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 2hdk_1_A DATA FIRST_RESID 3 DATA SEQUENCE SSFKAADLQL EMTQKPHKKP GPGEPLVFGK TFTDHMLMVE WNDKGWGQPR DATA SEQUENCE IQPFQNLTLH PASSSLHYSL QLFEGMKAFK GKDQQVRLFR PWLNMDRMLR DATA SEQUENCE SAMRLCLPSF DKLELLECIR RLIEVDKDWV PDAAGTSLYV RPVLIGNEPS DATA SEQUENCE LGVSQPRRAL LFVILCPVGA YFPGGSVTPV SLLADPAFIR AWVGGVGNYK DATA SEQUENCE LGGNYGPTVL VQQEALKRGC EQVLWLYGPD HQLTEVGTMN IFVYWTHEDG DATA SEQUENCE VLELVTPPLN GVILPGVVRQ SLLDMAQTWG EFRVVERTIT MKQLLRALEE DATA SEQUENCE GRVREVFGSG TAAQVAPVHR ILYKDRNLHI PTMENGPELI LRFQKELKEI DATA SEQUENCE QYGIRAHEWM FPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.821 174.600 0.368 0.000 1.055 3 S CA 0.000 58.330 58.200 0.217 0.000 1.107 3 S CB 0.000 63.296 63.200 0.160 0.000 0.593 4 S N 2.187 118.007 115.700 0.201 0.000 2.632 4 S HA 0.723 4.995 4.470 -0.329 0.000 0.267 4 S C 0.085 174.686 174.600 0.003 0.000 1.276 4 S CA -0.652 57.565 58.200 0.028 0.000 0.998 4 S CB -0.108 62.923 63.200 -0.283 0.000 0.953 4 S HN 0.645 nan 8.310 nan 0.000 0.547 5 F N 1.140 121.004 119.950 -0.144 0.000 2.444 5 F HA 0.638 4.967 4.527 -0.330 0.000 0.331 5 F C 0.114 175.879 175.800 -0.059 0.000 1.167 5 F CA -0.764 57.196 58.000 -0.067 0.000 1.262 5 F CB 0.211 39.110 39.000 -0.169 0.000 1.196 5 F HN 0.330 nan 8.300 nan 0.000 0.583 6 K N 0.682 121.194 120.400 0.188 0.000 2.324 6 K HA 0.620 4.743 4.320 -0.329 0.000 0.253 6 K C 0.332 177.022 176.600 0.149 0.000 0.932 6 K CA -0.531 55.813 56.287 0.094 0.000 0.799 6 K CB 1.996 34.535 32.500 0.064 0.000 1.154 6 K HN 0.705 nan 8.250 nan 0.000 0.425 7 A N 1.965 124.852 122.820 0.111 0.000 2.015 7 A HA -0.113 4.010 4.320 -0.329 0.000 0.219 7 A C 1.978 179.607 177.584 0.075 0.000 1.163 7 A CA 1.899 53.998 52.037 0.105 0.000 0.646 7 A CB -0.614 18.436 19.000 0.084 0.000 0.806 7 A HN 0.797 nan 8.150 nan 0.000 0.448 8 A N -0.238 122.621 122.820 0.064 0.000 2.070 8 A HA -0.104 4.018 4.320 -0.329 0.000 0.220 8 A C 1.234 178.850 177.584 0.053 0.000 1.159 8 A CA 1.534 53.602 52.037 0.052 0.000 0.656 8 A CB -0.294 18.732 19.000 0.045 0.000 0.800 8 A HN 0.402 nan 8.150 nan 0.000 0.453 9 D N -0.421 120.020 120.400 0.068 0.000 2.325 9 D HA 0.162 4.605 4.640 -0.329 0.000 0.225 9 D C 0.136 176.469 176.300 0.055 0.000 1.096 9 D CA -0.052 53.987 54.000 0.066 0.000 0.844 9 D CB -0.110 40.741 40.800 0.086 0.000 0.925 9 D HN 0.358 nan 8.370 nan 0.000 0.513 10 L N 1.369 122.622 121.223 0.049 0.000 2.559 10 L HA -0.040 4.103 4.340 -0.329 0.000 0.274 10 L C 0.511 177.395 176.870 0.022 0.000 1.205 10 L CA 0.345 55.204 54.840 0.032 0.000 0.907 10 L CB 0.518 42.594 42.059 0.028 0.000 1.153 10 L HN -0.145 nan 8.230 nan 0.000 0.490 11 Q N 3.628 123.438 119.800 0.015 0.000 2.271 11 Q HA 0.519 4.662 4.340 -0.329 0.000 0.258 11 Q C -1.260 174.746 176.000 0.010 0.000 0.936 11 Q CA -0.217 55.594 55.803 0.014 0.000 0.909 11 Q CB 1.743 30.489 28.738 0.015 0.000 1.253 11 Q HN 0.548 nan 8.270 nan 0.000 0.440 12 L N 2.740 123.969 121.223 0.010 0.000 2.334 12 L HA 0.591 4.734 4.340 -0.329 0.000 0.276 12 L C -0.760 176.122 176.870 0.021 0.000 1.014 12 L CA -0.359 54.486 54.840 0.007 0.000 0.815 12 L CB 1.576 43.630 42.059 -0.009 0.000 1.268 12 L HN 0.654 nan 8.230 nan 0.000 0.428 13 E N 4.922 125.147 120.200 0.042 0.000 2.432 13 E HA 0.228 4.380 4.350 -0.329 0.000 0.272 13 E C -1.251 175.422 176.600 0.122 0.000 0.937 13 E CA -0.593 55.843 56.400 0.061 0.000 0.812 13 E CB 1.236 30.966 29.700 0.050 0.000 1.377 13 E HN 0.476 nan 8.360 nan 0.000 0.399 14 M N 1.205 120.877 119.600 0.120 0.000 2.228 14 M HA 0.151 4.433 4.480 -0.329 0.000 0.326 14 M C 0.849 177.278 176.300 0.215 0.000 1.122 14 M CA -0.031 55.410 55.300 0.235 0.000 1.161 14 M CB 0.565 33.250 32.600 0.141 0.000 1.437 14 M HN 0.339 nan 8.290 nan 0.000 0.465 15 T N 0.749 115.464 114.554 0.267 0.000 2.907 15 T HA 0.112 4.265 4.350 -0.329 0.000 0.298 15 T C 0.921 175.651 174.700 0.049 0.000 1.017 15 T CA 0.134 62.259 62.100 0.042 0.000 1.118 15 T CB 0.589 69.360 68.868 -0.162 0.000 0.948 15 T HN 0.621 nan 8.240 nan 0.000 0.531 16 Q N 1.572 121.386 119.800 0.023 0.000 2.396 16 Q HA 0.140 4.283 4.340 -0.329 0.000 0.209 16 Q C 0.164 176.174 176.000 0.016 0.000 0.906 16 Q CA 0.444 56.262 55.803 0.024 0.000 0.927 16 Q CB 0.377 29.129 28.738 0.023 0.000 1.069 16 Q HN 0.598 nan 8.270 nan 0.000 0.523 17 K N 0.856 121.258 120.400 0.004 0.000 2.579 17 K HA 0.451 4.574 4.320 -0.329 0.000 0.225 17 K C -3.072 173.507 176.600 -0.034 0.000 0.992 17 K CA -1.813 54.480 56.287 0.010 0.000 1.018 17 K CB 1.601 34.124 32.500 0.038 0.000 1.249 17 K HN -0.226 nan 8.250 nan 0.000 0.489 18 P HA 0.153 nan 4.420 nan 0.000 0.277 18 P C -0.562 176.737 177.300 -0.002 0.000 1.240 18 P CA -0.161 62.893 63.100 -0.076 0.000 0.798 18 P CB 0.486 32.184 31.700 -0.004 0.000 0.979 19 H N 0.141 119.323 119.070 0.187 0.000 2.544 19 H HA 0.312 4.670 4.556 -0.329 0.000 0.365 19 H C 0.183 175.575 175.328 0.106 0.000 1.268 19 H CA -0.281 55.874 56.048 0.180 0.000 1.400 19 H CB 0.500 30.432 29.762 0.283 0.000 1.538 19 H HN 0.296 nan 8.280 nan 0.000 0.597 20 K N 1.064 121.581 120.400 0.194 0.000 2.205 20 K HA 0.181 4.304 4.320 -0.329 0.000 0.279 20 K C -0.298 176.280 176.600 -0.037 0.000 1.027 20 K CA -0.494 55.805 56.287 0.020 0.000 0.932 20 K CB 0.653 33.162 32.500 0.015 0.000 1.032 20 K HN 0.410 nan 8.250 nan 0.000 0.466 21 K N 3.971 124.206 120.400 -0.275 0.000 2.144 21 K HA 0.205 4.328 4.320 -0.329 0.000 0.270 21 K C -2.212 174.311 176.600 -0.130 