 0.263 4.433 4.170 0.000 0.000 0.279 239 I C -0.026 176.181 176.117 0.149 0.000 1.033 239 I CA -0.379 61.003 61.300 0.138 0.000 1.123 239 I CB 1.309 39.415 38.000 0.177 0.000 1.237 239 I HN 0.198 nan 8.210 nan 0.000 0.460 240 S N 2.648 118.404 115.700 0.093 0.000 2.741 240 S HA 0.592 5.062 4.470 0.000 0.000 0.247 240 S C 0.312 174.964 174.600 0.087 0.000 1.050 240 S CA -0.655 57.501 58.200 -0.074 0.000 1.025 240 S CB 1.107 64.249 63.200 -0.097 0.000 0.897 240 S HN 0.813 nan 8.310 nan 0.000 0.508 241 G N 1.257 110.274 108.800 0.362 0.000 2.732 241 G HA2 0.637 4.598 3.960 0.000 0.000 0.296 241 G HA3 0.637 4.598 3.960 0.000 0.000 0.296 241 G C -1.381 173.624 174.900 0.175 0.000 1.448 241 G CA -0.770 44.496 45.100 0.276 0.000 0.911 241 G HN 0.250 nan 8.290 nan 0.000 0.528 242 I N -0.245 120.353 120.570 0.047 0.000 3.074 242 I HA 0.907 5.077 4.170 0.000 0.000 0.310 242 I C -0.026 176.029 176.117 -0.104 0.000 1.153 242 I CA -1.284 59.965 61.300 -0.084 0.000 0.993 242 I CB 2.118 39.986 38.000 -0.220 0.000 1.237 242 I HN 1.135 nan 8.210 nan 0.000 0.443 243 A N 1.555 124.310 122.820 -0.109 0.000 2.549 243 A HA 0.606 4.926 4.320 0.000 0.000 0.297 243 A C -0.753 176.769 177.584 -0.102 0.000 0.983 243 A CA -0.171 51.794 52.037 -0.119 0.000 0.654 243 A CB 0.484 19.411 19.000 -0.121 0.000 1.319 243 A HN 1.043 nan 8.150 nan 0.000 0.428 244 G N 0.233 108.964 108.800 -0.115 0.000 2.476 244 G HA2 0.441 4.402 3.960 0.000 0.000 0.269 244 G HA3 0.441 4.402 3.960 0.000 0.000 0.269 244 G C 0.605 175.437 174.900 -0.113 0.000 1.195 244 G CA 0.530 45.559 45.100 -0.119 0.000 0.843 244 G HN 1.132 nan 8.290 nan 0.000 0.545 245 D N 1.398 121.733 120.400 -0.108 0.000 2.204 245 D HA -0.299 4.342 4.640 0.000 0.000 0.189 245 D C 1.839 178.075 176.300 -0.107 0.000 1.006 245 D CA 1.736 55.683 54.000 -0.089 0.000 0.855 245 D CB -0.514 40.241 40.800 -0.075 0.000 0.946 245 D HN 0.391 nan 8.370 nan 0.000 0.448 246 Q N 0.175 119.864 119.800 -0.186 0.000 2.061 246 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 246 Q C 2.431 178.394 176.000 -0.061 0.000 0.984 246 Q CA 1.946 57.670 55.803 -0.132 0.000 0.846 246 Q CB -0.344 28.272 28.738 -0.203 0.000 0.902 246 Q HN 0.556 nan 8.270 nan 0.000 0.421 247 Q N -0.932 118.822 119.800 -0.078 0.000 2.124 247 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 247 Q C 1.974 177.950 176.000 -0.040 0.000 0.977 247 Q CA 1.258 57.027 55.803 -0.057 0.000 0.850 247 Q CB -0.276 28.410 28.738 -0.088 0.000 0.901 247 Q HN 0.453 nan 8.270 nan 0.000 0.429 248 A N 1.321 124.109 122.820 -0.053 0.000 1.869 248 A HA -0.252 4.068 4.320 0.000 0.000 0.218 248 A C 2.268 179.855 177.584 0.004 0.000 1.203 248 A CA 1.953 53.972 52.037 -0.028 0.000 0.638 248 A CB -1.224 17.752 19.000 -0.040 0.000 0.831 248 A HN 0.437 nan 8.150 nan 0.000 0.450 249 A N -1.394 121.420 122.820 -0.010 0.000 2.225 249 A HA 0.082 4.402 4.320 0.000 0.000 0.215 249 A C 1.939 179.537 177.584 0.024 0.000 1.164 249 A CA 1.507 53.542 52.037 -0.002 0.000 0.710 249 A CB -0.505 18.503 19.000 0.013 0.000 0.780 249 A HN 0.603 nan 8.150 nan 0.000 0.473 250 L N -1.961 119.292 121.223 0.050 0.000 2.072 250 L HA 0.048 4.388 4.340 0.000 0.000 0.205 250 L C 2.033 178.975 176.870 0.120 0.000 1.079 250 L CA 1.711 56.594 54.840 0.073 0.000 0.752 250 L CB -0.872 41.224 42.059 0.062 0.000 0.906 250 L HN 0.389 nan 8.230 nan 0.000 0.436 251 F N 0.603 120.505 119.950 -0.081 0.000 2.084 251 F HA 0.018 4.545 4.527 0.000 0.000 0.296 251 F C 2.253 177.957 175.800 -0.159 0.000 1.111 251 F CA 1.517 59.457 58.000 -0.099 0.000 1.224 251 F CB -1.009 37.919 39.000 -0.119 0.000 0.991 251 F HN 0.147 nan 8.300 nan 0.000 0.471 252 G N -1.408 107.289 108.800 -0.172 0.000 2.882 252 G HA2 -0.151 3.809 3.960 0.000 0.000 0.206 252 G HA3 -0.151 3.809 3.960 0.000 0.000 0.206 252 G C 1.258 176.025 174.900 -0.222 0.000 1.155 252 G CA 0.666 45.504 45.100 -0.437 0.000 0.800 252 G HN 0.467 nan 8.290 nan 0.000 0.524 253 Q N -1.179 118.552 119.800 -0.116 0.000 2.185 253 Q HA 0.339 4.679 4.340 0.000 0.000 0.234 253 Q C 0.981 176.954 176.000 -0.045 0.000 0.819 253 Q CA -0.290 55.485 55.803 -0.046 0.000 0.961 253 Q CB 0.302 29.038 28.738 -0.003 0.000 1.140 253 Q HN 0.035 nan 8.270 nan 0.000 0.492 254 L N -0.325 120.841 121.223 -0.095 0.000 4.291 254 L HA -0.223 4.118 4.340 0.000 0.000 0.413 254 L C -0.759 176.104 176.870 -0.011 0.000 1.162 254 L CA 0.403 55.177 54.840 -0.110 0.000 0.961 254 L CB -2.671 39.332 42.059 -0.094 0.000 2.095 254 L HN 0.365 nan 8.230 nan 0.000 0.838 255 C N 0.512 119.834 119.300 0.036 0.000 2.612 255 C HA 0.340 4.800 4.460 0.000 0.000 0.403 255 C C 1.576 176.619 174.990 0.088 0.000 1.056 255 C CA -0.035 59.016 59.018 0.054 0.000 1.256 255 C CB -1.176 26.595 27.740 0.052 0.000 1.741 255 C HN 0.265 nan 8.230 nan 0.000 0.542 256 V N 4.469 124.429 119.914 0.077 0.000 2.759 256 V HA 0.258 4.378 4.120 0.000 0.000 0.342 256 V C -0.016 176.124 176.094 0.077 0.000 1.228 256 V CA 0.050 62.417 62.300 0.112 0.000 1.302 256 V CB -0.825 31.090 31.823 0.153 0.000 1.496 256 V HN 0.934 nan 8.190 nan 0.000 0.628 257 K N -0.959 119.477 120.400 0.060 0.000 2.639 257 K HA 0.375 4.695 4.320 0.000 0.000 0.279 257 K C -0.879 175.748 176.600 0.044 0.000 0.976 257 K CA -1.001 55.316 56.287 0.049 0.000 0.861 257 K CB 1.454 33.980 32.500 0.043 0.000 1.436 257 K HN -0.018 nan 8.250 nan 0.000 0.400 258 E N 0.620 120.846 120.200 0.043 0.000 3.379 258 E HA -0.165 4.185 4.350 0.000 0.000 0.257 258 E C 0.816 177.437 176.600 0.034 0.000 0.882 258 E CA 2.179 58.603 56.400 0.041 0.000 0.962 258 E CB -0.228 29.495 29.700 0.039 0.000 0.900 258 E HN 0.916 nan 8.360 nan 0.000 0.560 259 G N 3.238 112.057 108.800 0.031 0.000 2.176 259 G HA2 -0.253 3.707 3.960 0.000 0.000 0.232 259 G HA3 -0.253 3.707 3.960 0.000 0.000 0.232 259 G C 0.327 175.238 174.900 0.019 0.000 0.986 259 G CA -0.070 45.042 45.100 0.020 0.000 0.643 259 G HN 0.431 nan 8.290 nan 0.000 0.522 260 M N 1.009 120.627 119.600 0.029 0.000 2.184 260 M HA 0.588 5.068 4.480 0.000 0.000 0.351 260 M C 0.248 176.566 176.300 0.029 0.000 1.395 260 M CA 0.561 55.879 55.300 0.030 0.000 1.117 260 M CB 0.899 33.522 32.600 0.038 0.000 1.708 260 M HN 0.853 nan 8.290 nan 0.000 0.468 261 A N 4.070 126.903 122.820 0.023 0.000 2.408 261 A HA 0.686 5.006 4.320 0.000 0.000 0.295 261 A C -0.722 176.878 177.584 0.026 0.000 1.040 261 A CA -0.994 51.057 52.037 0.024 0.000 0.707 261 A CB 1.387 20.395 19.000 0.013 0.000 1.235 261 A HN 0.798 nan 8.150 nan 0.000 0.418 262 K N 0.999 121.419 120.400 0.034 0.000 2.123 262 K HA 0.706 5.026 4.320 0.000 0.000 0.248 262 K C -0.609 176.008 176.600 0.029 0.000 0.969 262 K CA -0.533 55.779 56.287 0.040 0.000 0.882 262 K CB 1.017 33.546 32.500 0.048 0.000 1.080 262 K HN 0.345 nan 8.250 nan 0.000 0.441 263 N N 0.555 119.277 118.700 0.035 0.000 2.483 263 N HA 0.275 5.016 4.740 0.000 0.000 0.267 263 N C -1.429 174.064 175.510 -0.028 0.000 0.998 263 N CA -0.338 52.685 53.050 -0.044 0.000 0.918 263 N CB 1.568 39.981 38.487 -0.124 0.000 1.215 263 N HN 0.698 nan 8.380 nan 0.000 0.500 264 T N 2.730 117.254 114.554 -0.050 0.000 2.904 264 T HA 0.259 4.609 4.350 0.000 0.000 0.290 264 T C -0.755 173.833 174.700 -0.186 0.000 1.018 264 T CA 0.453 62.570 62.100 0.028 0.000 1.075 264 T CB 0.257 69.196 68.868 0.119 0.000 0.986 264 T HN 0.303 nan 8.240 nan 0.000 0.523 265 Y N 1.309 121.639 120.300 0.049 0.000 2.705 265 Y HA 0.515 5.065 4.550 0.000 0.000 0.355 265 Y C 0.666 176.600 175.900 0.057 0.000 1.039 265 Y CA -0.759 57.356 58.100 0.024 0.000 1.233 265 Y CB 1.000 39.456 38.460 -0.006 0.000 1.103 265 Y HN 0.830 nan 8.280 nan 0.000 0.624 266 G N -0.175 108.743 108.800 0.197 0.000 3.364 266 G HA2 0.082 4.043 3.960 0.000 0.000 0.191 266 G HA3 0.082 4.043 3.960 0.000 0.000 0.191 266 G C 0.912 175.924 174.900 0.186 0.000 1.352 266 G CA 0.000 45.217 45.100 0.194 0.000 0.758 266 G HN 0.191 nan 8.290 nan 0.000 0.730 267 T N 0.432 115.130 114.554 0.240 0.000 2.746 267 T HA 0.177 4.527 4.350 0.000 0.000 0.267 267 T C 1.123 175.963 174.700 0.233 0.000 1.039 267 T CA 1.690 63.939 62.100 0.249 0.000 1.142 267 T CB -0.381 68.682 68.868 0.326 0.000 0.866 267 T HN 0.652 nan 8.240 nan 0.000 0.444 268 G N -1.331 107.628 108.800 0.265 0.000 3.140 268 G HA2 0.505 4.465 3.960 0.000 0.000 0.271 268 G HA3 0.505 4.465 3.960 0.000 0.000 0.271 268 G C -1.382 173.269 174.900 -0.415 0.000 1.370 268 G CA -0.505 44.585 45.100 -0.016 0.000 1.014 268 G HN 0.317 nan 8.290 nan 0.000 0.541 269 C N -0.435 118.302 119.300 -0.938 0.000 2.379 269 C HA 0.734 5.194 4.460 0.000 0.000 0.323 269 C C -1.324 172.957 174.990 -1.182 0.000 1.262 269 C CA -0.471 58.037 59.018 -0.850 0.000 1.581 269 C CB -0.262 27.136 27.740 -0.571 0.000 2.221 269 C HN 0.457 nan 8.230 nan 0.000 0.497 270 F N 3.402 123.268 119.950 -0.139 0.000 2.959 270 F HA 0.338 4.866 4.527 0.001 0.000 0.379 270 F C 0.149 175.902 175.800 -0.078 0.000 1.215 270 F CA -0.485 57.471 58.000 -0.073 0.000 1.190 270 F CB 0.638 39.614 39.000 -0.040 0.000 1.574 270 F HN 0.501 nan 8.300 nan 0.000 0.575 271 M N 4.464 124.075 119.600 0.018 0.000 2.156 271 M HA 0.492 4.973 4.480 0.000 0.000 0.345 271 M C -1.699 174.640 176.300 