0.000 1.005 21 K CA -1.768 54.291 56.287 -0.380 0.000 0.932 21 K CB 0.546 32.659 32.500 -0.646 0.000 1.021 21 K HN 0.466 nan 8.250 nan 0.000 0.462 22 P HA -0.200 nan 4.420 nan 0.000 0.169 22 P C -0.808 176.474 177.300 -0.029 0.000 0.878 22 P CA 1.093 64.183 63.100 -0.016 0.000 0.999 22 P CB -0.290 31.408 31.700 -0.004 0.000 1.234 23 G N 3.878 112.667 108.800 -0.019 0.000 2.380 23 G HA2 0.294 4.056 3.960 -0.329 0.000 0.305 23 G HA3 0.294 4.056 3.960 -0.329 0.000 0.305 23 G C -2.419 172.474 174.900 -0.011 0.000 1.672 23 G CA -0.868 44.221 45.100 -0.019 0.000 0.904 23 G HN 0.230 nan 8.290 nan 0.000 0.686 24 P HA 0.260 nan 4.420 nan 0.000 0.288 24 P C 0.583 177.877 177.300 -0.010 0.000 1.448 24 P CA 0.923 64.017 63.100 -0.010 0.000 0.764 24 P CB 0.029 31.724 31.700 -0.008 0.000 1.472 25 G N -0.200 108.593 108.800 -0.011 0.000 2.752 25 G HA2 0.151 3.914 3.960 -0.329 0.000 0.298 25 G HA3 0.151 3.914 3.960 -0.329 0.000 0.298 25 G C 0.185 175.079 174.900 -0.010 0.000 1.434 25 G CA -0.433 44.661 45.100 -0.011 0.000 1.004 25 G HN -0.184 nan 8.290 nan 0.000 0.560 26 E N 0.187 120.382 120.200 -0.009 0.000 2.274 26 E HA 0.009 4.162 4.350 -0.329 0.000 0.194 26 E C -1.274 175.323 176.600 -0.005 0.000 0.996 26 E CA 0.390 56.786 56.400 -0.006 0.000 0.840 26 E CB -0.615 29.081 29.700 -0.005 0.000 0.772 26 E HN 0.330 nan 8.360 nan 0.000 0.491 27 P HA 0.090 nan 4.420 nan 0.000 0.271 27 P C -0.607 176.682 177.300 -0.019 0.000 1.233 27 P CA 0.336 63.428 63.100 -0.014 0.000 0.764 27 P CB 0.387 32.077 31.700 -0.018 0.000 0.825 28 L N 4.145 125.359 121.223 -0.016 0.000 2.297 28 L HA 0.272 4.415 4.340 -0.329 0.000 0.277 28 L C -0.174 176.678 176.870 -0.030 0.000 1.040 28 L CA -0.919 53.904 54.840 -0.028 0.000 0.867 28 L CB 1.103 43.155 42.059 -0.012 0.000 1.244 28 L HN 0.110 nan 8.230 nan 0.000 0.433 29 V N 2.535 122.419 119.914 -0.050 0.000 2.614 29 V HA 0.048 3.971 4.120 -0.329 0.000 0.291 29 V C 0.282 176.346 176.094 -0.050 0.000 1.049 29 V CA -0.444 61.835 62.300 -0.034 0.000 1.038 29 V CB 0.861 32.657 31.823 -0.045 0.000 0.980 29 V HN 0.404 nan 8.190 nan 0.000 0.481 30 F N 4.249 124.123 119.950 -0.126 0.000 2.590 30 F HA 0.420 4.750 4.527 -0.327 0.000 0.389 30 F C 1.344 177.034 175.800 -0.183 0.000 1.049 30 F CA 0.813 58.716 58.000 -0.161 0.000 1.199 30 F CB -0.069 38.844 39.000 -0.145 0.000 1.058 30 F HN 0.887 nan 8.300 nan 0.000 0.556 31 G N 4.891 113.039 108.800 -1.087 0.000 2.225 31 G HA2 -0.371 3.392 3.960 -0.329 0.000 0.267 31 G HA3 -0.371 3.392 3.960 -0.329 0.000 0.267 31 G C 0.940 175.507 174.900 -0.555 0.000 1.024 31 G CA 0.646 45.203 45.100 -0.905 0.000 0.784 31 G HN 0.738 nan 8.290 nan 0.000 0.507 32 K N -0.914 119.172 120.400 -0.522 0.000 2.355 32 K HA 0.148 4.271 4.320 -0.329 0.000 0.198 32 K C 0.368 176.655 176.600 -0.521 0.000 1.039 32 K CA 0.546 56.618 56.287 -0.359 0.000 1.075 32 K CB 0.688 33.092 32.500 -0.161 0.000 0.870 32 K HN 0.304 nan 8.250 nan 0.000 0.540 33 T N 0.935 115.004 114.554 -0.808 0.000 2.812 33 T HA 0.464 4.617 4.350 -0.329 0.000 0.282 33 T C -0.898 173.176 174.700 -1.043 0.000 0.990 33 T CA -0.475 61.246 62.100 -0.632 0.000 0.960 33 T CB 0.722 69.413 68.868 -0.295 0.000 0.948 33 T HN -0.145 nan 8.240 nan 0.000 0.438 34 F N 1.489 121.164 119.950 -0.459 0.000 2.507 34 F HA 0.562 4.891 4.527 -0.331 0.000 0.327 34 F C 1.413 176.620 175.800 -0.988 0.000 1.068 34 F CA -1.033 56.541 58.000 -0.710 0.000 0.965 34 F CB 1.319 39.700 39.000 -1.032 0.000 1.192 34 F HN 0.551 nan 8.300 nan 0.000 0.476 35 T N -2.793 111.211 114.554 -0.918 0.000 2.729 35 T HA 0.118 4.271 4.350 -0.329 0.000 0.298 35 T C 0.643 174.871 174.700 -0.786 0.000 1.013 35 T CA -0.422 60.750 62.100 -1.546 0.000 0.957 35 T CB 0.584 68.678 68.868 -1.291 0.000 1.130 35 T HN 0.510 nan 8.240 nan 0.000 0.526 36 D N -0.133 119.939 120.400 -0.546 0.000 2.162 36 D HA 0.073 4.515 4.640 -0.329 0.000 0.203 36 D C 0.426 176.486 176.300 -0.399 0.000 0.967 36 D CA 1.235 55.037 54.000 -0.330 0.000 0.840 36 D CB -0.082 40.633 40.800 -0.141 0.000 0.972 36 D HN 0.634 nan 8.370 nan 0.000 0.482 37 H N -1.219 117.872 119.070 0.035 0.000 2.737 37 H HA 0.562 4.920 4.556 -0.329 0.000 0.358 37 H C 0.163 175.571 175.328 0.134 0.000 1.187 37 H CA -0.822 55.281 56.048 0.092 0.000 1.221 37 H CB 1.706 31.500 29.762 0.052 0.000 1.799 37 H HN -0.169 nan 8.280 nan 0.000 0.568 38 M N 0.654 120.375 119.600 0.202 0.000 2.575 38 M HA 0.488 4.771 4.480 -0.329 0.000 0.284 38 M C -1.838 174.504 176.300 0.071 0.000 1.253 38 M CA -1.295 54.080 55.300 0.125 0.000 0.861 38 M CB 2.448 35.062 32.600 0.024 0.000 1.733 38 M HN 0.398 nan 8.290 nan 0.000 0.462 39 L N 2.529 123.782 121.223 0.049 0.000 2.325 39 L HA 0.812 4.955 4.340 -0.329 0.000 0.279 39 L C -1.279 175.590 176.870 -0.002 0.000 1.054 39 L CA -0.079 54.761 54.840 -0.000 0.000 0.804 39 L CB 1.744 43.780 42.059 -0.038 0.000 1.200 39 L HN 0.955 nan 8.230 nan 0.000 0.436 40 M N 5.213 124.787 119.600 -0.044 0.000 2.271 40 M HA 0.667 4.949 4.480 -0.329 0.000 0.285 40 M C -1.969 174.280 176.300 -0.085 0.000 1.059 40 M CA -0.260 55.021 55.300 -0.032 0.000 0.940 40 M CB 1.879 34.457 32.600 -0.036 0.000 1.636 40 M HN 0.256 nan 8.290 nan 0.000 0.460 41 V N 3.146 123.016 119.914 -0.075 0.000 2.569 41 V HA 0.557 4.480 4.120 -0.329 0.000 0.301 41 V C -0.686 175.536 176.094 0.213 0.000 1.044 41 V CA -0.807 61.445 62.300 -0.079 0.000 0.874 41 V CB 1.717 33.202 31.823 -0.564 0.000 1.002 41 V HN 0.827 nan 8.190 nan 0.000 0.424 42 E N 2.485 122.825 120.200 0.233 0.000 2.214 42 E HA 0.525 4.677 4.350 -0.329 0.000 0.274 42 E C -1.532 175.229 176.600 0.269 0.000 0.977 42 E CA -0.570 55.962 56.400 0.220 0.000 0.827 42 E CB 2.613 32.373 29.700 0.100 0.000 1.130 42 E HN 0.696 nan 8.360 nan 0.000 0.394 43 W N 3.089 124.290 121.300 -0.165 0.000 2.915 43 W HA 0.286 4.751 4.660 -0.325 0.000 0.337 43 W C -0.826 175.534 176.519 -0.265 0.000 1.102 43 W CA -0.220 56.858 57.345 -0.444 0.000 1.224 43 W CB 1.041 29.846 29.460 -1.092 0.000 1.416 43 W HN 0.725 nan 8.180 nan 0.000 0.503 44 N N 0.953 119.053 118.700 -1.000 0.000 3.662 44 N HA 0.302 4.845 4.740 -0.329 0.000 0.343 44 N C 0.087 174.822 175.510 -1.293 0.000 1.583 44 N CA -0.234 52.240 53.050 -0.959 0.000 0.710 44 N CB 0.448 38.676 38.487 -0.432 0.000 2.746 44 N HN 0.249 nan 8.380 nan 0.000 0.577 45 D N -0.491 119.495 120.400 -0.689 0.000 2.149 45 D HA -0.086 4.356 4.640 -0.329 0.000 0.201 45 D C 0.788 176.861 176.300 -0.380 0.000 0.972 45 D CA 1.212 54.916 54.000 -0.494 0.000 0.835 45 D CB -0.087 40.547 40.800 -0.277 0.000 0.966 45 D HN 0.694 nan 8.370 nan 0.000 0.476 46 K N 0.695 120.905 120.400 -0.316 0.000 2.591 46 K HA 0.260 4.383 4.320 -0.329 0.000 0.197 46 K C 0.979 177.462 176.600 -0.196 0.000 1.026 46 K CA 0.368 56.539 56.287 -0.193 0.000 1.127 46 K CB 0.069 32.496 32.500 -0.121 0.000 0.871 46 K HN 0.047 nan 8.250 nan 0.000 0.507 47 G N 1.237 109.789 108.800 -0.412 0.000 2.542 47 G HA2 -0.294 3.469 3.960 -0.329 0.000 0.235 47 G HA3 -0.294 3.469 3.960 -0.329 0.000 0.235 47 G C -1.130 173.606 174.900 -0.272 0.000 1.286 47 G CA -0.330 44.571 45.100 -0.332 0.000 0.904 47 G HN 0.389 nan 8.290 nan 0.000 0.577 48 W N 1.156 122.614 121.300 0.262 0.000 2.202 48 W HA 0.514 4.975 4.660 -0.331 0.000 0.332 48 W C 1.192 177.812 176.519 0.168 0.000 1.263 48 W CA 0.590 58.142 57.345 0.343 0.000 1.223 48 W CB 0.816 30.589 29.460 0.522 0.000 1.128 48 W HN 0.890 nan 8.180 nan 0.000 0.573 49 G N 0.675 109.726 108.800 0.418 0.000 2.543 49 G HA2 0.249 4.011 3.960 -0.329 0.000 0.267 49 G HA3 0.249 4.011 3.960 -0.329 0.000 0.267 49 G C -1.183 173.848 174.900 0.219 0.000 1.406 49 G CA -0.765 44.470 45.100 0.225 0.000 1.048 49 G HN 0.469 nan 8.290 nan 0.000 0.548 50 Q N 0.603 120.476 119.800 0.121 0.000 2.267 50 Q HA 0.329 4.472 4.340 -0.329 0.000 0.255 50 Q C -2.240 173.770 176.000 0.015 0.000 0.923 50 Q CA -1.782 54.072 55.803 0.085 0.000 0.925 50 Q CB 1.496 30.272 28.738 0.063 0.000 1.195 50 Q HN 0.233 nan 8.270 nan 0.000 0.417 51 P HA 0.087 nan 4.420 nan 0.000 0.276 51 P C -1.400 175.865 177.300 -0.058 0.000 1.230 51 P CA 0.062 63.079 63.100 -0.138 0.000 0.776 51 P CB 0.618 32.199 31.700 -0.198 0.000 0.888 52 R N 2.845 123.310 120.500 -0.060 0.000 2.686 52 R HA 0.658 4.801 4.340 -0.329 0.000 0.286 52 R C -1.116 175.174 176.300 -0.016 0.000 0.969 52 R CA -1.011 55.075 56.100 -0.024 0.000 0.898 52 R CB 1.285 31.580 30.300 -0.009 0.000 1.183 52 R HN 0.297 nan 8.270 nan 0.000 0.456 53 I N 3.653 124.226 120.570 0.006 0.000 2.336 53 I HA 0.236 4.209 4.170 -0.329 0.000 0.292 53 I C -0.177 175.982 176.117 0.071 0.000 0.991 53 I CA -0.511 60.809 61.300 0.034 0.000 1.227 53 I CB 1.722 39.727 38.000 0.008 0.000 1.366 53 I HN 0.737 nan 8.210 nan 0.000 0.466 54 Q N 6.423 126.289 119.800 0.109 0.000 2.615 54 Q HA 0.646 4.789 4.340 -0.329 0.000 0.298 54 Q C -2.953 173.128 176.000 0.135 0.000 1.023 54 Q CA -2.243 53.626 55.803 0.110 0.000 0.768 54 Q CB 1.754 30.508 28.738 0.027 0.000 1.500 54 Q HN 0.165 nan 8.270 nan 0.000 0.441 55 P HA 0.067 nan 4.420 nan 0.000 0.272 55 P C -1.112 176.182 177.300 -0.010 0.000 1.223 55 P CA -0.239 62.822 63.100 -0.064 0.000 0.784 55 P CB 0.249 31.913 31.700 -0.059 0.000 0.923 56 F N 3.153 123.024 119.950 -0.131 0.000 2.571 56 F HA 0.065 4.394 4.527 -0.330 0.000 0.384 56 F C 0.780 176.548 175.800 -0.055 0.000 1.058 56 F CA 1.027 58.986 58.000 -0.068 0.000 1.200 56 F CB 0.044 39.050 39.000 0.010 0.000 1.077 56 F HN 0.270 nan 8.300 nan 0.000 0.558 57 Q N 3.940 123.494 119.800 -0.411 0.000 2.626 57 Q HA 0.441 4.584 4.340 -0.329 0.000 0.300 57 Q C -1.438 174.307 176.000 -0.426 0.000 0.988 57 Q CA -1.408 54.231 55.803 -0.274 0.000 0.761 57 Q CB 1.103 29.744 28.738 -0.161 0.000 1.494 57 Q HN 0.421 nan 8.270 nan 0.000 0.439 58 N N 0.479 119.017 118.700 -0.270 0.000 2.503 58 N HA 0.359 4.901 4.740 -0.329 0.000 0.267 58 N C -0.588 174.752 175.510 -0.282 0.000 1.214 58 N CA -0.120 52.763 53.050 -0.278 0.000 0.959 58 N CB 0.612 38.994 38.487 -0.174 0.000 1.142 58 N HN 0.433 nan 8.380 nan 0.000 0.455 59 L N 0.864 121.900 121.223 -0.312 0.000 2.350 59 L HA 0.306 4.449 4.340 -0.329 0.000 0.275 59 L C 0.456 177.220 176.870 -0.177 0.000 1.099 59 L CA -0.352 54.317 54.840 -0.285 0.000 0.808 59 L CB 0.820 42.659 42.059 -0.367 0.000 1.149 59 L HN 0.324 nan 8.230 nan 0.000 0.442 60 T N 4.581 119.055 114.554 -0.134 0.000 2.781 60 T HA 0.561 4.713 4.350 -0.329 0.000 0.305 60 T C -0.151 174.517 174.700 -0.053 0.000 1.001 60 T CA -0.351 61.698 62.100 -0.085 0.000 0.950 60 T CB 0.309 69.137 68.868 -0.068 0.000 0.955 60 T HN 0.269 nan 8.240 nan 0.000 0.471 61 L N 2.625 123.827 121.223 -0.036 0.000 2.362 61 L HA 0.460 4.602 4.340 -0.329 0.000 0.271 61 L C 0.376 177.277 176.870 0.053 0.000 1.002 61 L CA -1.273 53.575 54.840 0.014 0.000 0.818 61 L CB 1.680 43.745 42.059 0.010 0.000 1.298 61 L HN 0.588 nan 8.230 nan 0.000 0.420 62 H N 3.795 122.857 119.070 -0.014 0.000 2.764 62 H HA 0.101 4.459 4.556 -0.329 0.000 0.341 62 H C -1.928 173.407 175.328 