0.065 0.000 1.398 271 M CA -0.097 55.206 55.300 0.005 0.000 1.148 271 M CB 0.345 32.915 32.600 -0.050 0.000 1.663 271 M HN 0.389 nan 8.290 nan 0.000 0.464 272 L N 5.370 126.634 121.223 0.069 0.000 2.304 272 L HA 0.721 5.061 4.340 0.000 0.000 0.268 272 L C -0.373 176.529 176.870 0.053 0.000 1.010 272 L CA -0.442 54.442 54.840 0.074 0.000 0.813 272 L CB 1.865 43.968 42.059 0.074 0.000 1.315 272 L HN 0.792 nan 8.230 nan 0.000 0.445 273 M N 1.926 121.560 119.600 0.056 0.000 2.284 273 M HA 0.286 4.766 4.480 0.000 0.000 0.281 273 M C -1.492 174.840 176.300 0.053 0.000 1.083 273 M CA -0.579 54.749 55.300 0.047 0.000 0.965 273 M CB 1.791 34.413 32.600 0.037 0.000 1.717 273 M HN 0.666 nan 8.290 nan 0.000 0.479 274 N N 1.736 120.466 118.700 0.050 0.000 2.452 274 N HA 0.200 4.941 4.740 0.000 0.000 0.266 274 N C 0.885 176.431 175.510 0.060 0.000 1.175 274 N CA 0.646 53.729 53.050 0.055 0.000 0.945 274 N CB 0.984 39.502 38.487 0.053 0.000 1.063 274 N HN 0.683 nan 8.380 nan 0.000 0.472 275 T N 0.250 114.853 114.554 0.082 0.000 2.969 275 T HA 0.384 4.734 4.350 0.000 0.000 0.250 275 T C 1.148 175.914 174.700 0.111 0.000 1.021 275 T CA 0.405 62.563 62.100 0.097 0.000 1.003 275 T CB -0.243 68.695 68.868 0.115 0.000 1.040 275 T HN 0.625 nan 8.240 nan 0.000 0.492 276 G N 1.866 110.722 108.800 0.092 0.000 2.527 276 G HA2 -0.303 3.658 3.960 0.000 0.000 0.262 276 G HA3 -0.303 3.658 3.960 0.000 0.000 0.262 276 G C 0.643 175.584 174.900 0.068 0.000 1.153 276 G CA 0.342 45.473 45.100 0.051 0.000 0.954 276 G HN 0.317 nan 8.290 nan 0.000 0.552 277 E N 1.639 121.895 120.200 0.093 0.000 2.046 277 E HA -0.027 4.323 4.350 0.000 0.000 0.190 277 E C 1.628 178.419 176.600 0.318 0.000 0.982 277 E CA 1.610 58.085 56.400 0.125 0.000 0.800 277 E CB -0.185 29.561 29.700 0.076 0.000 0.756 277 E HN 0.705 nan 8.360 nan 0.000 0.449 278 K N 0.032 120.565 120.400 0.222 0.000 2.138 278 K HA 0.428 4.748 4.320 0.000 0.000 0.251 278 K C -0.550 176.121 176.600 0.118 0.000 1.015 278 K CA -0.174 56.194 56.287 0.134 0.000 0.917 278 K CB 1.128 33.664 32.500 0.060 0.000 1.021 278 K HN -0.098 nan 8.250 nan 0.000 0.485 279 A N 2.220 124.892 122.820 -0.247 0.000 2.545 279 A HA 0.397 4.717 4.320 0.000 0.000 0.300 279 A C -0.503 176.914 177.584 -0.279 0.000 1.252 279 A CA -0.985 50.737 52.037 -0.525 0.000 0.753 279 A CB 0.294 18.253 19.000 -1.736 0.000 1.144 279 A HN 0.498 nan 8.150 nan 0.000 0.457 280 V N 1.528 121.373 119.914 -0.115 0.000 3.388 280 V HA 0.083 4.203 4.120 0.000 0.000 0.301 280 V C 0.585 176.628 176.094 -0.085 0.000 1.160 280 V CA 0.779 63.037 62.300 -0.070 0.000 1.277 280 V CB 0.204 32.016 31.823 -0.020 0.000 1.018 280 V HN 0.980 nan 8.190 nan 0.000 0.504 281 K N 1.189 121.558 120.400 -0.052 0.000 2.376 281 K HA 0.554 4.875 4.320 0.000 0.000 0.257 281 K C -0.444 176.145 176.600 -0.019 0.000 0.939 281 K CA -0.286 55.974 56.287 -0.044 0.000 0.809 281 K CB 1.744 34.219 32.500 -0.042 0.000 1.121 281 K HN 0.496 nan 8.250 nan 0.000 0.425 282 S N 2.441 118.135 115.700 -0.010 0.000 2.525 282 S HA 0.014 4.484 4.470 0.000 0.000 0.285 282 S C 0.258 174.864 174.600 0.010 0.000 1.283 282 S CA -0.248 57.960 58.200 0.013 0.000 1.072 282 S CB 0.259 63.480 63.200 0.036 0.000 0.867 282 S HN 0.678 nan 8.310 nan 0.000 0.492 283 E N 3.860 124.070 120.200 0.017 0.000 2.452 283 E HA 0.086 4.436 4.350 0.000 0.000 0.197 283 E C -0.120 176.495 176.600 0.027 0.000 1.022 283 E CA 0.303 56.713 56.400 0.016 0.000 0.890 283 E CB 0.038 29.745 29.700 0.012 0.000 0.918 283 E HN 0.757 nan 8.360 nan 0.000 0.496 284 N N -0.308 118.416 118.700 0.039 0.000 2.553 284 N HA 0.267 5.007 4.740 0.000 0.000 0.298 284 N C 0.218 175.781 175.510 0.088 0.000 1.596 284 N CA 0.305 53.383 53.050 0.047 0.000 0.910 284 N CB 1.560 40.066 38.487 0.032 0.000 1.336 284 N HN 0.054 nan 8.380 nan 0.000 0.497 285 G N 0.336 109.207 108.800 0.119 0.000 2.160 285 G HA2 -0.263 3.697 3.960 0.000 0.000 0.244 285 G HA3 -0.263 3.697 3.960 0.000 0.000 0.244 285 G C -0.184 174.964 174.900 0.413 0.000 1.022 285 G CA 0.147 45.404 45.100 0.261 0.000 0.741 285 G HN 0.284 nan 8.290 nan 0.000 0.508 286 L N -0.933 120.431 121.223 0.236 0.000 2.335 286 L HA 0.821 5.161 4.340 0.000 0.000 0.268 286 L C 0.823 177.810 176.870 0.195 0.000 1.016 286 L CA -1.449 53.546 54.840 0.258 0.000 0.805 286 L CB 1.231 43.386 42.059 0.160 0.000 1.311 286 L HN 0.010 nan 8.230 nan 0.000 0.456 287 L N -0.377 120.974 121.223 0.213 0.000 2.334 287 L HA 0.533 4.873 4.340 0.000 0.000 0.273 287 L C -0.563 176.358 176.870 0.084 0.000 1.013 287 L CA -0.571 54.349 54.840 0.134 0.000 0.816 287 L CB 1.747 43.920 42.059 0.189 0.000 1.278 287 L HN 0.489 nan 8.230 nan 0.000 0.431 288 T N 0.869 115.437 114.554 0.023 0.000 2.753 288 T HA 0.440 4.790 4.350 0.000 0.000 0.297 288 T C -0.018 174.696 174.700 0.022 0.000 0.981 288 T CA -0.135 61.965 62.100 0.001 0.000 0.956 288 T CB 1.217 70.042 68.868 -0.071 0.000 0.936 288 T HN 0.685 nan 8.240 nan 0.000 0.463 289 T N 2.478 117.084 114.554 0.087 0.000 2.812 289 T HA 0.607 4.957 4.350 0.000 0.000 0.294 289 T C -0.683 174.124 174.700 0.179 0.000 1.159 289 T CA -0.699 61.463 62.100 0.103 0.000 1.008 289 T CB 0.991 69.890 68.868 0.052 0.000 1.289 289 T HN 0.465 nan 8.240 nan 0.000 0.514 290 I N 2.667 123.297 120.570 0.100 0.000 2.452 290 I HA 0.496 4.666 4.170 0.000 0.000 0.287 290 I C 0.570 176.646 176.117 -0.069 0.000 1.079 290 I CA 0.135 61.435 61.300 0.000 0.000 1.387 290 I CB 0.593 38.594 38.000 0.002 0.000 1.404 290 I HN 0.739 nan 8.210 nan 0.000 0.522 291 A N 6.126 128.859 122.820 -0.145 0.000 2.347 291 A HA 0.650 4.970 4.320 0.000 0.000 0.301 291 A C -1.119 176.358 177.584 -0.178 0.000 1.163 291 A CA -0.477 51.486 52.037 -0.124 0.000 0.860 291 A CB 1.154 20.112 19.000 -0.070 0.000 1.367 291 A HN 0.683 nan 8.150 nan 0.000 0.461 292 C N 0.350 119.529 119.300 -0.203 0.000 2.295 292 C HA 0.688 5.149 4.460 0.000 0.000 0.331 292 C C 1.140 176.005 174.990 -0.209 0.000 1.280 292 C CA -0.180 58.645 59.018 -0.320 0.000 1.746 292 C CB 0.139 27.472 27.740 -0.678 0.000 2.328 292 C HN 0.986 nan 8.230 nan 0.000 0.521 293 G N 3.810 112.523 108.800 -0.145 0.000 2.537 293 G HA2 0.392 4.352 3.960 0.000 0.000 0.273 293 G HA3 0.392 4.352 3.960 0.000 0.000 0.273 293 G C -1.546 173.417 174.900 0.105 0.000 1.189 293 G CA -0.741 44.351 45.100 -0.013 0.000 0.881 293 G HN 0.495 nan 8.290 nan 0.000 0.535 294 P HA -0.117 nan 4.420 nan 0.000 0.223 294 P C 1.472 178.926 177.300 0.258 0.000 1.140 294 P CA 1.869 65.135 63.100 0.276 0.000 0.783 294 P CB 0.210 31.999 31.700 0.148 0.000 0.759 295 T N -5.143 109.500 114.554 0.150 0.000 3.132 295 T HA 0.437 4.788 4.350 0.000 0.000 0.274 295 T C 1.167 175.910 174.700 0.072 0.000 1.011 295 T CA 0.308 62.483 62.100 0.125 0.000 0.899 295 T CB -0.724 68.190 68.868 0.077 0.000 1.089 295 T HN 0.204 nan 8.240 nan 0.000 0.543 296 G N 2.070 110.855 108.800 -0.026 0.000 2.137 296 G HA2 -0.182 3.778 3.960 0.000 0.000 0.237 296 G HA3 -0.182 3.778 3.960 0.000 0.000 0.237 296 G C -0.327 174.509 174.900 -0.107 0.000 1.002 296 G CA 0.170 45.174 45.100 -0.159 0.000 0.702 296 G HN 0.955 nan 8.290 nan 0.000 0.515 297 E N 0.886 121.042 120.200 -0.074 0.000 2.183 297 E HA 0.564 4.915 4.350 0.000 0.000 0.271 297 E C 0.465 177.017 176.600 -0.080 0.000 0.919 297 E CA -0.868 55.506 56.400 -0.042 0.000 0.781 297 E CB 1.874 31.570 29.700 -0.008 0.000 1.140 297 E HN 0.451 nan 8.360 nan 0.000 0.402 298 V N 3.980 123.853 119.914 -0.068 0.000 2.923 298 V HA -0.184 3.936 4.120 0.000 0.000 0.286 298 V C 0.139 176.066 176.094 -0.278 0.000 1.376 298 V CA 1.111 63.317 62.300 -0.158 0.000 1.423 298 V CB -0.772 30.963 31.823 -0.146 0.000 0.865 298 V HN 0.722 nan 8.190 nan 0.000 0.514 299 N N 2.007 120.466 118.700 -0.402 0.000 2.902 299 N HA 0.670 5.410 4.740 0.000 0.000 0.268 299 N C -1.507 173.574 175.510 -0.715 0.000 1.450 299 N CA -0.671 52.115 53.050 -0.438 0.000 0.819 299 N CB 1.380 39.761 38.487 -0.177 0.000 1.540 299 N HN 0.471 nan 8.380 nan 0.000 0.545 300 Y N -0.360 119.927 120.300 -0.020 0.000 2.536 300 Y HA 0.825 5.376 4.550 0.000 0.000 0.347 300 Y C -0.166 175.726 175.900 -0.014 0.000 1.000 300 Y CA -0.994 57.088 58.100 -0.031 0.000 1.051 300 Y CB 1.916 40.346 38.460 -0.051 0.000 1.259 300 Y HN 0.569 nan 8.280 nan 0.000 0.468 301 A N 1.687 124.626 122.820 0.199 0.000 2.498 301 A HA 0.732 5.052 4.320 0.000 0.000 0.298 301 A C -1.830 175.817 177.584 0.104 0.000 1.075 301 A CA -0.804 51.303 52.037 0.117 0.000 0.714 301 A CB 1.373 20.418 19.000 0.075 0.000 1.299 301 A HN 0.749 nan 8.150 nan 0.000 0.407 302 L N 2.100 123.373 121.223 0.084 0.000 2.315 302 L HA 0.319 4.659 4.340 0.000 0.000 0.278 302 L C 0.171 177.098 176.870 0.095 0.000 1.088 302 L CA 0.077 54.964 54.840 0.078 0.000 0.899 302 L CB 0.530 42.625 42.059 0.059 0.000 1.277 302 L HN 0.898 nan 8.230 nan 0.000 0.431 303 E N 2.682 122.958 120.200 0.127 0.000 2.134 303 E HA 0.435 4.785 4.350 0.000 0.000 0.278 303 E C -0.127 176.604 176.600 0.218 0.000 0.959 303 E CA -0.629 55.870 56.400 0.166 0.000 0.783 303 E CB 1.594 31.409 29.700 0.192 0.000 1.095 303 E HN 0.576 nan 8.360 nan 0.000 0.399 304 G N 2.628 111.533 108.800 0.174 0.000 2.356 304 G HA2 