0.012 0.000 1.072 62 H CA -1.233 54.811 56.048 -0.007 0.000 1.444 62 H CB 1.855 31.611 29.762 -0.011 0.000 1.458 62 H HN 0.321 nan 8.280 nan 0.000 0.572 63 P HA -0.085 nan 4.420 nan 0.000 0.223 63 P C 0.450 177.928 177.300 0.297 0.000 1.144 63 P CA 1.485 64.653 63.100 0.114 0.000 0.783 63 P CB 0.239 31.939 31.700 -0.000 0.000 0.771 64 A N -1.408 121.643 122.820 0.385 0.000 2.387 64 A HA 0.166 4.288 4.320 -0.329 0.000 0.234 64 A C 1.018 178.547 177.584 -0.092 0.000 1.253 64 A CA -0.055 51.999 52.037 0.028 0.000 0.894 64 A CB -0.707 18.293 19.000 0.000 0.000 0.963 64 A HN 0.121 nan 8.150 nan 0.000 0.508 65 S N 1.034 116.791 115.700 0.095 0.000 2.626 65 S HA 0.052 4.325 4.470 -0.329 0.000 0.303 65 S C 1.619 176.262 174.600 0.072 0.000 1.256 65 S CA 0.441 58.678 58.200 0.062 0.000 1.069 65 S CB 0.277 63.535 63.200 0.097 0.000 0.807 65 S HN 0.815 nan 8.310 nan 0.000 0.500 66 S N 3.572 119.294 115.700 0.038 0.000 2.469 66 S HA -0.118 4.154 4.470 -0.329 0.000 0.238 66 S C 1.904 176.561 174.600 0.095 0.000 0.998 66 S CA 0.970 59.213 58.200 0.070 0.000 0.957 66 S CB -0.653 62.639 63.200 0.152 0.000 0.764 66 S HN 0.928 nan 8.310 nan 0.000 0.514 67 S N 1.969 117.726 115.700 0.094 0.000 2.423 67 S HA 0.137 4.410 4.470 -0.329 0.000 0.231 67 S C 1.648 176.287 174.600 0.065 0.000 1.014 67 S CA 0.638 58.893 58.200 0.091 0.000 0.965 67 S CB -0.663 62.594 63.200 0.096 0.000 0.785 67 S HN 0.560 nan 8.310 nan 0.000 0.495 68 L N -0.243 121.015 121.223 0.058 0.000 2.513 68 L HA 0.249 4.391 4.340 -0.329 0.000 0.222 68 L C 2.456 179.204 176.870 -0.203 0.000 1.096 68 L CA 0.540 55.361 54.840 -0.033 0.000 0.857 68 L CB -0.298 41.748 42.059 -0.021 0.000 1.026 68 L HN 0.415 nan 8.230 nan 0.000 0.469 69 H N -1.813 117.090 119.070 -0.278 0.000 2.430 69 H HA 0.105 4.464 4.556 -0.329 0.000 0.297 69 H C 0.764 175.784 175.328 -0.514 0.000 1.016 69 H CA 0.736 56.457 56.048 -0.546 0.000 1.294 69 H CB 0.711 29.852 29.762 -1.035 0.000 1.465 69 H HN 0.193 nan 8.280 nan 0.000 0.547 70 Y N 0.472 120.877 120.300 0.174 0.000 2.636 70 Y HA 0.261 4.613 4.550 -0.331 0.000 0.260 70 Y C 0.998 176.948 175.900 0.083 0.000 1.177 70 Y CA -0.598 57.566 58.100 0.107 0.000 1.209 70 Y CB 0.548 39.059 38.460 0.086 0.000 1.166 70 Y HN -0.031 nan 8.280 nan 0.000 0.531 71 S N 0.778 116.569 115.700 0.152 0.000 3.614 71 S HA -0.203 4.070 4.470 -0.329 0.000 0.360 71 S C -0.086 174.588 174.600 0.124 0.000 1.023 71 S CA 0.052 58.328 58.200 0.127 0.000 1.114 71 S CB -1.506 61.770 63.200 0.127 0.000 0.907 71 S HN 0.467 nan 8.310 nan 0.000 0.470 72 L N 2.408 123.705 121.223 0.125 0.000 2.395 72 L HA 0.321 4.464 4.340 -0.329 0.000 0.268 72 L C 0.542 177.466 176.870 0.090 0.000 1.223 72 L CA 0.163 55.061 54.840 0.097 0.000 1.093 72 L CB -0.169 41.951 42.059 0.101 0.000 1.349 72 L HN 0.541 nan 8.230 nan 0.000 0.427 73 Q N 3.922 123.778 119.800 0.093 0.000 2.353 73 Q HA 0.726 4.868 4.340 -0.329 0.000 0.275 73 Q C -1.650 174.426 176.000 0.126 0.000 1.029 73 Q CA -1.040 54.828 55.803 0.108 0.000 0.848 73 Q CB 2.701 31.514 28.738 0.126 0.000 1.390 73 Q HN 0.281 nan 8.270 nan 0.000 0.401 74 L N -0.437 120.857 121.223 0.118 0.000 2.409 74 L HA 0.872 5.015 4.340 -0.329 0.000 0.255 74 L C -1.488 175.473 176.870 0.153 0.000 1.027 74 L CA -0.978 53.928 54.840 0.111 0.000 0.834 74 L CB 1.646 43.714 42.059 0.015 0.000 1.426 74 L HN 0.910 nan 8.230 nan 0.000 0.411 75 F N -1.331 118.593 119.950 -0.045 0.000 2.685 75 F HA 0.925 5.253 4.527 -0.332 0.000 0.315 75 F C -0.787 174.968 175.800 -0.074 0.000 1.126 75 F CA -0.561 57.381 58.000 -0.097 0.000 0.950 75 F CB 1.491 40.427 39.000 -0.107 0.000 1.360 75 F HN 0.565 nan 8.300 nan 0.000 0.469 76 E N -0.104 120.106 120.200 0.017 0.000 2.423 76 E HA 0.756 4.908 4.350 -0.329 0.000 0.269 76 E C -1.280 175.342 176.600 0.038 0.000 0.948 76 E CA -1.026 55.327 56.400 -0.079 0.000 0.802 76 E CB 2.109 31.743 29.700 -0.110 0.000 1.339 76 E HN 1.097 nan 8.360 nan 0.000 0.445 77 G N 1.073 109.840 108.800 -0.055 0.000 2.552 77 G HA2 0.548 4.310 3.960 -0.329 0.000 0.288 77 G HA3 0.548 4.310 3.960 -0.329 0.000 0.288 77 G C -0.679 174.109 174.900 -0.187 0.000 1.358 77 G CA -0.524 44.467 45.100 -0.183 0.000 1.305 77 G HN 0.297 nan 8.290 nan 0.000 0.602 78 M N 0.340 119.716 119.600 -0.373 0.000 2.683 78 M HA 0.749 5.032 4.480 -0.329 0.000 0.274 78 M C -1.595 174.579 176.300 -0.211 0.000 1.272 78 M CA -1.120 54.077 55.300 -0.173 0.000 0.833 78 M CB 2.426 34.948 32.600 -0.130 0.000 1.708 78 M HN 0.216 nan 8.290 nan 0.000 0.463 79 K N 0.677 121.024 120.400 -0.089 0.000 2.259 79 K HA 0.870 4.993 4.320 -0.329 0.000 0.249 79 K C -1.301 175.146 176.600 -0.256 0.000 0.942 79 K CA -0.739 55.402 56.287 -0.243 0.000 0.816 79 K CB 2.579 34.807 32.500 -0.453 0.000 1.155 79 K HN 0.807 nan 8.250 nan 0.000 0.428 80 A N 2.519 125.125 122.820 -0.356 0.000 2.342 80 A HA 0.772 4.895 4.320 -0.329 0.000 0.323 80 A C -1.350 176.033 177.584 -0.335 0.000 1.125 80 A CA -0.567 51.374 52.037 -0.160 0.000 0.785 80 A CB 0.312 19.282 19.000 -0.050 0.000 1.221 80 A HN 0.557 nan 8.150 nan 0.000 0.463 81 F N 0.656 120.607 119.950 0.002 0.000 2.551 81 F HA 0.550 4.878 4.527 -0.331 0.000 0.316 81 F C 0.296 176.131 175.800 0.060 0.000 1.089 81 F CA -0.572 57.406 58.000 -0.037 0.000 0.915 81 F CB 2.479 41.274 39.000 -0.342 0.000 1.186 81 F HN 0.552 nan 8.300 nan 0.000 0.456 82 K N 1.663 122.270 120.400 0.346 0.000 2.240 82 K HA 0.662 4.784 4.320 -0.329 0.000 0.271 82 K C 0.113 176.940 176.600 0.379 0.000 1.018 82 K CA -0.347 56.109 56.287 0.282 0.000 0.874 82 K CB 0.996 33.621 32.500 0.207 0.000 1.098 82 K HN 0.835 nan 8.250 nan 0.000 0.458 83 G N 2.266 111.241 108.800 0.293 0.000 2.557 83 G HA2 0.099 3.862 3.960 -0.329 0.000 0.292 83 G HA3 0.099 3.862 3.960 -0.329 0.000 0.292 83 G C 0.242 175.245 174.900 0.171 0.000 1.237 83 G CA -0.549 44.722 45.100 0.285 0.000 0.978 83 G HN 0.598 nan 8.290 nan 0.000 0.498 84 K N 0.422 120.897 120.400 0.125 0.000 2.152 84 K HA -0.095 4.027 4.320 -0.329 0.000 0.206 84 K C 1.749 178.388 176.600 0.066 0.000 1.048 84 K CA 1.373 57.704 56.287 0.073 0.000 0.933 84 K CB -0.158 32.371 32.500 0.048 0.000 0.721 84 K HN 0.702 nan 8.250 nan 0.000 0.447 85 D N 0.939 121.383 120.400 0.073 0.000 2.332 85 D HA -0.089 4.354 4.640 -0.329 0.000 0.244 85 D C 0.069 176.405 176.300 0.061 0.000 1.136 85 D CA 0.123 54.159 54.000 0.059 0.000 0.884 85 D CB 0.109 40.944 40.800 0.058 0.000 0.906 85 D HN -0.013 nan 8.370 nan 0.000 0.520 86 Q N -1.148 118.695 119.800 0.073 0.000 2.332 86 Q HA -0.219 3.924 4.340 -0.329 0.000 0.222 86 Q C -0.363 175.682 176.000 0.076 0.000 0.758 86 Q CA 0.948 56.794 55.803 0.072 0.000 1.355 86 Q CB -1.877 26.892 28.738 0.051 0.000 1.705 86 Q HN 0.617 nan 8.270 nan 0.000 0.638 87 Q N 0.672 120.521 119.800 0.081 0.000 2.294 87 Q HA 0.367 4.509 4.340 -0.329 0.000 0.257 87 Q C -0.084 175.977 176.000 0.100 0.000 0.955 87 Q CA -0.196 55.652 55.803 0.074 0.000 0.936 87 Q CB 1.413 30.187 28.738 0.060 0.000 1.188 87 Q HN -0.004 nan 8.270 nan 0.000 0.420 88 V N 4.781 124.749 119.914 0.089 0.000 2.461 88 V HA 0.312 4.235 4.120 -0.329 0.000 0.275 88 V C 0.216 176.371 176.094 0.102 0.000 1.047 88 V CA -0.145 62.221 62.300 0.109 0.000 0.955 88 V CB 0.815 32.694 31.823 0.094 0.000 0.988 88 V HN 0.635 nan 8.190 nan 0.000 0.471 89 R N 4.296 124.886 120.500 0.150 0.000 2.807 89 R HA 0.733 4.876 4.340 -0.329 0.000 0.276 89 R C -1.348 175.091 176.300 0.232 0.000 0.979 89 R CA -0.852 55.348 56.100 0.166 0.000 0.928 89 R CB 2.211 32.612 30.300 0.168 0.000 1.191 89 R HN 0.530 nan 8.270 nan 0.000 0.471 90 L N 2.009 123.369 121.223 0.228 0.000 2.325 90 L HA 0.450 4.592 4.340 -0.329 0.000 0.278 90 L C -0.716 176.276 176.870 0.203 0.000 1.023 90 L CA -0.742 54.214 54.840 0.193 0.000 0.811 90 L CB 1.143 43.253 42.059 0.085 0.000 1.249 90 L HN 0.476 nan 8.230 nan 0.000 0.431 91 F N 3.693 123.702 119.950 0.098 0.000 2.421 91 F HA 0.314 4.641 4.527 -0.332 0.000 0.358 91 F C 0.805 176.552 175.800 -0.089 0.000 1.115 91 F CA -0.568 57.473 58.000 0.069 0.000 1.160 91 F CB 0.102 39.201 39.000 0.164 0.000 1.123 91 F HN 0.446 nan 8.300 nan 0.000 0.508 92 R N 4.829 124.915 120.500 -0.691 0.000 3.118 92 R HA -0.179 3.964 4.340 -0.329 0.000 0.238 92 R C -1.982 174.016 176.300 -0.503 0.000 0.884 92 R CA 0.551 56.305 56.100 -0.577 0.000 0.601 92 R CB -1.396 28.410 30.300 -0.824 0.000 1.009 92 R HN 0.544 nan 8.270 nan 0.000 0.478 93 P HA -0.187 nan 4.420 nan 0.000 0.225 93 P C 1.052 178.012 177.300 -0.568 0.000 1.148 93 P CA 1.016 63.719 63.100 -0.661 0.000 0.779 93 P CB -0.110 31.121 31.700 -0.781 0.000 0.780 94 W N 0.302 121.468 121.300 -0.222 0.000 2.358 94 W HA -0.045 4.416 4.660 -0.331 0.000 0.303 94 W C 2.277 178.708 176.519 -0.147 0.000 1.208 94 W CA 0.455 57.691 57.345 -0.181 0.000 1.274 94 W CB -1.346 28.022 29.460 -0.152 0.000 1.138 94 W HN -0.047 nan 8.180 nan 0.000 0.515 95 L N 0.559 121.825 121.223 0.070 0.000 2.042 95 L HA -0.248 3.895 4.340 -0.329 0.000 0.210 95 L C 2.212 179.053 176.870 -0.047 0.000 1.076 95 L CA 1.368 56.200 54.840 -0.013 0.000 0.749 95 L CB -1.113 40.903 42.059 -0.071 0.000 0.893 95 L HN 0.062 nan 8.230 nan 0.000 0.432 96 N N -0.179 118.471 118.700 -0.083 0.000 2.142 96 N HA -0.138 4.404 4.740 -0.329 0.000 0.186 96 N C 1.895 177.376 175.510 -0.048 0.000 1.023 96 N CA 1.236 54.236 53.050 -0.083 0.000 0.852 96 N CB -0.073 38.342 38.487 -0.120 0.000 0.998 96 N HN 0.295 nan 8.380 nan 0.000 0.424 97 M N 1.301 120.874 119.600 -0.046 0.000 2.159 97 M HA -0.102 4.181 4.480 -0.329 0.000 0.263 97 M C 1.238 177.562 176.300 0.041 0.000 1.063 97 M CA 1.234 56.551 55.300 0.028 0.000 1.110 97 M CB -0.938 31.668 32.600 0.009 0.000 1.374 97 M HN 0.060 nan 8.290 nan 0.000 0.411 98 D N -0.454 119.949 120.400 0.005 0.000 2.144 98 D HA -0.126 4.316 4.640 -0.329 0.000 0.200 98 D C 2.141 178.431 176.300 -0.017 0.000 0.978 98 D CA 0.945 54.934 54.000 -0.019 0.000 0.833 98 D CB -0.230 40.557 40.800 -0.021 0.000 0.961 98 D HN 0.356 nan 8.370 nan 0.000 0.470 99 R N 0.126 120.617 120.500 -0.016 0.000 2.092 99 R HA -0.008 4.135 4.340 -0.329 0.000 0.231 99 R C 2.325 178.635 176.300 0.016 0.000 1.119 99 R CA 0.687 56.777 56.100 -0.016 0.000 0.970 99 R CB -0.114 30.155 30.300 -0.051 0.000 0.864 99 R HN 0.102 nan 8.270 nan 0.000 0.440 100 M N 0.069 119.695 119.600 0.042 0.000 2.132 100 M HA -0.162 4.121 4.480 -0.329 0.000 0.263 100 M C 1.915 178.312 176.300 0.161 0.000 1.065 100 M CA 1.330 56.698 55.300 0.114 0.000 1.122 100 M CB -0.030 32.681 32.600 0.185 0.000 1.365 100 M HN 0.233 nan 8.290 nan 0.000 0.411 101 L N 0.399 121.664 121.223 0.069 0.000 2.012 101 L HA -0.202 3.941 4.340 -0.329 0.000 0.210 101 L C 2.393 179.208 176.870 -0.091 0.000 1.073 101 L CA 1.928 56.662 54.840 -0.176 0.000 0.748 101 L CB -0.676 41.173 42.059 -0.349 0.000 0.891 101 L HN 0.240 nan 8.230 nan 0.000 0.431 102 R N -1.333 119.153 120.500 -0.022 0.000 2.096 102 R HA -0.124 4.018 4.340 -0.329 0.000 0.235 102 R C 2.339 178.657 176.300 0.030 0.000 1.127 102 