0.554 4.514 3.960 0.000 0.000 0.298 304 G HA3 0.554 4.514 3.960 0.000 0.000 0.298 304 G C -0.912 174.097 174.900 0.181 0.000 1.145 304 G CA -0.359 44.836 45.100 0.158 0.000 0.850 304 G HN 0.553 nan 8.290 nan 0.000 0.487 305 A N 2.160 125.083 122.820 0.173 0.000 2.332 305 A HA 0.648 4.968 4.320 0.000 0.000 0.300 305 A C -0.611 176.853 177.584 -0.200 0.000 1.153 305 A CA -0.473 51.679 52.037 0.192 0.000 0.764 305 A CB 1.673 21.093 19.000 0.702 0.000 1.174 305 A HN 0.768 nan 8.150 nan 0.000 0.467 306 V N 3.861 123.510 119.914 -0.441 0.000 2.427 306 V HA 0.275 4.395 4.120 0.000 0.000 0.286 306 V C 0.560 176.551 176.094 -0.172 0.000 1.034 306 V CA -0.210 61.855 62.300 -0.392 0.000 0.893 306 V CB 0.918 32.518 31.823 -0.372 0.000 0.982 306 V HN 0.892 nan 8.190 nan 0.000 0.452 307 F N 2.409 122.243 119.950 -0.193 0.000 2.149 307 F HA 0.217 4.744 4.527 0.001 0.000 0.294 307 F C 1.040 176.834 175.800 -0.010 0.000 1.095 307 F CA 0.814 58.802 58.000 -0.020 0.000 1.276 307 F CB -0.113 38.852 39.000 -0.059 0.000 1.023 307 F HN 0.256 nan 8.300 nan 0.000 0.480 308 M N -0.851 118.800 119.600 0.086 0.000 2.227 308 M HA 0.527 5.007 4.480 0.000 0.000 0.335 308 M C 0.326 176.590 176.300 -0.059 0.000 1.053 308 M CA -0.160 55.120 55.300 -0.032 0.000 0.973 308 M CB 1.472 33.942 32.600 -0.216 0.000 1.623 308 M HN 0.126 nan 8.290 nan 0.000 0.434 309 A N 2.634 125.441 122.820 -0.022 0.000 1.677 309 A HA 0.501 4.822 4.320 0.000 0.000 0.149 309 A C 1.421 179.030 177.584 0.042 0.000 1.624 309 A CA 0.602 52.636 52.037 -0.004 0.000 1.596 309 A CB -0.903 18.081 19.000 -0.026 0.000 1.396 309 A HN 0.753 nan 8.150 nan 0.000 1.088 310 G N 0.318 109.169 108.800 0.084 0.000 2.402 310 G HA2 0.121 4.081 3.960 0.000 0.000 0.216 310 G HA3 0.121 4.081 3.960 0.000 0.000 0.216 310 G C 1.692 176.645 174.900 0.089 0.000 1.162 310 G CA 1.851 47.008 45.100 0.095 0.000 0.777 310 G HN 1.247 nan 8.290 nan 0.000 0.539 311 A N 1.511 124.384 122.820 0.089 0.000 1.954 311 A HA -0.238 4.082 4.320 0.000 0.000 0.222 311 A C 2.715 180.348 177.584 0.082 0.000 1.199 311 A CA 3.025 55.116 52.037 0.091 0.000 0.657 311 A CB -0.990 18.051 19.000 0.068 0.000 0.823 311 A HN 0.624 nan 8.150 nan 0.000 0.463 312 S N -0.305 115.391 115.700 -0.008 0.000 2.383 312 S HA -0.168 4.302 4.470 0.000 0.000 0.229 312 S C 1.682 176.400 174.600 0.195 0.000 1.030 312 S CA 1.606 59.797 58.200 -0.015 0.000 1.002 312 S CB -0.537 62.589 63.200 -0.123 0.000 0.829 312 S HN 0.392 nan 8.310 nan 0.000 0.467 313 I N 2.786 123.436 120.570 0.133 0.000 2.233 313 I HA -0.149 4.022 4.170 0.000 0.000 0.243 313 I C 2.750 178.950 176.117 0.138 0.000 1.093 313 I CA 1.101 62.477 61.300 0.126 0.000 1.380 313 I CB -0.751 37.301 38.000 0.087 0.000 1.067 313 I HN 0.315 nan 8.210 nan 0.000 0.413 314 Q N -0.786 119.102 119.800 0.148 0.000 2.062 314 Q HA -0.319 4.021 4.340 0.000 0.000 0.209 314 Q C 2.202 178.305 176.000 0.172 0.000 0.996 314 Q CA 2.297 58.186 55.803 0.143 0.000 0.859 314 Q CB -1.163 27.662 28.738 0.146 0.000 0.920 314 Q HN 0.606 nan 8.270 nan 0.000 0.415 315 W N 2.179 123.525 121.300 0.077 0.000 2.280 315 W HA -0.283 4.377 4.660 0.000 0.000 0.332 315 W C 2.038 178.603 176.519 0.076 0.000 1.300 315 W CA 1.870 59.280 57.345 0.108 0.000 1.274 315 W CB -0.699 28.863 29.460 0.171 0.000 1.141 315 W HN 0.097 nan 8.180 nan 0.000 0.474 316 L N 0.018 121.255 121.223 0.024 0.000 2.013 316 L HA -0.295 4.046 4.340 0.000 0.000 0.212 316 L C 2.812 179.559 176.870 -0.206 0.000 1.073 316 L CA 2.345 57.084 54.840 -0.169 0.000 0.753 316 L CB -0.855 41.225 42.059 0.034 0.000 0.890 316 L HN 0.173 nan 8.230 nan 0.000 0.432 317 R N -0.164 120.287 120.500 -0.083 0.000 2.060 317 R HA -0.134 4.206 4.340 0.000 0.000 0.225 317 R C 1.934 178.183 176.300 -0.086 0.000 1.155 317 R CA 1.799 57.860 56.100 -0.066 0.000 0.930 317 R CB -0.271 30.030 30.300 0.002 0.000 0.829 317 R HN 0.248 nan 8.270 nan 0.000 0.433 318 D N -0.007 120.369 120.400 -0.041 0.000 2.084 318 D HA -0.122 4.518 4.640 0.000 0.000 0.196 318 D C 1.894 178.145 176.300 -0.081 0.000 0.985 318 D CA 1.417 55.398 54.000 -0.031 0.000 0.826 318 D CB -0.129 40.692 40.800 0.035 0.000 0.978 318 D HN 0.338 nan 8.370 nan 0.000 0.456 319 E N -0.444 119.668 120.200 -0.146 0.000 2.057 319 E HA 0.035 4.386 4.350 0.000 0.000 0.190 319 E C 2.116 178.509 176.600 -0.345 0.000 0.969 319 E CA 0.435 56.724 56.400 -0.185 0.000 0.812 319 E CB 0.051 29.711 29.700 -0.066 0.000 0.777 319 E HN 0.009 nan 8.360 nan 0.000 0.455 320 M N 0.171 119.369 119.600 -0.670 0.000 2.156 320 M HA -0.013 4.467 4.480 0.000 0.000 0.264 320 M C 0.420 176.513 176.300 -0.345 0.000 1.067 320 M CA 1.225 56.159 55.300 -0.609 0.000 1.131 320 M CB -0.503 31.547 32.600 -0.916 0.000 1.368 320 M HN -0.020 nan 8.290 nan 0.000 0.416 321 K N -0.399 119.825 120.400 -0.293 0.000 3.299 321 K HA -0.130 4.190 4.320 0.000 0.000 0.284 321 K C 0.452 176.938 176.600 -0.190 0.000 1.235 321 K CA -0.002 56.172 56.287 -0.188 0.000 0.833 321 K CB -2.119 30.297 32.500 -0.142 0.000 1.330 321 K HN 0.288 nan 8.250 nan 0.000 0.510 322 L N 0.619 121.703 121.223 -0.232 0.000 2.599 322 L HA 0.199 4.540 4.340 0.000 0.000 0.230 322 L C 1.107 177.792 176.870 -0.309 0.000 1.141 322 L CA 0.635 55.322 54.840 -0.255 0.000 0.877 322 L CB -0.711 41.191 42.059 -0.262 0.000 1.009 322 L HN 0.331 nan 8.230 nan 0.000 0.447 323 I N -4.989 115.453 120.570 -0.213 0.000 3.066 323 I HA 0.295 4.465 4.170 0.000 0.000 0.307 323 I C -0.318 175.774 176.117 -0.041 0.000 1.366 323 I CA -0.810 60.403 61.300 -0.145 0.000 0.972 323 I CB 1.884 39.833 38.000 -0.084 0.000 1.307 323 I HN -0.142 nan 8.210 nan 0.000 0.470 324 N N 0.353 119.076 118.700 0.038 0.000 2.273 324 N HA 0.171 4.912 4.740 0.000 0.000 0.192 324 N C -0.896 174.657 175.510 0.072 0.000 1.132 324 N CA 0.020 53.096 53.050 0.044 0.000 0.887 324 N CB 0.991 39.507 38.487 0.049 0.000 1.048 324 N HN 0.611 nan 8.380 nan 0.000 0.490 325 D N -0.429 120.042 120.400 0.118 0.000 2.863 325 D HA 0.458 5.098 4.640 0.000 0.000 0.245 325 D C 0.412 176.811 176.300 0.165 0.000 1.211 325 D CA -0.468 53.622 54.000 0.150 0.000 0.888 325 D CB 2.079 43.001 40.800 0.204 0.000 1.483 325 D HN 0.012 nan 8.370 nan 0.000 0.533 326 A N 2.763 125.668 122.820 0.142 0.000 1.927 326 A HA -0.290 4.030 4.320 0.000 0.000 0.220 326 A C 1.911 179.574 177.584 0.132 0.000 1.185 326 A CA 1.523 53.635 52.037 0.124 0.000 0.639 326 A CB -0.956 18.112 19.000 0.113 0.000 0.820 326 A HN 0.761 nan 8.150 nan 0.000 0.451 327 Y N 1.373 121.713 120.300 0.066 0.000 2.030 327 Y HA -0.340 4.211 4.550 0.001 0.000 0.272 327 Y C 1.955 177.911 175.900 0.093 0.000 1.185 327 Y CA 2.434 60.571 58.100 0.062 0.000 1.120 327 Y CB -0.482 38.002 38.460 0.040 0.000 0.955 327 Y HN 0.430 nan 8.280 nan 0.000 0.495 328 D N -0.453 120.055 120.400 0.181 0.000 2.239 328 D HA -0.228 4.412 4.640 0.000 0.000 0.202 328 D C 2.350 178.829 176.300 0.297 0.000 0.993 328 D CA 1.495 55.656 54.000 0.268 0.000 0.874 328 D CB -0.649 40.485 40.800 0.557 0.000 0.922 328 D HN 0.552 nan 8.370 nan 0.000 0.464 329 S N 0.798 116.589 115.700 0.150 0.000 2.369 329 S HA -0.331 4.139 4.470 0.000 0.000 0.225 329 S C 1.940 176.547 174.600 0.013 0.000 1.043 329 S CA 1.589 59.854 58.200 0.110 0.000 1.074 329 S CB -0.757 62.452 63.200 0.014 0.000 0.962 329 S HN 0.382 nan 8.310 nan 0.000 0.433 330 E N 0.416 120.540 120.200 -0.126 0.000 2.086 330 E HA -0.295 4.056 4.350 0.000 0.000 0.205 330 E C 1.935 178.428 176.600 -0.178 0.000 1.027 330 E CA 1.741 58.028 56.400 -0.188 0.000 0.830 330 E CB -0.432 29.142 29.700 -0.209 0.000 0.751 330 E HN 0.653 nan 8.360 nan 0.000 0.456 331 Y N 0.233 120.340 120.300 -0.322 0.000 2.053 331 Y HA -0.293 4.258 4.550 0.001 0.000 0.277 331 Y C 1.887 177.536 175.900 -0.419 0.000 1.159 331 Y CA 2.242 60.090 58.100 -0.420 0.000 1.125 331 Y CB -0.880 37.195 38.460 -0.642 0.000 0.969 331 Y HN 0.100 nan 8.280 nan 0.000 0.492 332 F N 0.003 119.781 119.950 -0.286 0.000 2.216 332 F HA -0.143 4.384 4.527 0.000 0.000 0.300 332 F C 2.585 178.120 175.800 -0.441 0.000 1.085 332 F CA 1.220 58.948 58.000 -0.455 0.000 1.326 332 F CB -1.143 37.711 39.000 -0.245 0.000 1.027 332 F HN 0.190 nan 8.300 nan 0.000 0.497 333 A N -0.047 122.620 122.820 -0.254 0.000 1.897 333 A HA -0.171 4.149 4.320 0.000 0.000 0.215 333 A C 2.294 179.578 177.584 -0.501 0.000 1.181 333 A CA 2.038 53.809 52.037 -0.444 0.000 0.620 333 A CB -1.406 17.207 19.000 -0.645 0.000 0.821 333 A HN 0.394 nan 8.150 nan 0.000 0.443 334 T N -2.658 111.618 114.554 -0.465 0.000 3.007 334 T HA -0.050 4.300 4.350 0.000 0.000 0.270 334 T C 1.633 176.167 174.700 -0.277 0.000 1.107 334 T CA 1.294 63.204 62.100 -0.316 0.000 1.118 334 T CB -0.272 68.467 68.868 -0.215 0.000 0.889 334 T HN 0.313 nan 8.240 nan 0.000 0.506 335 K N 1.269 121.436 120.400 -0.388 0.000 2.442 335 K HA 0.024 4.344 4.320 0.000 0.000 0.198 335 K C 0.806 177.261 176.600 -0.242 0.000 1.044 335 K CA 0.628 56.692 56.287 -0.372 0.000 0.948 335 K CB -0.319 31.886 32.500 -0.492 0.000 0.762 335 K HN 0.614 nan 8.250 nan 0.000 0.472 336 V N -2.136 117.645 119.914 -0.223 0.000 2.735 336 V HA 0.258 4.379 4.120 0.000 0.000 0.310 336 V C 0.882 176.935 176.094 -0.069 0.000 1.061 336 V CA -0.955 61.251 62.300 -0.156 0.000 0.913 336 V CB 2.056 33.738 31.823 -0.236 0.000 1.005 336 V HN -0.168 nan 8.190 nan 0.000 0.428 337 Q N 2.409 122.208 119.800 -0.002 0.000 2.226 337 Q HA -0.047 4.293 4.340 0.000 0.000 0.204 337 Q C 0.487 176.538 176.000 0.084 0.000 0.975 337 Q CA 2.091 57.920 55.803 0.044 0.000 0.866 337 Q CB -0.161 28.610 28.738 0.056 0.000 0.915 337 Q HN 1.103 nan 8.270 nan 0.000 0.440 338 N N -3.660 115.100 118.700 0.100 0.000 3.339 338 N HA -0.016 4.724 4.740 0.000 0.000 0.275 338 N C -0.290 175.333 175.510 0.188 0.000 1.514 338 N CA -0.017 53.114 53.050 0.135 0.000 0.879 338 N CB 0.296 38.865 38.487 0.136 0.000 1.557 338 N HN -0.221 nan 8.380 nan 0.000 0.524 339 T N -1.194 113.449 114.554 0.149 0.000 3.163 339 T HA 0.149 4.499 4.350 0.000 0.000 0.252 339 T C 0.234 174.960 174.700 0.043 0.000 1.056 339 T CA 0.219 62.404 62.100 0.142 0.000 0.947 339 T CB -1.316 67.578 68.868 0.042 0.000 1.016 339 T HN 0.638 nan 8.240 nan 0.000 0.554 340 N N 0.858 119.561 118.700 0.005 0.000 2.708 340 N HA -0.206 4.534 4.740 0.000 0.000 0.251 340 N C 0.979 176.452 175.510 -0.063 0.000 1.017 340 N CA 1.454 54.416 53.050 -0.147 0.000 0.742 340 N CB -1.552 36.538 38.487 -0.661 0.000 0.943 340 N HN 0.899 nan 8.380 nan 0.000 0.539 341 G N -3.000 105.830 108.800 0.050 0.000 2.189 341 G HA2 -0.321 3.640 3.960 0.000 0.000 0.267 341 G HA3 -0.321 3.640 3.960 0.000 0.000 0.267 341 G C 0.227 175.245 174.900 0.195 0.000 0.975 341 G CA 0.407 45.596 45.100 0.149 0.000 0.644 341 G HN 0.614 nan 8.290 nan 0.000 0.537 342 V N 0.246 120.220 119.914 0.100 0.000 2.686 342 V HA 0.557 4.677 4.120 0.000 0.000 0.295 342 V C 0.203 176.427 176.094 0.217 0.000 1.055 342 V CA -0.036 62.363 62.300 0.165 0.000 1.050 342 V CB 1.018 32.903 31.823 0.103 0.000 0.984 342 V HN 0.252 nan 8.190 nan 0.000 0.482 343 Y N 2.302 122.727 120.300 0.209 0.000 2.499 343 Y HA 0.682 5.232 4.550 0.001 0.000 0.347 343 Y C -0.123 175.963 175.900 0.311 0.000 0.987 343 Y CA -0.643 57.603 58.100 0.244 0.000 1.044 343 Y CB 2.350 40.896 38.460 0.143 0.000 1.245 343 Y HN 0.321 nan 8.280 nan 0.000 0.461 344 V N 3.302 123.497 119.914 0.469 0.000 2.709 344 V HA 0.583 4.703 4.120 0.000 0.000 0.308 344 V C -1.318 174.997 176.094 0.367 0.000 1.062 344 V CA -0.860 61.661 62.300 0.369 0.000 0.901 344 V CB 2.216 34.200 31.823 0.268 0.000 1.003 344 V HN 0.478 nan 8.190 nan 0.000 0.425 345 V N 6.660 126.745 119.914 0.286 0.000 2.380 345 V HA 0.337 4.457 4.120 0.000 0.000 0.286 345 V C -2.067 174.109 176.094 0.136 0.000 1.015 345 V CA -1.506 60.913 62.300 0.198 0.000 0.834 345 V CB 1.946 33.825 31.823 0.093 0.000 1.009 345 V HN 0.787 nan 8.190 nan 0.000 0.428 346 P HA 0.018 nan 4.420 nan 0.000 0.301 346 P C 0.502 177.723 177.300 -0.131 0.000 1.560 346 P CA 0.309 63.198 63.100 -0.352 0.000 0.784 346 P CB -0.182 31.291 31.700 -0.378 0.000 1.715 347 A N -0.123 122.800 122.820 0.173 0.000 3.037 347 A HA 0.207 4.527 4.320 0.000 0.000 0.272 347 A C 0.636 178.431 177.584 0.351 0.000 1.723 347 A CA -0.306 51.831 52.037 0.166 0.000 1.413 347 A CB -1.243 17.793 19.000 0.059 0.000 1.112 347 A HN 0.022 nan 8.150 nan 0.000 0.606 348 F N 0.485 120.347 119.950 -0.147 0.000 2.512 348 F HA 0.015 4.542 4.527 0.000 0.000 0.296 348 F C 2.035 177.742 175.800 -0.154 0.000 1.110 348 F CA 1.480 59.351 58.000 -0.214 0.000 1.446 348 F CB -0.312 38.499 39.000 -0.315 0.000 1.092 348 F HN 0.506 nan 8.300 nan 0.000 0.554 349 T N -2.011 112.619 114.554 0.126 0.000 3.293 349 T HA 0.578 4.929 4.350 0.000 0.000 0.276 349 T C 0.807 175.607 174.700 0.165 0.000 1.003 349 T CA 0.014 62.150 62.100 0.060 0.000 0.916 349 T CB -0.238 68.592 68.868 -0.064 0.000 1.134 349 T HN 0.398 nan 8.240 nan 0.000 0.530 350 G N 1.492 110.364 108.800 0.121 0.000 2.752 350 G HA2 -0.075 3.885 3.960 0.000 0.000 0.234 350 G HA3 -0.075 3.885 3.960 0.000 0.000 0.234 350 G C -0.422 174.497 174.900 0.033 0.000 1.367 350 G CA -0.385 44.763 45.100 0.081 0.000 0.879 350 G HN 0.362 nan 8.290 nan 0.000 0.563 351 L N 0.867 122.021 121.223 -0.115 0.000 2.699 351 L HA 0.871 5.212 4.340 0.000 0.000 0.146 351 L C 1.894 178.258 176.870 -0.844 0.000 1.639 351 L CA 1.358 55.988 54.840 -0.350 0.000 2.637 351 L CB -0.575 41.342 42.059 -0.237 0.000 2.909 351 L HN 2.346 nan 8.230 nan 0.000 0.694 352 G N -2.476 105.802 108.800 -0.870 0.000 2.343 352 G HA2 0.463 4.424 3.960 0.000 0.000 0.289 352 G HA3 0.463 4.424 3.960 0.000 0.000 0.289 352 G C -1.321 172.501 174.900 -1.796 0.000 1.295 352 G CA -0.289 43.795 45.100 -1.694 0.000 0.869 352 G HN 0.671 nan 8.290 nan 0.000 0.522 353 A N 0.541 122.108 122.820 -2.088 0.000 2.555 353 A HA 0.519 4.839 4.320 0.000 0.000 0.233 353 A C -0.370 176.864 177.584 -0.583 0.000 1.060 353 A CA 0.628 51.997 52.037 -1.112 0.000 0.759 353 A CB 0.018 18.874 19.000 -0.240 0.000 0.995 353 A HN 0.491 nan 8.150 nan 0.000 0.506 354 P HA -0.120 nan 4.420 nan 0.000 0.220 354 P C 0.778 177.856 177.300 -0.369 0.000 1.152 354 P CA 1.389 64.260 63.100 -0.381 0.000 0.812 354 P CB -0.166 31.286 31.700 -0.413 0.000 0.792 355 Y N -0.927 119.258 120.300 -0.191 0.000 1.993 355 Y HA -0.178 4.373 4.550 0.000 0.000 0.267 355 Y C 0.878 176.828 175.900 0.083 0.000 1.155 355 Y CA 1.229 59.275 58.100 -0.090 0.000 1.105 355 Y CB -1.873 36.483 38.460 -0.172 0.000 0.960 355 Y HN -0.062 nan 8.280 nan 0.000 0.486 356 W N 0.230 121.614 121.300 0.140 0.000 4.926 356 W HA -0.180 4.481 4.660 0.000 0.000 0.401 356 W C -0.575 175.990 176.519 0.077 0.000 1.555 356 W CA 0.307 57.698 57.345 0.077 0.000 0.877 356 W CB -1.499 28.024 29.460 0.105 0.000 2.743 356 W HN 0.136 nan 8.180 nan 0.000 1.328 357 D N 0.562 121.059 120.400 0.161 0.000 2.485 357 D HA 0.269 4.909 4.640 0.000 0.000 0.256 357 D C -0.808 175.500 176.300 0.013 0.000 1.141 357 D CA -2.325 51.749 54.000 0.122 0.000 0.942 357 D CB 0.835 41.707 40.800 0.120 0.000 1.003 357 D HN -0.120 nan 8.370 nan 0.000 0.507 358 P HA -0.187 nan 4.420 nan 0.000 0.223 358 P C 0.103 177.103 177.300 -0.499 0.000 1.138 358 P CA 1.205 64.109 63.100 -0.327 0.000 0.787 358 P CB -0.256 31.110 31.700 -0.558 0.000 0.752 359 Y N -2.009 118.323 120.300 0.054 0.000 2.557 359 Y HA 0.523 5.073 4.550 0.001 0.000 0.247 359 Y C 1.388 177.359 175.900 0.119 0.000 1.164 359 Y CA -0.728 57.416 58.100 0.072 0.000 1.218 359 Y CB -0.296 38.192 38.460 0.046 0.000 1.210 359 Y HN -0.126 nan 8.280 nan 0.000 0.529 360 A N 1.348 124.286 122.820 0.197 0.000 2.407 360 A HA 0.649 4.969 4.320 0.000 0.000 0.248 360 A C 0.139 177.810 177.584 0.145 0.000 1.082 360 A CA -0.315 51.815 52.037 0.156 0.000 0.785 360 A CB 0.420 19.438 19.000 0.030 0.000 1.020 360 A HN 0.154 nan 8.150 nan 0.000 0.489 361 R N 0.518 121.096 120.500 0.130 0.000 2.807 361 R HA 0.523 4.864 4.340 0.000 0.000 0.276 361 R C 0.442 176.703 176.300 -0.066 0.000 0.979 361 R CA -0.361 55.748 56.100 0.016 0.000 0.928 361 R CB 1.269 31.566 30.300 -0.005 0.000 1.191 361 R HN 0.955 nan 8.270 nan 0.000 0.471 362 G N 0.227 108.960 108.800 -0.110 0.000 2.484 362 G HA2 0.392 4.353 3.960 0.000 0.000 0.235 362 G HA3 0.392 4.353 3.960 0.000 0.000 0.235 362 G C -0.709 174.111 174.900 -0.133 0.000 1.282 362 G CA 0.337 45.475 45.100 0.063 0.000 0.857 362 G HN 0.628 nan 8.290 nan 0.000 0.571 363 A N 1.196 124.006 122.820 -0.018 0.000 2.574 363 A HA 0.649 4.969 4.320 0.000 0.000 0.297 363 A C -1.016 176.438 177.584 -0.217 0.000 1.062 363 A CA -0.654 51.235 52.037 -0.247 0.000 0.686 363 A CB 1.405 20.142 19.000 -0.438 0.000 1.285 363 A HN 0.595 nan 8.150 nan 0.000 0.403 364 I N 0.504 120.810 120.570 -0.439 0.000 2.562 364 I HA 0.739 4.909 4.170 0.000 0.000 0.301 364 I C -0.723 175.101 176.117 -0.488 0.000 1.003 364 I CA -1.374 59.798 61.300 -0.214 0.000 1.127 364 I CB 0.686 38.658 38.000 -0.046 0.000 1.304 364 I HN 0.532 nan 8.210 nan 0.000 0.446 365 F N 0.739 120.721 119.950 0.053 0.000 2.613 365 F HA 0.623 5.150 4.527 0.000 0.000 0.314 365 F C 0.902 176.745 175.800 0.071 0.000 1.075 365 F CA -0.756 57.268 58.000 0.039 0.000 0.945 365 F CB 2.004 41.014 39.000 0.016 0.000 1.310 365 F HN 0.688 nan 8.300 nan 0.000 0.467 366 G N 2.119 111.082 108.800 0.272 0.000 2.314 366 G HA2 -0.258 3.702 3.960 0.000 0.000 0.292 366 G HA3 -0.258 3.702 3.960 0.000 0.000 0.292 366 G C -0.682 174.280 174.900 0.103 0.000 1.059 366 G CA -0.369 44.834 45.100 0.172 0.000 0.982 366 G HN 0.539 nan 8.290 nan 0.000 0.505 367 L N 0.257 121.520 121.223 0.067 0.000 2.331 367 L HA 0.631 4.971 4.340 0.000 0.000 0.278 367 L C 0.920 177.800 176.870 0.018 0.000 1.106 367 L CA -0.405 54.453 54.840 0.031 0.000 0.824 367 L CB 1.336 43.403 42.059 0.013 0.000 1.142 367 L HN 0.189 nan 8.230 nan 0.000 0.443 368 T N 1.081 115.636 114.554 0.002 0.000 2.949 368 T HA 0.286 4.636 4.350 0.000 0.000 0.287 368 T C 1.101 175.800 174.700 -0.003 0.000 1.034 368 T CA -0.592 61.508 62.100 -0.001 0.000 1.018 368 T CB 1.863 70.725 68.868 -0.010 0.000 1.135 368 T HN 0.589 nan 8.240 nan 0.000 0.532 369 R N 0.916 121.417 120.500 0.003 0.000 2.083 369 R HA -0.076 4.264 4.340 0.000 0.000 0.237 369 R C 2.070 178.379 176.300 0.015 0.000 1.137 369 R CA 1.875 57.980 56.100 0.008 0.000 0.951 369 R CB -0.930 29.375 30.300 0.009 0.000 