R CA 1.603 57.730 56.100 0.045 0.000 0.968 102 R CB -0.214 30.157 30.300 0.120 0.000 0.861 102 R HN 0.383 nan 8.270 nan 0.000 0.440 103 S N -0.212 115.516 115.700 0.046 0.000 2.387 103 S HA -0.066 4.207 4.470 -0.329 0.000 0.226 103 S C 1.883 176.414 174.600 -0.115 0.000 1.026 103 S CA 0.959 59.129 58.200 -0.050 0.000 0.972 103 S CB -0.083 63.124 63.200 0.013 0.000 0.814 103 S HN 0.530 nan 8.310 nan 0.000 0.477 104 A N 1.713 124.513 122.820 -0.033 0.000 1.902 104 A HA -0.056 4.066 4.320 -0.329 0.000 0.217 104 A C 2.135 179.660 177.584 -0.098 0.000 1.181 104 A CA 1.405 53.429 52.037 -0.021 0.000 0.623 104 A CB -0.602 18.448 19.000 0.083 0.000 0.818 104 A HN 0.463 nan 8.150 nan 0.000 0.443 105 M N -1.574 117.952 119.600 -0.124 0.000 2.159 105 M HA -0.122 4.161 4.480 -0.329 0.000 0.263 105 M C 2.299 178.494 176.300 -0.176 0.000 1.063 105 M CA 1.737 56.955 55.300 -0.137 0.000 1.110 105 M CB -0.256 32.274 32.600 -0.117 0.000 1.374 105 M HN 0.352 nan 8.290 nan 0.000 0.411 106 R N 1.070 121.399 120.500 -0.284 0.000 2.148 106 R HA 0.020 4.163 4.340 -0.329 0.000 0.227 106 R C 1.372 177.517 176.300 -0.258 0.000 1.103 106 R CA 1.258 57.127 56.100 -0.386 0.000 0.983 106 R CB -0.420 29.342 30.300 -0.897 0.000 0.874 106 R HN 0.379 nan 8.270 nan 0.000 0.451 107 L N -0.832 120.272 121.223 -0.198 0.000 2.607 107 L HA 0.118 4.261 4.340 -0.329 0.000 0.228 107 L C 0.065 176.882 176.870 -0.088 0.000 1.123 107 L CA -0.173 54.595 54.840 -0.119 0.000 0.890 107 L CB 0.106 42.116 42.059 -0.081 0.000 1.103 107 L HN 0.222 nan 8.230 nan 0.000 0.468 108 C N 0.564 119.801 119.300 -0.105 0.000 4.454 108 C HA -0.180 4.082 4.460 -0.329 0.000 0.298 108 C C 0.860 175.774 174.990 -0.128 0.000 1.384 108 C CA -0.172 58.786 59.018 -0.099 0.000 2.002 108 C CB -3.273 24.427 27.740 -0.066 0.000 1.249 108 C HN 0.342 nan 8.230 nan 0.000 0.783 109 L N 1.958 123.097 121.223 -0.140 0.000 2.399 109 L HA 0.514 4.657 4.340 -0.329 0.000 0.265 109 L C -1.215 175.472 176.870 -0.305 0.000 1.089 109 L CA -1.556 53.166 54.840 -0.195 0.000 0.802 109 L CB 0.646 42.655 42.059 -0.083 0.000 1.180 109 L HN 0.053 nan 8.230 nan 0.000 0.454 110 P HA 0.049 nan 4.420 nan 0.000 0.268 110 P C -0.569 176.695 177.300 -0.060 0.000 1.205 110 P CA -0.189 62.504 63.100 -0.678 0.000 0.771 110 P CB 0.959 31.541 31.700 -1.864 0.000 0.858 111 S N 1.800 117.479 115.700 -0.035 0.000 2.589 111 S HA 0.501 4.774 4.470 -0.329 0.000 0.265 111 S C 0.178 174.947 174.600 0.281 0.000 1.342 111 S CA -0.009 58.172 58.200 -0.033 0.000 1.005 111 S CB -0.309 62.836 63.200 -0.093 0.000 0.909 111 S HN 0.521 nan 8.310 nan 0.000 0.555 112 F N -1.135 118.846 119.950 0.051 0.000 2.715 112 F HA 0.548 4.876 4.527 -0.332 0.000 0.318 112 F C -0.929 174.691 175.800 -0.299 0.000 1.141 112 F CA -1.365 56.494 58.000 -0.236 0.000 0.950 112 F CB 0.775 39.536 39.000 -0.398 0.000 1.374 112 F HN 0.358 nan 8.300 nan 0.000 0.477 113 D N 1.336 121.563 120.400 -0.288 0.000 2.280 113 D HA 0.217 4.660 4.640 -0.329 0.000 0.243 113 D C 0.369 176.623 176.300 -0.076 0.000 1.129 113 D CA -0.175 53.692 54.000 -0.222 0.000 0.848 113 D CB 1.726 42.385 40.800 -0.235 0.000 1.107 113 D HN 0.688 nan 8.370 nan 0.000 0.471 114 K N 2.707 123.075 120.400 -0.053 0.000 2.063 114 K HA -0.119 4.003 4.320 -0.329 0.000 0.208 114 K C 1.898 178.508 176.600 0.017 0.000 1.048 114 K CA 1.093 57.409 56.287 0.050 0.000 0.928 114 K CB 0.169 32.668 32.500 -0.002 0.000 0.713 114 K HN 0.510 nan 8.250 nan 0.000 0.442 115 L N 0.804 122.020 121.223 -0.011 0.000 2.156 115 L HA -0.114 4.029 4.340 -0.329 0.000 0.208 115 L C 2.271 179.130 176.870 -0.018 0.000 1.095 115 L CA 0.731 55.573 54.840 0.003 0.000 0.770 115 L CB -0.274 41.806 42.059 0.034 0.000 0.914 115 L HN 0.131 nan 8.230 nan 0.000 0.439 116 E N 0.209 120.366 120.200 -0.073 0.000 2.107 116 E HA -0.180 3.973 4.350 -0.329 0.000 0.191 116 E C 2.130 178.712 176.600 -0.031 0.000 0.982 116 E CA 0.918 57.263 56.400 -0.093 0.000 0.809 116 E CB -0.217 29.324 29.700 -0.265 0.000 0.756 116 E HN 0.269 nan 8.360 nan 0.000 0.459 117 L N 0.914 122.105 121.223 -0.053 0.000 2.056 117 L HA -0.112 4.031 4.340 -0.329 0.000 0.207 117 L C 2.254 179.111 176.870 -0.021 0.000 1.078 117 L CA 1.138 55.999 54.840 0.036 0.000 0.749 117 L CB -0.617 41.408 42.059 -0.057 0.000 0.901 117 L HN 0.085 nan 8.230 nan 0.000 0.433 118 L N -0.289 120.892 121.223 -0.069 0.000 2.046 118 L HA -0.194 3.949 4.340 -0.329 0.000 0.208 118 L C 2.483 179.321 176.870 -0.053 0.000 1.077 118 L CA 1.969 56.715 54.840 -0.158 0.000 0.747 118 L CB -0.826 41.049 42.059 -0.306 0.000 0.896 118 L HN 0.422 nan 8.230 nan 0.000 0.432 119 E N -0.914 119.301 120.200 0.026 0.000 2.077 119 E HA -0.190 3.963 4.350 -0.329 0.000 0.193 119 E C 2.243 178.890 176.600 0.079 0.000 0.989 119 E CA 1.806 58.266 56.400 0.100 0.000 0.800 119 E CB -0.622 29.136 29.700 0.097 0.000 0.746 119 E HN 0.607 nan 8.360 nan 0.000 0.452 120 C N -0.007 119.331 119.300 0.064 0.000 2.435 120 C HA 0.014 4.276 4.460 -0.329 0.000 0.279 120 C C 2.628 177.629 174.990 0.019 0.000 1.321 120 C CA 0.392 59.439 59.018 0.049 0.000 1.752 120 C CB -0.966 26.811 27.740 0.061 0.000 1.959 120 C HN 0.440 nan 8.230 nan 0.000 0.500 121 I N 0.328 120.898 120.570 -0.000 0.000 2.286 121 I HA -0.163 3.810 4.170 -0.329 0.000 0.245 121 I C 2.898 179.027 176.117 0.021 0.000 1.104 121 I CA 1.214 62.502 61.300 -0.020 0.000 1.397 121 I CB -0.586 37.370 38.000 -0.073 0.000 1.072 121 I HN 0.291 nan 8.210 nan 0.000 0.417 122 R N 0.947 121.489 