0.851 369 R HN 0.750 nan 8.270 nan 0.000 0.434 370 G N -0.058 108.750 108.800 0.013 0.000 2.920 370 G HA2 0.023 3.984 3.960 0.000 0.000 0.208 370 G HA3 0.023 3.984 3.960 0.000 0.000 0.208 370 G C 0.433 175.370 174.900 0.061 0.000 1.159 370 G CA -0.241 44.881 45.100 0.037 0.000 0.784 370 G HN 0.055 nan 8.290 nan 0.000 0.535 371 V N 1.843 121.754 119.914 -0.005 0.000 2.655 371 V HA 0.241 4.362 4.120 0.000 0.000 0.300 371 V C 0.277 176.500 176.094 0.216 0.000 1.044 371 V CA -0.043 62.250 62.300 -0.011 0.000 1.095 371 V CB 0.677 32.455 31.823 -0.075 0.000 0.952 371 V HN 0.713 nan 8.190 nan 0.000 0.485 372 N N 3.553 122.599 118.700 0.576 0.000 2.761 372 N HA 0.634 5.374 4.740 0.000 0.000 0.283 372 N C 0.612 176.174 175.510 0.086 0.000 1.377 372 N CA -0.219 52.949 53.050 0.196 0.000 0.791 372 N CB 1.434 39.951 38.487 0.050 0.000 1.540 372 N HN 0.453 nan 8.380 nan 0.000 0.539 373 A N 0.157 122.961 122.820 -0.027 0.000 1.958 373 A HA -0.283 4.037 4.320 0.000 0.000 0.221 373 A C 1.620 179.133 177.584 -0.119 0.000 1.178 373 A CA 1.870 53.856 52.037 -0.085 0.000 0.642 373 A CB -1.162 17.753 19.000 -0.142 0.000 0.816 373 A HN 0.725 nan 8.150 nan 0.000 0.453 374 N N -0.347 118.250 118.700 -0.172 0.000 2.043 374 N HA -0.166 4.574 4.740 0.000 0.000 0.193 374 N C 1.518 176.922 175.510 -0.177 0.000 1.037 374 N CA 1.981 54.901 53.050 -0.216 0.000 0.851 374 N CB -0.877 37.432 38.487 -0.297 0.000 1.027 374 N HN 0.800 nan 8.380 nan 0.000 0.422 375 H N 0.387 119.427 119.070 -0.049 0.000 2.319 375 H HA -0.057 4.500 4.556 0.001 0.000 0.297 375 H C 1.838 177.153 175.328 -0.022 0.000 1.097 375 H CA 1.045 57.072 56.048 -0.034 0.000 1.285 375 H CB -0.131 29.626 29.762 -0.008 0.000 1.368 375 H HN 0.072 nan 8.280 nan 0.000 0.495 376 I N 0.837 121.485 120.570 0.131 0.000 2.113 376 I HA -0.273 3.897 4.170 0.000 0.000 0.242 376 I C 2.305 178.455 176.117 0.055 0.000 1.064 376 I CA 1.307 62.662 61.300 0.091 0.000 1.320 376 I CB -0.770 37.271 38.000 0.068 0.000 1.028 376 I HN 0.324 nan 8.210 nan 0.000 0.406 377 I N -0.397 120.168 120.570 -0.009 0.000 2.208 377 I HA -0.331 3.839 4.170 0.000 0.000 0.245 377 I C 2.693 178.783 176.117 -0.046 0.000 1.097 377 I CA 1.392 62.671 61.300 -0.036 0.000 1.363 377 I CB -0.563 37.381 38.000 -0.094 0.000 1.051 377 I HN 0.254 nan 8.210 nan 0.000 0.413 378 R N 1.495 121.948 120.500 -0.079 0.000 2.081 378 R HA -0.161 4.179 4.340 0.000 0.000 0.235 378 R C 2.432 178.691 176.300 -0.069 0.000 1.131 378 R CA 1.592 57.609 56.100 -0.138 0.000 0.960 378 R CB -0.269 29.926 30.300 -0.175 0.000 0.856 378 R HN 0.333 nan 8.270 nan 0.000 0.436 379 A N 0.023 122.845 122.820 0.002 0.000 1.940 379 A HA -0.162 4.158 4.320 0.000 0.000 0.219 379 A C 2.124 179.755 177.584 0.078 0.000 1.176 379 A CA 2.104 54.168 52.037 0.045 0.000 0.631 379 A CB -0.922 18.138 19.000 0.100 0.000 0.814 379 A HN 0.498 nan 8.150 nan 0.000 0.446 380 T N 0.358 114.958 114.554 0.077 0.000 2.788 380 T HA -0.081 4.269 4.350 0.000 0.000 0.268 380 T C 1.758 176.487 174.700 0.048 0.000 1.044 380 T CA 1.463 63.617 62.100 0.090 0.000 1.139 380 T CB -0.326 68.608 68.868 0.110 0.000 0.867 380 T HN 0.404 nan 8.240 nan 0.000 0.454 381 L N 0.490 121.716 121.223 0.006 0.000 2.044 381 L HA -0.016 4.324 4.340 0.000 0.000 0.205 381 L C 2.810 179.636 176.870 -0.073 0.000 1.075 381 L CA 1.229 56.064 54.840 -0.009 0.000 0.747 381 L CB -0.533 41.541 42.059 0.024 0.000 0.903 381 L HN 0.253 nan 8.230 nan 0.000 0.435 382 E N 0.039 120.124 120.200 -0.192 0.000 2.070 382 E HA -0.284 4.067 4.350 0.000 0.000 0.197 382 E C 2.293 178.838 176.600 -0.092 0.000 1.004 382 E CA 1.730 57.880 56.400 -0.416 0.000 0.805 382 E CB -0.201 29.209 29.700 -0.484 0.000 0.744 382 E HN 0.461 nan 8.360 nan 0.000 0.451 383 S N 1.202 116.975 115.700 0.122 0.000 2.380 383 S HA -0.217 4.254 4.470 0.000 0.000 0.229 383 S C 2.061 176.695 174.600 0.057 0.000 1.043 383 S CA 1.295 59.641 58.200 0.242 0.000 1.038 383 S CB -0.477 62.876 63.200 0.255 0.000 0.872 383 S HN 0.221 nan 8.310 nan 0.000 0.456 384 I N 2.305 122.883 120.570 0.012 0.000 2.163 384 I HA -0.182 3.988 4.170 0.000 0.000 0.243 384 I C 3.120 179.213 176.117 -0.039 0.000 1.085 384 I CA 1.485 62.788 61.300 0.004 0.000 1.347 384 I CB -1.774 36.258 38.000 0.054 0.000 1.044 384 I HN 0.506 nan 8.210 nan 0.000 0.408 385 A N 0.712 123.480 122.820 -0.086 0.000 1.865 385 A HA -0.250 4.071 4.320 0.000 0.000 0.217 385 A C 2.214 179.617 177.584 -0.301 0.000 1.191 385 A CA 1.541 53.480 52.037 -0.163 0.000 0.623 385 A CB -1.145 17.772 19.000 -0.139 0.000 0.826 385 A HN 0.339 nan 8.150 nan 0.000 0.444 386 Y N 0.090 120.195 120.300 -0.324 0.000 2.030 386 Y HA -0.359 4.191 4.550 0.001 0.000 0.272 386 Y C 2.750 178.354 175.900 -0.495 0.000 1.185 386 Y CA 1.942 59.623 58.100 -0.698 0.000 1.120 386 Y CB -1.182 36.259 38.460 -1.699 0.000 0.955 386 Y HN 0.454 nan 8.280 nan 0.000 0.495 387 Q N -0.815 118.864 119.800 -0.203 0.000 1.998 387 Q HA -0.244 4.096 4.340 0.000 0.000 0.209 387 Q C 2.228 178.222 176.000 -0.011 0.000 1.002 387 Q CA 2.869 58.685 55.803 0.023 0.000 0.858 387 Q CB -0.618 28.128 28.738 0.014 0.000 0.932 387 Q HN 0.464 nan 8.270 nan 0.000 0.416 388 T N 0.391 114.889 114.554 -0.094 0.000 2.721 388 T HA -0.262 4.088 4.350 0.000 0.000 0.268 388 T C 1.642 176.281 174.700 -0.101 0.000 1.038 388 T CA 1.777 63.806 62.100 -0.118 0.000 1.145 388 T CB -0.283 68.514 68.868 -0.119 0.000 0.858 388 T HN 0.294 nan 8.240 nan 0.000 0.459 389 R N 1.349 121.767 120.500 -0.136 0.000 2.070 389 R HA -0.126 4.214 4.340 0.000 0.000 0.232 389 R C 2.038 178.322 176.300 -0.026 0.000 1.138 389 R CA 2.094 58.087 56.100 -0.178 0.000 0.936 389 R CB -0.529 29.517 30.300 -0.425 0.000 0.839 389 R HN 0.290 nan 8.270 nan 0.000 0.429 390 D N 0.266 120.763 120.400 0.162 0.000 2.248 390 D HA -0.249 4.391 4.640 0.000 0.000 0.191 390 D C 1.831 178.186 176.300 0.091 0.000 1.013 390 D CA 1.876 56.044 54.000 0.280 0.000 0.883 390 D CB -0.609 40.407 40.800 0.360 0.000 0.915 390 D HN 0.354 nan 8.370 nan 0.000 0.448 391 V N 0.735 120.666 119.914 0.030 0.000 2.535 391 V HA -0.043 4.077 4.120 0.000 0.000 0.246 391 V C 2.369 178.459 176.094 -0.007 0.000 1.045 391 V CA 0.995 63.290 62.300 -0.009 0.000 1.058 391 V CB -0.339 31.461 31.823 -0.038 0.000 0.689 391 V HN 0.240 nan 8.190 nan 0.000 0.461 392 L N 0.467 121.676 121.223 -0.023 0.000 2.079 392 L HA -0.135 4.205 4.340 0.000 0.000 0.210 392 L C 2.617 179.479 176.870 -0.014 0.000 1.081 392 L CA 2.418 57.240 54.840 -0.029 0.000 0.752 392 L CB -0.765 41.261 42.059 -0.056 0.000 0.896 392 L HN 0.409 nan 8.230 nan 0.000 0.433 393 E N 0.965 121.166 120.200 0.001 0.000 2.049 393 E HA -0.313 4.037 4.350 0.000 0.000 0.198 393 E C 2.241 178.853 176.600 0.020 0.000 1.007 393 E CA 1.416 57.828 56.400 0.019 0.000 0.809 393 E CB -0.574 29.163 29.700 0.063 0.000 0.749 393 E HN 0.738 nan 8.360 nan 0.000 0.450 394 A N 1.996 124.828 122.820 0.021 0.000 1.863 394 A HA -0.336 3.985 4.320 0.000 0.000 0.218 394 A C 2.311 179.909 177.584 0.023 0.000 1.233 394 A CA 2.696 54.747 52.037 0.023 0.000 0.655 394 A CB -0.909 18.108 19.000 0.027 0.000 0.839 394 A HN 0.268 nan 8.150 nan 0.000 0.454 395 M N -0.167 119.446 119.600 0.021 0.000 2.270 395 M HA -0.340 4.140 4.480 0.000 0.000 0.254 395 M C 2.261 178.567 176.300 0.009 0.000 1.072 395 M CA 2.696 58.006 55.300 0.017 0.000 1.077 395 M CB -0.718 31.886 32.600 0.007 0.000 1.288 395 M HN 0.612 nan 8.290 nan 0.000 0.424 396 Q N -0.873 118.926 119.800 -0.000 0.000 1.993 396 Q HA -0.138 4.203 4.340 0.000 0.000 0.202 396 Q C 2.132 178.136 176.000 0.006 0.000 0.984 396 Q CA 1.816 57.616 55.803 -0.004 0.000 0.837 396 Q CB -0.792 27.940 28.738 -0.010 0.000 0.902 396 Q HN 0.726 nan 8.270 nan 0.000 0.423 397 A N 1.203 124.031 122.820 0.013 0.000 2.194 397 A HA -0.209 4.111 4.320 0.000 0.000 0.220 397 A C 1.231 178.825 177.584 0.017 0.000 1.162 397 A CA 1.829 53.876 52.037 0.016 0.000 0.674 397 A CB -0.215 18.797 19.000 0.021 0.000 0.789 397 A HN 0.245 nan 8.150 nan 0.000 0.470 398 D N -1.456 118.954 120.400 0.018 0.000 2.394 398 D HA -0.003 4.637 4.640 0.000 0.000 0.226 398 D C 2.429 178.737 176.300 0.014 0.000 0.990 398 D CA 1.267 55.278 54.000 0.018 0.000 0.902 398 D CB -0.049 40.767 40.800 0.026 0.000 1.038 398 D HN 0.514 nan 8.370 nan 0.000 0.499 399 S N -0.147 115.561 115.700 0.013 0.000 2.387 399 S HA 0.105 4.576 4.470 0.000 0.000 0.226 399 S C 1.720 176.325 174.600 0.009 0.000 1.026 399 S CA 0.735 58.941 58.200 0.010 0.000 0.972 399 S CB -0.462 62.741 63.200 0.005 0.000 0.814 399 S HN 0.280 nan 8.310 nan 0.000 0.477 400 G N 1.453 110.257 108.800 0.007 0.000 2.370 400 G HA2 -0.170 3.790 3.960 0.000 0.000 0.295 400 G HA3 -0.170 3.790 3.960 0.000 0.000 0.295 400 G C -0.371 174.533 174.900 0.006 0.000 1.045 400 G CA 0.394 45.499 45.100 0.009 0.000 1.199 400 G HN 0.643 nan 8.290 nan 0.000 0.513 401 I N -0.669 119.898 120.570 -0.004 0.000 2.842 401 I HA 0.463 4.633 4.170 0.000 0.000 0.297 401 I C -0.128 175.957 176.117 -0.054 0.000 1.380 401 I CA -1.040 60.247 61.300 -0.022 0.000 1.018 401 I CB 2.215 40.199 38.000 -0.028 0.000 1.311 401 I HN 0.112 nan 8.210 nan 0.000 0.439 402 R N 4.003 124.445 120.500 -0.098 0.000 2.393 402 R HA 0.626 4.967 4.340 0.000 0.000 0.315 402 R C -1.602 174.370 176.300 -0.546 0.000 0.952 402 R CA -0.995 54.984 56.100 -0.201 0.000 0.842 402 R CB 1.735 32.016 30.300 -0.031 0.000 1.163 402 R HN 0.350 nan 8.270 nan 0.000 0.450 403 L N 3.322 124.285 121.223 -0.434 0.000 2.307 403 L HA 0.324 4.665 4.340 0.000 0.000 0.282 403 L C 0.869 177.416 176.870 -0.539 0.000 1.051 403 L CA -0.029 54.543 54.840 -0.447 0.000 0.804 403 L CB 1.124 43.072 42.059 -0.186 0.000 1.197 403 L HN 0.640 nan 8.230 nan 0.000 0.431 404 H N 1.029 120.101 119.070 0.002 0.000 2.652 404 H HA 0.654 5.210 4.556 0.000 0.000 0.274 404 H C -0.033 175.296 175.328 0.001 0.000 1.021 404 H CA 0.290 56.337 56.048 -0.001 0.000 1.187 404 H CB 0.658 30.421 29.762 0.001 0.000 1.505 404 H HN 0.613 nan 8.280 nan 0.000 0.530 405 A N 1.187 124.027 122.820 0.033 0.000 2.459 405 A HA 0.473 4.793 4.320 0.000 0.000 0.296 405 A C -1.569 176.020 177.584 0.008 0.000 1.039 405 A CA -0.616 51.441 52.037 0.034 0.000 0.698 405 A CB 1.324 20.358 19.000 0.056 0.000 1.261 405 A HN 0.220 nan 8.150 nan 0.000 0.405 406 L N 2.662 123.893 121.223 0.013 0.000 2.287 406 L HA 0.647 4.987 4.340 0.000 0.000 0.287 406 L C 0.160 177.054 176.870 0.039 0.000 1.022 406 L CA -0.681 54.168 54.840 0.015 0.000 0.814 406 L CB 1.314 43.376 42.059 0.005 0.000 1.217 406 L HN 0.939 nan 8.230 nan 0.000 0.420 407 R N 5.223 125.750 120.500 0.044 0.000 2.229 407 R HA 0.552 4.892 4.340 0.000 0.000 0.332 407 R C -0.816 175.532 176.300 0.080 0.000 0.989 407 R CA -0.566 55.568 56.100 0.057 0.000 0.842 407 R CB 1.148 31.476 30.300 0.047 0.000 1.119 407 R HN 0.477 nan 8.270 nan 0.000 0.456 408 V N 0.556 120.530 119.914 0.100 0.000 3.503 408 V HA 0.750 4.870 4.120 0.000 0.000 0.294 408 V C -0.384 175.796 176.094 0.144 0.000 1.102 408 V CA -0.092 62.309 62.300 0.168 0.000 0.979 408 V CB 1.422 33.382 31.823 0.228 0.000 1.240 408 V HN 1.069 nan 8.190 nan 0.000 0.444 409 D N -2.955 117.578 120.400 0.222 0.000 2.913 409 D HA 0.579 5.219 4.640 0.000 0.000 0.293 409 D C -0.349 176.091 176.300 0.235 0.000 1.238 409 D CA 0.316 54.414 54.000 0.164 0.000 0.738 409 D CB 0.610 41.473 40.800 0.105 0.000 1.254 409 D HN 2.218 nan 8.370 nan 0.000 0.429 410 G N -1.782 107.111 108.800 0.156 0.000 2.619 410 G HA2 0.433 4.393 3.960 0.000 0.000 0.686 410 G HA3 0.433 4.393 3.960 0.000 0.000 0.686 410 G C 0.879 175.852 174.900 0.123 0.000 1.256 410 G CA 0.281 45.477 45.100 0.161 0.000 0.826 410 G HN 1.534 nan 8.290 nan 0.000 0.619 411 G N 0.582 109.453 108.800 0.119 0.000 2.808 411 G HA2 0.054 4.014 3.960 0.000 0.000 0.225 411 G HA3 0.054 4.014 3.960 0.000 0.000 0.225 411 G C 2.204 177.149 174.900 0.076 0.000 1.210 411 G CA 3.438 48.597 45.100 0.099 0.000 0.777 411 G HN 2.326 nan 8.290 nan 0.000 0.640 412 A N 0.120 122.987 122.820 0.077 0.000 2.225 412 A HA 0.159 4.479 4.320 0.000 0.000 0.215 412 A C 2.520 180.037 177.584 -0.112 0.000 1.164 412 A CA 2.086 54.124 52.037 0.003 0.000 0.710 412 A CB -0.621 18.378 19.000 -0.003 0.000 0.780 412 A HN 1.192 nan 8.150 nan 0.000 0.473 413 V N -3.069 116.779 119.914 -0.110 0.000 3.078 413 V HA -0.016 4.104 4.120 0.000 0.000 0.265 413 V C 2.227 178.267 176.094 -0.091 0.000 1.122 413 V CA 1.423 63.603 62.300 -0.200 0.000 1.141 413 V CB -1.469 30.273 31.823 -0.134 0.000 0.735 413 V HN 0.473 nan 8.190 nan 0.000 0.498 414 A N 0.986 123.798 122.820 -0.014 0.000 1.978 414 A HA -0.188 4.132 4.320 0.000 0.000 0.220 414 A C 1.458 179.062 177.584 0.034 0.000 1.170 414 A CA 1.522 53.587 52.037 0.047 0.000 0.636 414 A CB -1.042 18.015 19.000 0.094 0.000 0.810 414 A HN 0.716 nan 8.150 nan 0.000 0.448 415 N N 0.380 119.061 118.700 -0.031 0.000 2.431 415 N HA 0.049 4.789 4.740 0.000 0.000 0.265 415 N C 0.595 176.075 175.510 -0.050 0.000 1.184 415 N CA -0.145 52.881 53.050 -0.040 0.000 0.943 415 N CB 0.341 38.799 38.487 -0.048 0.000 1.080 415 N HN 0.274 nan 8.380 nan 0.000 0.477 416 N N 2.754 121.491 118.700 0.060 0.000 2.336 416 N HA -0.099 4.641 4.740 0.000 0.000 0.177 416 N C 1.210 176.781 175.510 0.101 0.000 1.018 416 N CA 0.370 53.506 53.050 0.142 0.000 0.878 416 N CB -0.344 38.338 38.487 0.324 0.000 0.997 416 N HN 0.565 nan 8.380 nan 0.000 0.433 417 F N 2.711 122.655 119.950 -0.010 0.000 2.063 417 F HA -0.229 4.298 4.527 0.000 0.000 0.298 417 F C 2.119 177.890 175.800 -0.048 0.000 1.105 417 F CA 1.305 59.294 58.000 -0.018 0.000 1.215 417 F CB -0.565 38.397 39.000 -0.064 0.000 0.972 417 F HN -0.027 nan 8.300 nan 0.000 0.483 418 L N -0.218 120.946 121.223 -0.098 0.000 1.933 418 L HA -0.344 3.996 4.340 0.000 0.000 0.220 418 L C 2.592 179.226 176.870 -0.393 0.000 1.078 418 L CA 2.195 56.892 54.840 -0.238 0.000 0.773 418 L CB -0.644 41.334 42.059 -0.136 0.000 0.890 418 L HN 0.245 nan 8.230 nan 0.000 0.434 419 M N -0.730 118.555 119.600 -0.523 0.000 2.190 419 M HA -0.342 4.139 4.480 0.000 0.000 0.252 419 M C 2.143 177.980 176.300 -0.772 0.000 1.076 419 M CA 2.033 56.803 55.300 -0.883 0.000 1.079 419 M CB -1.553 30.127 32.600 -1.533 0.000 1.303 419 M HN 0.397 nan 8.290 nan 0.000 0.412 420 Q N -0.120 119.374 119.800 -0.510 0.000 2.002 420 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 420 Q C 1.976 177.847 176.000 -0.214 0.000 0.988 420 Q CA 2.014 57.755 55.803 -0.103 0.000 0.843 420 Q CB -0.941 27.837 28.738 0.066 0.000 0.908 420 Q HN 0.446 nan 8.270 nan 0.000 0.420 421 F N 0.937 120.546 119.950 -0.568 0.000 2.043 421 F HA -0.334 4.193 4.527 0.000 0.000 0.297 421 F C 2.372 177.918 175.800 -0.423 0.000 1.118 421 F CA 2.429 60.076 58.000 -0.589 0.000 1.202 421 F CB -0.791 37.630 39.000 -0.965 0.000 0.965 421 F HN 0.275 nan 8.300 nan 0.000 0.482 422 Q N 0.875 120.511 119.800 -0.273 0.000 2.028 422 Q HA -0.321 4.019 4.340 0.000 0.000 0.213 422 Q C 2.503 178.313 176.000 -0.317 0.000 1.017 422 Q CA 3.315 58.944 55.803 -0.290 0.000 0.875 422 Q CB -1.116 27.468 28.738 -0.257 0.000 0.962 422 Q HN 0.559 nan 8.270 nan 0.000 0.413 423 S N -0.542 115.002 115.700 -0.259 0.000 2.368 423 S HA -0.178 4.293 4.470 0.000 0.000 0.225 423 S C 1.554 176.026 174.600 -0.213 0.000 1.030 423 S CA 1.462 59.556 58.200 -0.176 0.000 0.999 423 S CB -0.616 62.548 63.200 -0.060 0.000 0.844 423 S HN 0.487 nan 8.310 nan 0.000 0.459 424 D N 1.018 121.256 120.400 -0.269 0.000 2.182 424 D HA -0.030 4.610 4.640 0.000 0.000 0.201 424 D C 1.706 177.792 176.300 -0.356 0.000 0.986 424 D CA 0.738 54.569 54.000 -0.281 0.000 0.847 424 D CB -0.353 40.268 40.800 -0.297 0.000 0.942 424 D HN 0.411 nan 8.370 nan 0.000 0.467 425 I N 0.239 120.497 120.570 -0.519 0.000 2.480 425 I HA -0.120 4.051 4.170 0.000 0.000 0.251 425 I C 1.842 177.740 176.117 -0.366 0.000 1.124 425 I CA 0.471 61.453 61.300 -0.529 0.000 1.444 425 I CB -0.212 37.307 38.000 -0.801 0.000 1.098 425 I HN -0.091 nan 8.210 nan 0.000 0.428 426 L N 1.024 122.063 121.223 -0.307 0.000 2.056 426 L HA 0.094 4.434 4.340 0.000 0.000 0.207 426 L C 1.678 178.454 176.870 -0.156 0.000 1.078 426 L CA 1.673 56.380 54.840 -0.223 0.000 0.749 426 L CB -1.870 40.087 42.059 -0.169 0.000 0.901 426 L HN 0.485 nan 8.230 nan 0.000 0.433 427 G N -0.409 108.309 108.800 -0.136 0.000 2.212 427 G HA2 -0.230 3.731 3.960 0.000 0.000 0.255 427 G HA3 -0.230 3.731 3.960 0.000 0.000 0.255 427 G C 0.334 175.207 174.900 -0.045 0.000 1.062 427 G CA 0.483 45.535 45.100 -0.081 0.000 0.815 427 G HN 0.418 nan 8.290 nan 0.000 0.497 428 T N -0.709 113.814 114.554 -0.051 0.000 2.792 428 T HA 0.653 5.004 4.350 0.000 0.000 0.303 428 T C -0.095 174.602 174.700 -0.005 0.000 1.310 428 T CA -0.397 61.694 62.100 -0.015 0.000 1.007 428 T CB 1.330 70.182 68.868 -0.026 0.000 1.335 428 T HN 0.747 nan 8.240 nan 0.000 0.504 429 R N 0.822 121.337 120.500 0.025 0.000 2.457 429 R HA 0.711 5.052 4.340 0.000 0.000 0.284 429 R C -1.309 175.020 176.300 0.048 0.000 1.024 429 R CA -0.526 55.600 56.100 0.043 0.000 1.025 429 R CB 0.580 30.912 30.300 0.053 0.000 1.063 429 R HN 0.327 nan 8.270 nan 0.000 0.493 430 V N 2.144 122.109 119.914 0.085 0.000 2.334 430 V HA 0.232 4.353 4.120 0.000 0.000 0.281 430 V C -0.324 175.862 176.094 0.154 0.000 1.016 430 V CA -0.825 61.522 62.300 0.078 0.000 0.832 430 V CB 1.108 32.917 31.823 -0.024 0.000 0.999 430 V HN 0.769 nan 8.190 nan 0.000 0.439 431 E N 3.680 123.941 120.200 0.103 0.000 1.996 431 E HA 0.302 4.652 4.350 0.000 0.000 0.280 431 E C 0.044 176.706 176.600 0.104 0.000 1.092 431 E CA -0.163 56.299 56.400 0.103 0.000 0.862 431 E CB 0.711 30.452 29.700 0.069 0.000 1.066 431 E HN 0.508 nan 8.360 nan 0.000 0.396 432 R N 5.310 125.895 120.500 0.142 0.000 2.207 432 R HA 0.246 4.587 4.340 0.000 0.000 0.334 432 R C -2.245 174.106 176.300 0.085 0.000 1.013 432 R CA -2.099 54.071 56.100 0.117 0.000 0.858 432 R CB 0.563 30.965 30.300 0.171 0.000 1.094 432 R HN 0.305 nan 8.270 nan 0.000 0.457 433 P HA -0.027 nan 4.420 nan 0.000 0.274 433 P C -0.255 177.076 177.300 0.052 0.000 1.264 433 P CA 0.037 63.169 63.100 0.052 0.000 0.795 433 P CB 0.801 32.529 31.700 0.045 0.000 1.064 434 E N -0.419 119.807 120.200 0.044 0.000 2.030 434 E HA -0.018 4.332 4.350 0.000 0.000 0.189 434 E C 0.618 177.244 176.600 0.044 0.000 0.974 434 E CA 0.369 56.794 56.400 0.042 0.000 0.807 434 E CB -0.297 