120.500 0.070 0.000 2.096 122 R HA -0.195 3.948 4.340 -0.329 0.000 0.240 122 R C 2.524 178.869 176.300 0.076 0.000 1.139 122 R CA 1.525 57.704 56.100 0.133 0.000 0.952 122 R CB -0.089 30.366 30.300 0.258 0.000 0.854 122 R HN 0.213 nan 8.270 nan 0.000 0.436 123 R N 0.586 121.121 120.500 0.059 0.000 2.091 123 R HA -0.166 3.976 4.340 -0.329 0.000 0.238 123 R C 2.304 178.614 176.300 0.016 0.000 1.136 123 R CA 1.064 57.184 56.100 0.033 0.000 0.959 123 R CB -0.996 29.320 30.300 0.027 0.000 0.856 123 R HN 0.279 nan 8.270 nan 0.000 0.437 124 L N 1.041 122.274 121.223 0.017 0.000 2.046 124 L HA -0.081 4.062 4.340 -0.329 0.000 0.208 124 L C 2.162 179.050 176.870 0.030 0.000 1.077 124 L CA 1.566 56.416 54.840 0.017 0.000 0.747 124 L CB -0.347 41.724 42.059 0.021 0.000 0.896 124 L HN 0.053 nan 8.230 nan 0.000 0.432 125 I N -0.538 120.053 120.570 0.035 0.000 2.315 125 I HA -0.258 3.715 4.170 -0.329 0.000 0.248 125 I C 2.480 178.632 176.117 0.058 0.000 1.117 125 I CA 1.432 62.761 61.300 0.048 0.000 1.404 125 I CB -0.401 37.627 38.000 0.046 0.000 1.071 125 I HN 0.417 nan 8.210 nan 0.000 0.419 126 E N 1.005 121.231 120.200 0.044 0.000 2.077 126 E HA -0.184 3.969 4.350 -0.329 0.000 0.193 126 E C 2.243 178.862 176.600 0.030 0.000 0.989 126 E CA 1.343 57.765 56.400 0.036 0.000 0.800 126 E CB 0.153 29.868 29.700 0.024 0.000 0.746 126 E HN 0.259 nan 8.360 nan 0.000 0.452 127 V N 1.188 121.104 119.914 0.004 0.000 2.515 127 V HA -0.163 3.760 4.120 -0.329 0.000 0.250 127 V C 0.923 177.050 176.094 0.055 0.000 1.058 127 V CA 1.801 64.076 62.300 -0.041 0.000 1.064 127 V CB -0.204 31.512 31.823 -0.177 0.000 0.675 127 V HN 0.232 nan 8.190 nan 0.000 0.461 128 D N -1.015 119.462 120.400 0.128 0.000 2.463 128 D HA 0.098 4.541 4.640 -0.329 0.000 0.224 128 D C 1.685 178.158 176.300 0.288 0.000 1.174 128 D CA 0.003 54.175 54.000 0.287 0.000 0.829 128 D CB 0.266 41.186 40.800 0.199 0.000 0.993 128 D HN 0.289 nan 8.370 nan 0.000 0.497 129 K N 0.588 121.092 120.400 0.174 0.000 2.113 129 K HA -0.162 3.960 4.320 -0.329 0.000 0.208 129 K C 0.931 177.620 176.600 0.148 0.000 1.047 129 K CA 1.123 57.492 56.287 0.137 0.000 0.928 129 K CB 0.269 32.821 32.500 0.086 0.000 0.716 129 K HN 0.019 nan 8.250 nan 0.000 0.446 130 D N -0.850 119.633 120.400 0.138 0.000 2.309 130 D HA -0.151 4.291 4.640 -0.329 0.000 0.212 130 D C 1.097 177.423 176.300 0.042 0.000 0.968 130 D CA 0.871 54.896 54.000 0.042 0.000 0.882 130 D CB -0.064 40.700 40.800 -0.060 0.000 0.918 130 D HN 0.395 nan 8.370 nan 0.000 0.503 131 W N 0.859 122.175 121.300 0.027 0.000 2.905 131 W HA 0.061 4.525 4.660 -0.327 0.000 0.251 131 W C 0.528 177.055 176.519 0.013 0.000 1.305 131 W CA -0.108 57.247 57.345 0.017 0.000 1.465 131 W CB 0.039 29.509 29.460 0.017 0.000 1.122 131 W HN -0.317 nan 8.180 nan 0.000 0.659 132 V N 4.084 124.141 119.914 0.237 0.000 2.421 132 V HA 0.066 3.989 4.120 -0.329 0.000 0.271 132 V C -1.623 174.551 176.094 0.134 0.000 1.031 132 V CA -1.669 60.725 62.300 0.156 0.000 1.032 132 V CB -0.449 31.449 31.823 0.125 0.000 1.009 132 V HN -0.249 nan 8.190 nan 0.000 0.477 133 P HA 0.167 nan 4.420 nan 0.000 0.272 133 P C 0.205 177.582 177.300 0.129 0.000 1.230 133 P CA -0.247 62.917 63.100 0.108 0.000 0.788 133 P CB 0.639 32.399 31.700 0.100 0.000 0.949 134 D N -0.743 119.717 120.400 0.101 0.000 2.474 134 D HA 0.112 4.555 4.640 -0.329 0.000 0.213 134 D C 0.449 176.789 176.300 0.068 0.000 1.120 134 D CA -0.152 53.913 54.000 0.109 0.000 0.836 134 D CB 0.068 40.918 40.800 0.082 0.000 1.019 134 D HN 0.332 nan 8.370 nan 0.000 0.507 135 A N 1.154 124.006 122.820 0.054 0.000 2.429 135 A HA 0.460 4.583 4.320 -0.329 0.000 0.242 135 A C 0.702 178.285 177.584 -0.002 0.000 1.088 135 A CA 0.204 52.254 52.037 0.021 0.000 0.784 135 A CB 0.087 19.104 19.000 0.028 0.000 1.038 135 A HN 0.347 nan 8.150 nan 0.000 0.501 136 A N -0.077 122.718 122.820 -0.042 0.000 2.522 136 A HA 0.483 4.605 4.320 -0.329 0.000 0.256 136 A C 1.603 179.193 177.584 0.010 0.000 1.086 136 A CA 0.769 52.752 52.037 -0.090 0.000 0.763 136 A CB -1.096 17.862 19.000 -0.070 0.000 1.024 136 A HN 2.750 nan 8.150 nan 0.000 0.502 137 G N 2.142 110.974 108.800 0.052 0.000 2.179 137 G HA2 -0.214 3.549 3.960 -0.329 0.000 0.260 137 G HA3 -0.214 3.549 3.960 -0.329 0.000 0.260 137 G C 0.586 175.669 174.900 0.305 0.000 0.977 137 G CA 1.162 46.407 45.100 0.242 0.000 0.641 137 G HN 2.033 nan 8.290 nan 0.000 0.533 138 T N -1.101 113.618 114.554 0.276 0.000 2.902 138 T HA 0.815 4.967 4.350 -0.329 0.000 0.280 138 T C 0.245 175.104 174.700 0.265 0.000 0.992 138 T CA 0.708 62.942 62.100 0.224 0.000 1.015 138 T CB 2.170 71.128 68.868 0.150 0.000 1.044 138 T HN 1.799 nan 8.240 nan 0.000 0.520 139 S N 0.636 116.395 115.700 0.098 0.000 2.661 139 S HA 0.591 4.864 4.470 -0.329 0.000 0.268 139 S C -1.645 172.913 174.600 -0.071 0.000 1.162 139 S CA -1.148 56.991 58.200 -0.102 0.000 0.817 139 S CB 1.071 63.983 63.200 -0.479 0.000 1.141 139 S HN 0.899 nan 8.310 nan 0.000 0.477 140 L N 1.917 123.057 121.223 -0.140 0.000 2.287 140 L HA 0.609 4.752 4.340 -0.329 0.000 0.287 140 L C -1.282 175.559 176.870 -0.049 0.000 1.022 140 L CA -0.517 54.291 54.840 -0.053 0.000 0.814 140 L CB 0.932 42.973 42.059 -0.029 0.000 1.217 140 L HN 0.796 nan 8.230 nan 0.000 0.420 141 Y N 4.922 125.152 120.300 -0.117 0.000 2.336 141 Y HA 0.558 4.908 4.550 -0.333 0.000 0.335 141 Y C -0.677 175.184 175.900 -0.065 0.000 1.046 141 Y CA -0.359 57.694 58.100 -0.078 0.000 1.198 141 Y CB 1.085 39.521 