29.425 29.700 0.037 0.000 0.771 434 E HN 0.203 nan 8.360 nan 0.000 0.451 435 V N 0.317 120.257 119.914 0.044 0.000 3.003 435 V HA 0.160 4.280 4.120 0.000 0.000 0.305 435 V C 0.642 176.762 176.094 0.043 0.000 1.078 435 V CA 0.120 62.447 62.300 0.045 0.000 1.083 435 V CB 1.637 33.489 31.823 0.048 0.000 1.039 435 V HN 0.204 nan 8.190 nan 0.000 0.481 436 R N 1.591 122.117 120.500 0.044 0.000 2.383 436 R HA 0.328 4.668 4.340 0.000 0.000 0.205 436 R C 1.089 177.413 176.300 0.040 0.000 0.875 436 R CA 0.324 56.451 56.100 0.045 0.000 1.039 436 R CB 0.021 30.351 30.300 0.050 0.000 1.267 436 R HN 0.780 nan 8.270 nan 0.000 0.635 437 E N 0.631 120.852 120.200 0.035 0.000 2.705 437 E HA 0.013 4.363 4.350 0.000 0.000 0.272 437 E C 0.778 177.379 176.600 0.002 0.000 1.528 437 E CA -0.012 56.404 56.400 0.028 0.000 1.750 437 E CB -0.210 29.509 29.700 0.033 0.000 1.439 437 E HN -0.013 nan 8.360 nan 0.000 0.449 438 V N 0.190 120.104 119.914 -0.000 0.000 2.370 438 V HA -0.366 3.754 4.120 0.000 0.000 0.252 438 V C 1.772 177.821 176.094 -0.075 0.000 1.068 438 V CA 2.342 64.622 62.300 -0.035 0.000 1.061 438 V CB -0.364 31.455 31.823 -0.007 0.000 0.656 438 V HN 0.559 nan 8.190 nan 0.000 0.455 439 T N 0.110 114.645 114.554 -0.032 0.000 2.523 439 T HA -0.171 4.179 4.350 0.000 0.000 0.253 439 T C 2.012 176.674 174.700 -0.063 0.000 1.139 439 T CA 1.665 63.743 62.100 -0.037 0.000 1.230 439 T CB -0.817 68.051 68.868 0.000 0.000 0.871 439 T HN 0.588 nan 8.240 nan 0.000 0.396 440 A N 1.431 124.237 122.820 -0.024 0.000 1.944 440 A HA -0.220 4.100 4.320 0.000 0.000 0.222 440 A C 2.259 179.814 177.584 -0.048 0.000 1.237 440 A CA 2.079 54.109 52.037 -0.012 0.000 0.668 440 A CB -1.463 17.549 19.000 0.019 0.000 0.830 440 A HN 0.519 nan 8.150 nan 0.000 0.471 441 L N -1.472 119.700 121.223 -0.086 0.000 2.013 441 L HA -0.355 3.985 4.340 0.000 0.000 0.239 441 L C 2.778 179.344 176.870 -0.506 0.000 1.100 441 L CA 2.023 56.743 54.840 -0.199 0.000 0.826 441 L CB -1.262 40.644 42.059 -0.255 0.000 0.921 441 L HN 0.561 nan 8.230 nan 0.000 0.445 442 G N -1.352 107.058 108.800 -0.652 0.000 2.764 442 G HA2 -0.407 3.553 3.960 0.000 0.000 0.219 442 G HA3 -0.407 3.553 3.960 0.000 0.000 0.219 442 G C 1.586 176.412 174.900 -0.123 0.000 1.259 442 G CA 1.795 46.591 45.100 -0.505 0.000 0.793 442 G HN 0.682 nan 8.290 nan 0.000 0.633 443 A N 1.043 123.835 122.820 -0.045 0.000 1.929 443 A HA -0.067 4.254 4.320 0.000 0.000 0.221 443 A C 2.880 180.507 177.584 0.072 0.000 1.211 443 A CA 3.417 55.466 52.037 0.021 0.000 0.657 443 A CB -1.193 17.815 19.000 0.014 0.000 0.827 443 A HN 1.333 nan 8.150 nan 0.000 0.462 444 A N -0.968 121.894 122.820 0.070 0.000 1.841 444 A HA -0.022 4.298 4.320 0.000 0.000 0.216 444 A C 1.948 179.660 177.584 0.214 0.000 1.199 444 A CA 1.757 53.874 52.037 0.133 0.000 0.621 444 A CB -1.033 18.053 19.000 0.143 0.000 0.835 444 A HN 0.568 nan 8.150 nan 0.000 0.445 445 Y N -0.846 119.416 120.300 -0.063 0.000 1.897 445 Y HA -0.243 4.307 4.550 0.000 0.000 0.175 445 Y C 2.220 178.170 175.900 0.084 0.000 0.880 445 Y CA 0.860 58.900 58.100 -0.100 0.000 0.834 445 Y CB -1.807 36.573 38.460 -0.133 0.000 0.834 445 Y HN 0.227 nan 8.280 nan 0.000 0.615 446 L N -0.386 121.078 121.223 0.402 0.000 2.336 446 L HA -0.432 3.908 4.340 0.000 0.000 0.235 446 L C 2.390 179.358 176.870 0.164 0.000 1.136 446 L CA 2.983 57.961 54.840 0.231 0.000 0.857 446 L CB -1.275 40.851 42.059 0.111 0.000 0.952 446 L HN 0.508 nan 8.230 nan 0.000 0.449 447 A N -1.620 121.293 122.820 0.155 0.000 1.930 447 A HA -0.025 4.295 4.320 0.000 0.000 0.217 447 A C 2.265 179.935 177.584 0.144 0.000 1.175 447 A CA 1.847 53.958 52.037 0.124 0.000 0.627 447 A CB -1.064 18.001 19.000 0.109 0.000 0.815 447 A HN 0.567 nan 8.150 nan 0.000 0.443 448 G N -1.040 107.892 108.800 0.221 0.000 2.492 448 G HA2 0.091 4.051 3.960 0.000 0.000 0.214 448 G HA3 0.091 4.051 3.960 0.000 0.000 0.214 448 G C 1.309 176.441 174.900 0.386 0.000 1.147 448 G CA 0.662 45.965 45.100 0.339 0.000 0.809 448 G HN 0.331 nan 8.290 nan 0.000 0.533 449 L N 1.873 123.292 121.223 0.326 0.000 2.127 449 L HA 0.066 4.407 4.340 0.000 0.000 0.211 449 L C 2.943 179.929 176.870 0.192 0.000 1.089 449 L CA 1.713 56.717 54.840 0.274 0.000 0.757 449 L CB -0.971 41.234 42.059 0.243 0.000 0.899 449 L HN 0.267 nan 8.230 nan 0.000 0.434 450 A N -1.664 121.246 122.820 0.150 0.000 1.940 450 A HA -0.154 4.166 4.320 0.000 0.000 0.219 450 A C 2.138 179.762 177.584 0.067 0.000 1.176 450 A CA 1.831 53.908 52.037 0.067 0.000 0.631 450 A CB -0.599 18.407 19.000 0.011 0.000 0.814 450 A HN 0.247 nan 8.150 nan 0.000 0.446 451 V N -1.018 118.972 119.914 0.127 0.000 3.214 451 V HA 0.432 4.553 4.120 0.000 0.000 0.330 451 V C 1.345 177.535 176.094 0.160 0.000 1.403 451 V CA 0.939 63.315 62.300 0.126 0.000 1.143 451 V CB -0.555 31.347 31.823 0.131 0.000 1.098 451 V HN 1.165 nan 8.190 nan 0.000 0.463 452 G N 0.510 109.410 108.800 0.168 0.000 2.196 452 G HA2 -0.406 3.554 3.960 0.000 0.000 0.268 452 G HA3 -0.406 3.554 3.960 0.000 0.000 0.268 452 G C 0.727 175.719 174.900 0.154 0.000 0.975 452 G CA 0.750 45.931 45.100 0.134 0.000 0.648 452 G HN 0.617 nan 8.290 nan 0.000 0.538 453 F N -0.054 119.967 119.950 0.118 0.000 2.583 453 F HA 0.339 4.866 4.527 0.000 0.000 0.297 453 F C 1.198 177.028 175.800 0.049 0.000 1.131 453 F CA 0.883 58.936 58.000 0.089 0.000 1.467 453 F CB 0.066 39.161 39.000 0.158 0.000 1.097 453 F HN 0.318 nan 8.300 nan 0.000 0.586 454 W N -0.409 120.944 121.300 0.089 0.000 3.018 454 W HA 0.310 4.970 4.660 0.001 0.000 0.352 454 W C -0.914 175.615 176.519 0.015 0.000 1.230 454 W CA -0.590 56.758 57.345 0.005 0.000 1.162 454 W CB 0.944 30.380 29.460 -0.040 0.000 1.483 454 W HN -0.159 nan 8.180 nan 0.000 0.584 455 Q N 1.967 121.939 119.800 0.286 0.000 3.693 455 Q HA 0.212 4.552 4.340 0.000 0.000 0.226 455 Q C -0.787 175.296 176.000 0.138 0.000 0.757 455 Q CA -0.397 55.504 55.803 0.162 0.000 0.891 455 Q CB 0.226 29.015 28.738 0.085 0.000 1.561 455 Q HN 0.496 nan 8.270 nan 0.000 0.390 456 N N 0.025 118.816 118.700 0.151 0.000 5.622 456 N HA -0.135 4.605 4.740 0.000 0.000 0.401 456 N C -1.420 174.103 175.510 0.021 0.000 1.716 456 N CA -0.511 52.590 53.050 0.085 0.000 2.253 456 N CB -0.620 37.906 38.487 0.065 0.000 0.711 456 N HN 0.283 nan 8.380 nan 0.000 0.503 457 L N 0.259 121.452 121.223 -0.050 0.000 2.416 457 L HA 0.070 4.410 4.340 0.000 0.000 0.216 457 L C 1.688 178.492 176.870 -0.108 0.000 1.098 457 L CA 0.534 55.274 54.840 -0.168 0.000 0.840 457 L CB -0.749 41.197 42.059 -0.187 0.000 0.981 457 L HN 0.611 nan 8.230 nan 0.000 0.462 458 D N 0.493 120.872 120.400 -0.036 0.000 2.271 458 D HA -0.211 4.429 4.640 0.000 0.000 0.207 458 D C 1.548 177.846 176.300 -0.003 0.000 0.983 458 D CA 1.008 54.999 54.000 -0.014 0.000 0.878 458 D CB 0.338 41.142 40.800 0.006 0.000 0.920 458 D HN 0.528 nan 8.370 nan 0.000 0.479 459 E N 0.472 120.682 120.200 0.016 0.000 2.002 459 E HA -0.203 4.147 4.350 0.000 0.000 0.205 459 E C 2.287 178.904 176.600 0.028 0.000 1.020 459 E CA 0.877 57.324 56.400 0.078 0.000 0.856 459 E CB -0.259 29.586 29.700 0.243 0.000 0.788 459 E HN 0.169 nan 8.360 nan 0.000 0.477 460 L N 1.439 122.598 121.223 -0.107 0.000 2.127 460 L HA -0.226 4.114 4.340 0.000 0.000 0.211 460 L C 2.430 179.240 176.870 -0.100 0.000 1.089 460 L CA 1.424 56.127 54.840 -0.228 0.000 0.757 460 L CB -0.816 40.775 42.059 -0.779 0.000 0.899 460 L HN 0.159 nan 8.230 nan 0.000 0.434 461 Q N -0.080 119.669 119.800 -0.085 0.000 2.293 461 Q HA -0.344 3.997 4.340 0.000 0.000 0.218 461 Q C 2.132 178.126 176.000 -0.010 0.000 1.015 461 Q CA 2.220 57.999 55.803 -0.040 0.000 0.941 461 Q CB -0.226 28.496 28.738 -0.027 0.000 0.979 461 Q HN 0.504 nan 8.270 nan 0.000 0.416 462 E N -0.014 120.187 120.200 0.001 0.000 2.274 462 E HA -0.070 4.280 4.350 0.000 0.000 0.194 462 E C 1.375 177.989 176.600 0.023 0.000 0.996 462 E CA 0.574 56.984 56.400 0.015 0.000 0.840 462 E CB 0.031 29.745 29.700 0.023 0.000 0.772 462 E HN 0.025 nan 8.360 nan 0.000 0.491 463 K N 0.103 120.518 120.400 0.024 0.000 2.555 463 K HA 0.110 4.431 4.320 0.000 0.000 0.193 463 K C -0.017 176.604 176.600 0.035 0.000 1.032 463 K CA 0.273 56.583 56.287 0.038 0.000 1.004 463 K CB -0.111 32.421 32.500 0.054 0.000 0.804 463 K HN -0.002 nan 8.250 nan 0.000 0.496 464 A N 1.469 124.304 122.820 0.024 0.000 3.078 464 A HA 0.284 4.605 4.320 0.000 0.000 0.279 464 A C -0.257 177.341 177.584 0.023 0.000 1.594 464 A CA -0.476 51.574 52.037 0.022 0.000 1.301 464 A CB -0.214 18.793 19.000 0.012 0.000 1.162 464 A HN -0.082 nan 8.150 nan 0.000 0.585 465 V N 3.755 123.686 119.914 0.027 0.000 2.333 465 V HA 0.225 4.345 4.120 0.000 0.000 0.274 465 V C 0.522 176.634 176.094 0.030 0.000 1.028 465 V CA -0.751 61.566 62.300 0.027 0.000 0.851 465 V CB 1.121 32.960 31.823 0.026 0.000 1.000 465 V HN 0.704 nan 8.190 nan 0.000 0.456 466 I N 4.915 125.502 120.570 0.029 0.000 2.471 466 I HA 0.181 4.351 4.170 0.000 0.000 0.286 466 I C 1.256 177.392 176.117 0.031 0.000 1.079 466 I CA 0.445 61.767 61.300 0.036 0.000 1.398 466 I CB 1.155 39.179 38.000 0.040 0.000 1.403 466 I HN 1.003 nan 8.210 nan 0.000 0.530 467 E N 8.067 128.289 120.200 0.037 0.000 2.030 467 E HA -0.068 4.282 4.350 0.000 0.000 0.189 467 E C 0.106 176.716 176.600 0.017 0.000 0.974 467 E CA 0.155 56.571 56.400 0.027 0.000 0.807 467 E CB 0.262 29.983 29.700 0.035 0.000 0.771 467 E HN 0.508 nan 8.360 nan 0.000 0.451 468 R N 1.440 121.967 120.500 0.044 0.000 2.460 468 R HA 0.280 4.620 4.340 0.000 0.000 0.303 468 R C -1.173 175.159 176.300 0.053 0.000 0.968 468 R CA -0.648 55.463 56.100 0.018 0.000 0.889 468 R CB 1.304 31.657 30.300 0.088 0.000 1.123 468 R HN 0.365 nan 8.270 nan 0.000 0.455 469 E N 3.877 124.041 120.200 -0.060 0.000 2.191 469 E HA 0.356 4.706 4.350 0.000 0.000 0.263 469 E C -1.345 175.183 176.600 -0.120 0.000 0.881 469 E CA -0.502 55.901 56.400 0.006 0.000 0.757 469 E CB 0.718 30.416 29.700 -0.003 0.000 1.147 469 E HN 0.271 nan 8.360 nan 0.000 0.414 470 F N 2.835 122.767 119.950 -0.030 0.000 2.436 470 F HA 0.537 5.064 4.527 0.000 0.000 0.340 470 F C 0.506 176.279 175.800 -0.044 0.000 1.113 470 F CA -0.748 57.227 58.000 -0.043 0.000 1.022 470 F CB 1.631 40.593 39.000 -0.064 0.000 1.128 470 F HN 0.349 nan 8.300 nan 0.000 0.466 471 R N 2.949 123.520 120.500 0.119 0.000 2.599 471 R HA 0.433 4.773 4.340 0.000 0.000 0.295 471 R C -2.710 173.611 176.300 0.035 0.000 0.963 471 R CA -2.140 53.992 56.100 0.052 0.000 0.883 471 R CB 1.923 32.229 30.300 0.010 0.000 1.171 471 R HN 0.249 nan 8.270 nan 0.000 0.450 472 P HA -0.008 nan 4.420 nan 0.000 0.258 472 P C 0.120 177.405 177.300 -0.025 0.000 1.187 472 P CA 0.334 63.415 63.100 -0.031 0.000 0.767 472 P CB 0.632 32.306 31.700 -0.044 0.000 0.770 473 G N 2.493 111.274 108.800 -0.032 0.000 3.324 473 G HA2 0.221 4.181 3.960 0.000 0.000 0.251 473 G HA3 0.221 4.181 3.960 0.000 0.000 0.251 473 G C -0.034 174.854 174.900 -0.020 0.000 1.072 473 G CA 0.191 45.281 45.100 -0.017 0.000 0.787 473 G HN 0.401 nan 8.290 nan 0.000 0.537 474 I N 0.912 121.457 120.570 -0.041 0.000 2.562 474 I HA 0.377 4.547 4.170 0.000 0.000 0.301 474 I C 0.024 176.128 176.117 -0.021 0.000 1.003 474 I CA -1.917 59.366 61.300 -0.029 0.000 1.127 474 I CB 1.844 39.815 38.000 -0.049 0.000 1.304 474 I HN 0.013 nan 8.210 nan 0.000 0.446 475 E N 3.247 123.446 120.200 -0.001 0.000 2.422 475 E HA 0.023 4.373 4.350 0.000 0.000 0.260 475 E C 0.733 177.341 176.600 0.013 0.000 1.108 475 E CA 0.169 56.574 56.400 0.007 0.000 0.943 475 E CB 0.446 30.156 29.700 0.017 0.000 0.961 475 E HN 0.634 nan 8.360 nan 0.000 0.443 476 T N 2.114 116.679 114.554 0.017 0.000 2.544 476 T HA -0.220 4.130 4.350 0.000 0.000 0.264 476 T C 1.701 176.436 174.700 0.058 0.000 1.096 476 T CA 2.245 64.361 62.100 0.028 0.000 1.181 476 T CB -0.426 68.458 68.868 0.028 0.000 0.864 476 T HN 0.570 nan 8.240 nan 0.000 0.415 477 T N 2.530 117.123 114.554 0.066 0.000 2.364 477 T HA -0.261 4.089 4.350 0.000 0.000 0.234 477 T C 1.733 176.528 174.700 0.157 0.000 1.421 477 T CA 1.677 63.837 62.100 0.100 0.000 1.176 477 T CB -0.814 68.094 68.868 0.068 0.000 0.859 477 T HN 0.369 nan 8.240 nan 0.000 0.407 478 E N 0.775 121.054 120.200 0.132 0.000 2.241 478 E HA -0.319 4.032 4.350 0.000 0.000 0.244 478 E C 2.216 178.947 176.600 0.218 0.000 1.070 478 E CA 1.679 58.186 56.400 0.177 0.000 0.998 478 E CB -0.683 29.075 29.700 0.097 0.000 0.879 478 E HN 0.404 nan 8.360 nan 0.000 0.501 479 R N 0.062 120.624 120.500 0.103 0.000 2.234 479 R HA -0.247 4.094 4.340 0.000 0.000 0.241 479 R C 1.951 178.342 176.300 0.152 0.000 1.115 479 R CA 2.353 58.486 56.100 0.055 0.000 0.913 479 R CB -0.474 29.820 30.300 -0.009 0.000 0.911 479 R HN 0.304 nan 8.270 nan 0.000 0.430 480 N N -0.743 118.061 118.700 0.173 0.000 2.354 480 N HA -0.160 4.580 4.740 0.000 0.000 0.179 480 N C 1.613 177.246 175.510 0.205 0.000 1.021 480 N CA 0.833 54.013 53.050 0.217 0.000 0.887 480 N CB -0.429 38.161 38.487 0.173 0.000 0.974 480 N HN 0.347 nan 8.380 nan 0.000 0.437 481 Y N 3.224 123.616 120.300 0.154 0.000 2.151 481 Y HA -0.230 4.320 4.550 0.000 0.000 0.284 481 Y C 2.164 178.199 175.900 0.225 0.000 1.166 481 Y CA 1.759 59.951 58.100 0.154 0.000 1.163 481 Y CB 0.062 38.599 38.460 0.128 0.000 0.974 481 Y HN -0.023 nan 8.280 nan 0.000 0.511 482 R N -1.377 119.180 120.500 0.093 0.000 2.066 482 R HA -0.150 4.190 4.340 0.000 0.000 0.224 482 R C 2.092 178.601 176.300 0.349 0.000 1.122 482 R CA 1.263 57.520 56.100 0.262 0.000 0.974 482 R CB -1.838 28.766 30.300 0.507 0.000 0.871 482 R HN 0.393 nan 8.270 nan 0.000 0.435 483 Y N 2.486 122.901 120.300 0.192 0.000 2.139 483 Y HA -0.277 4.273 4.550 0.001 0.000 0.282 483 Y C 2.422 178.374 175.900 0.086 0.000 1.179 483 Y CA 0.983 59.188 58.100 0.175 0.000 1.161 483 Y CB -0.821 37.731 38.460 0.154 0.000 0.970 483 Y HN 0.164 nan 8.280 nan 0.000 0.511 484 A N -0.192 122.616 122.820 -0.020 0.000 1.837 484 A HA -0.208 4.112 4.320 0.000 0.000 0.216 484 A C 2.666 180.038 177.584 -0.354 0.000 1.210 484 A CA 2.367 54.279 52.037 -0.208 0.000 0.632 484 A CB -1.685 17.188 19.000 -0.211 0.000 0.843 484 A HN 0.533 nan 8.150 nan 0.000 0.448 485 G N -1.394 107.144 108.800 -0.436 0.000 2.485 485 G HA2 -0.326 3.635 3.960 0.000 0.000 0.221 485 G HA3 -0.326 3.635 3.960 0.000 0.000 0.221 485 G C 1.458 175.629 174.900 -1.215 0.000 1.115 485 G CA 1.085 45.721 45.100 -0.774 0.000 0.751 485 G HN 0.774 nan 8.290 nan 0.000 0.567 486 W N 1.715 122.413 121.300 -1.002 0.000 2.335 486 W HA -0.093 4.568 4.660 0.001 0.000 0.311 486 W C 1.976 178.105 176.519 -0.650 0.000 1.213 486 W CA 1.588 58.457 57.345 -0.793 0.000 1.274 486 W CB -0.190 28.863 29.460 -0.678 0.000 1.148 486 W HN 0.187 nan 8.180 nan 0.000 0.498 487 K N 0.574 120.498 120.400 -0.793 0.000 2.025 487 K HA -0.210 4.110 4.320 0.000 0.000 0.207 487 K C 2.144 178.333 176.600 -0.685 0.000 1.049 487 K CA 1.410 57.231 56.287 -0.776 0.000 0.933 487 K CB -0.748 31.459 32.500 -0.488 0.000 0.714 487 K HN 0.071 nan 8.250 nan 0.000 0.438 488 K N 1.132 121.173 120.400 -0.599 0.000 2.173 488 K HA -0.217 4.104 4.320 0.000 0.000 0.207 488 K C 1.969 178.149 176.600 -0.700 0.000 1.046 488 K CA 1.533 57.492 56.287 -0.546 0.000 0.929 488 K CB -0.047 32.163 32.500 -0.483 0.000 0.720 488 K HN 0.159 nan 8.250 nan 0.000 0.453 489 A N 0.534 122.804 122.820 -0.917 0.000 1.835 489 A HA -0.056 4.265 4.320 0.000 0.000 0.213 489 A C 2.242 179.251 177.584 -0.958 0.000 1.210 489 A CA 1.247 52.612 52.037 -1.119 0.000 0.605 489 A CB -0.800 17.588 19.000 -1.020 0.000 0.860 489 A HN 0.100 nan 8.150 nan 0.000 0.447 490 V N 0.773 120.082 119.914 -1.008 0.000 2.242 490 V HA -0.456 3.664 4.120 0.000 0.000 0.257 490 V C 2.451 178.216 176.094 -0.547 0.000 1.073 490 V CA 2.781 64.562 62.300 -0.864 0.000 1.058 490 V CB -1.050 30.133 31.823 -1.067 0.000 0.664 490 V HN 0.593 nan 8.190 nan 0.000 0.451 491 K N -0.416 119.702 120.400 -0.472 0.000 1.998 491 K HA -0.301 4.020 4.320 0.000 0.000 0.228 491 K C 2.111 178.588 176.600 -0.205 0.000 1.053 491 K CA 2.374 58.490 56.287 -0.285 0.000 0.988 491 K CB -0.414 31.934 32.500 -0.252 0.000 0.735 491 K HN 0.263 nan 8.250 nan 0.000 0.448 492 R N 0.031 120.380 120.500 -0.253 0.000 2.388 492 R HA -0.145 4.195 4.340 0.000 0.000 0.233 492 R C 1.708 178.070 176.300 0.104 0.000 1.156 492 R CA 1.292 57.348 56.100 -0.073 0.000 1.036 492 R CB -0.455 29.818 30.300 -0.045 0.000 0.847 492 R HN 0.368 nan 8.270 nan 0.000 0.483 493 A N -0.137 122.689 122.820 0.010 0.000 2.140 493 A HA 0.218 4.539 4.320 0.000 0.000 0.209 493 A C 0.639 178.281 177.584 0.097 0.000 1.181 493 A CA -0.228 51.870 52.037 0.102 0.000 0.824 493 A CB 0.050 19.073 19.000 0.039 0.000 0.879 493 A HN 0.119 nan 8.150 nan 0.000 0.480 494 M N -0.735 118.872 119.600 0.013 0.000 2.250 494 M HA 0.359 4.840 4.480 0.000 0.000 0.337 494 M C 0.788 177.175 176.300 0.145 0.000 1.161 494 M CA 0.846 56.175 55.300 0.049 0.000 1.088 494 M CB -0.635 31.971 32.600 0.009 0.000 1.639 494 M HN 0.976 nan 8.290 nan 0.000 0.447 495 A N 2.403 125.343 122.820 0.201 0.000 2.800 495 A HA -0.147 4.173 4.320 0.000 0.000 0.292 495 A C 0.704 178.400 177.584 0.187 0.000 1.474 495 A CA 1.076 53.232 52.037 0.199 0.000 0.744 495 A CB -2.329 16.744 19.000 0.121 0.000 1.044 495 A HN 1.129 nan 8.150 nan 0.000 0.489 496 W N 0.087 121.449 121.300 0.102 0.000 2.488 496 W HA 0.107 4.767 4.660 -0.000 0.000 0.304 496 W C 0.723 177.289 176.519 0.078 0.000 1.175 496 W CA 1.264 58.647 57.345 0.064 0.000 1.365 496 W CB -0.124 29.358 29.460 0.037 0.000 1.131 496 W HN 0.640 nan 8.180 nan 0.000 0.520 497 E N 2.618 122.877 120.200 0.099 0.000 2.465 497 E HA -0.093 4.257 4.350 0.000 0.000 0.260 497 E C -0.540 176.037 176.600 -0.038 0.000 0.980 497 E CA 0.512 56.956 56.400 0.074 0.000 0.927 497 E CB 0.439 30.359 29.700 0.366 0.000 0.934 497 E HN -0.131 nan 8.360 nan 0.000 0.459 498 E N 3.518 123.647 120.200 -0.118 0.000 2.166 498 E HA 0.103 4.453 4.350 0.000 0.000 0.279 498 E C -0.514 176.056 176.600 -0.050 0.000 1.095 498 E CA 0.103 56.418 56.400 -0.142 0.000 0.888 498 E CB 0.084 29.685 29.700 -0.165 0.000 1.041 498 E HN 0.584 nan 8.360 nan 0.000 0.414 499 H N 0.000 118.898 119.070 -0.286 0.000 2.539 499 H HA 0.000 4.556 4.556 0.000 0.000 0.296 499 H CA 0.000 55.916 56.048 -0.220 0.000 1.023 499 H CB 0.000 29.512 29.762 -0.417 0.000 1.292 499 H HN 0.000 nan 8.280 nan 0.000 0.496