38.460 -0.040 0.000 1.182 141 Y HN 0.365 nan 8.280 nan 0.000 0.502 142 V N 7.503 127.123 119.914 -0.489 0.000 2.398 142 V HA 0.441 4.364 4.120 -0.329 0.000 0.286 142 V C -0.558 175.241 176.094 -0.491 0.000 1.026 142 V CA -0.881 61.210 62.300 -0.347 0.000 0.868 142 V CB 1.272 32.949 31.823 -0.243 0.000 0.982 142 V HN 0.600 nan 8.190 nan 0.000 0.443 143 R N 6.783 127.145 120.500 -0.231 0.000 2.363 143 R HA 0.518 4.660 4.340 -0.329 0.000 0.297 143 R C -3.069 173.149 176.300 -0.137 0.000 1.208 143 R CA -2.100 53.913 56.100 -0.144 0.000 1.121 143 R CB 1.194 31.521 30.300 0.045 0.000 1.124 143 R HN 0.393 nan 8.270 nan 0.000 0.561 144 P HA 0.251 nan 4.420 nan 0.000 0.285 144 P C -1.099 176.048 177.300 -0.254 0.000 1.259 144 P CA -0.451 62.515 63.100 -0.223 0.000 0.794 144 P CB 1.628 33.209 31.700 -0.198 0.000 0.940 145 V N 4.087 123.720 119.914 -0.468 0.000 2.841 145 V HA 0.495 4.418 4.120 -0.329 0.000 0.310 145 V C -0.783 175.077 176.094 -0.389 0.000 1.090 145 V CA -0.658 61.347 62.300 -0.492 0.000 0.930 145 V CB 2.235 33.470 31.823 -0.980 0.000 1.014 145 V HN 0.320 nan 8.190 nan 0.000 0.425 146 L N 6.491 127.623 121.223 -0.152 0.000 2.406 146 L HA 0.794 4.936 4.340 -0.329 0.000 0.272 146 L C -0.734 176.160 176.870 0.040 0.000 0.980 146 L CA -0.116 54.711 54.840 -0.022 0.000 0.831 146 L CB 1.489 43.569 42.059 0.034 0.000 1.253 146 L HN 0.699 nan 8.230 nan 0.000 0.406 147 I N 1.053 121.680 120.570 0.095 0.000 2.785 147 I HA 0.915 4.888 4.170 -0.329 0.000 0.302 147 I C 0.325 176.503 176.117 0.101 0.000 1.069 147 I CA -0.904 60.463 61.300 0.111 0.000 1.045 147 I CB 2.157 40.254 38.000 0.160 0.000 1.236 147 I HN 0.680 nan 8.210 nan 0.000 0.429 148 G N 1.591 110.444 108.800 0.088 0.000 2.415 148 G HA2 0.262 4.025 3.960 -0.329 0.000 0.269 148 G HA3 0.262 4.025 3.960 -0.329 0.000 0.269 148 G C -0.279 174.676 174.900 0.090 0.000 1.209 148 G CA -0.266 44.884 45.100 0.083 0.000 0.835 148 G HN 0.766 nan 8.290 nan 0.000 0.534 149 N N -0.156 118.595 118.700 0.085 0.000 2.466 149 N HA 0.064 4.607 4.740 -0.329 0.000 0.272 149 N C -0.365 175.159 175.510 0.023 0.000 1.455 149 N CA -0.433 52.654 53.050 0.062 0.000 0.875 149 N CB 0.693 39.221 38.487 0.068 0.000 1.372 149 N HN 0.525 nan 8.380 nan 0.000 0.492 150 E N 1.417 121.630 120.200 0.022 0.000 2.290 150 E HA 0.191 4.344 4.350 -0.329 0.000 0.277 150 E C -2.197 174.347 176.600 -0.093 0.000 1.035 150 E CA -1.960 54.427 56.400 -0.021 0.000 0.873 150 E CB 0.825 30.536 29.700 0.018 0.000 1.029 150 E HN 0.157 nan 8.360 nan 0.000 0.419 151 P HA 0.109 nan 4.420 nan 0.000 0.214 151 P C -1.128 176.001 177.300 -0.284 0.000 1.826 151 P CA -0.159 62.688 63.100 -0.420 0.000 0.977 151 P CB 0.202 31.393 31.700 -0.848 0.000 1.930 152 S N 1.030 116.637 115.700 -0.155 0.000 2.541 152 S HA 0.398 4.670 4.470 -0.329 0.000 0.271 152 S C 0.517 175.092 174.600 -0.041 0.000 1.133 152 S CA -0.717 57.433 58.200 -0.083 0.000 0.876 152 S CB 1.056 64.233 63.200 -0.039 0.000 1.105 152 S HN 0.072 nan 8.310 nan 0.000 0.470 153 L N 2.894 124.112 121.223 -0.009 0.000 2.591 153 L HA 0.325 4.468 4.340 -0.329 0.000 0.228 153 L C 1.448 178.452 176.870 0.225 0.000 1.133 153 L CA -0.010 54.889 54.840 0.098 0.000 0.880 153 L CB -0.614 41.470 42.059 0.042 0.000 1.033 153 L HN 0.737 nan 8.230 nan 0.000 0.450 154 G N 0.305 109.167 108.800 0.102 0.000 2.390 154 G HA2 0.361 4.123 3.960 -0.329 0.000 0.270 154 G HA3 0.361 4.123 3.960 -0.329 0.000 0.270 154 G C -0.209 174.653 174.900 -0.064 0.000 1.211 154 G CA -0.279 44.826 45.100 0.008 0.000 0.842 154 G HN -0.088 nan 8.290 nan 0.000 0.519 155 V N 2.880 122.637 119.914 -0.261 0.000 2.313 155 V HA 0.415 4.338 4.120 -0.329 0.000 0.252 155 V C 0.449 176.445 176.094 -0.164 0.000 1.112 155 V CA 0.135 62.198 62.300 -0.395 0.000 0.984 155 V CB -0.819 30.675 31.823 -0.548 0.000 1.157 155 V HN 0.987 nan 8.190 nan 0.000 0.493 156 S N 2.823 118.478 115.700 -0.076 0.000 2.688 156 S HA 0.500 4.773 4.470 -0.329 0.000 0.275 156 S C -0.739 173.862 174.600 0.002 0.000 1.175 156 S CA -0.952 57.228 58.200 -0.033 0.000 0.818 156 S CB 1.622 64.810 63.200 -0.020 0.000 1.157 156 S HN 0.530 nan 8.310 nan 0.000 0.482 157 Q N 1.904 121.708 119.800 0.007 0.000 2.274 157 Q HA 0.293 4.435 4.340 -0.329 0.000 0.280 157 Q C -2.130 173.904 176.000 0.056 0.000 1.047 157 Q CA -1.325 54.492 55.803 0.023 0.000 0.907 157 Q CB 0.300 29.051 28.738 0.022 0.000 1.171 157 Q HN 0.468 nan 8.270 nan 0.000 0.381 158 P HA 0.085 nan 4.420 nan 0.000 0.275 158 P C -0.627 176.806 177.300 0.220 0.000 1.227 158 P CA -0.206 62.961 63.100 0.112 0.000 0.781 158 P CB 1.032 32.793 31.700 0.102 0.000 0.906 159 R N 1.614 122.216 120.500 0.169 0.000 2.290 159 R HA 0.191 4.334 4.340 -0.329 0.000 0.197 159 R C 0.802 177.143 176.300 0.069 0.000 0.913 159 R CA 0.249 56.428 56.100 0.132 0.000 1.040 159 R CB 0.286 30.573 30.300 -0.020 0.000 0.992 159 R HN 0.537 nan 8.270 nan 0.000 0.500 160 R N -0.140 120.456 120.500 0.159 0.000 2.750 160 R HA 0.722 4.864 4.340 -0.329 0.000 0.281 160 R C -1.019 175.424 176.300 0.240 0.000 0.972 160 R CA -0.513 55.667 56.100 0.133 0.000 0.912 160 R CB 2.410 32.724 30.300 0.024 0.000 1.187 160 R HN 0.016 nan 8.270 nan 0.000 0.464 161 A N 1.762 124.730 122.820 0.247 0.000 2.609 161 A HA 0.725 4.847 4.320 -0.329 0.000 0.291 161 A C -2.084 175.595 177.584 0.157 0.000 1.096 161 A CA -0.576 51.562 52.037 0.168 0.000 0.684 161 A CB 1.918 20.960 19.000 0.070 0.000 1.282 161 A HN 0.461 nan 8.150 nan 0.000 0.412 162 L N 1.070 122.396 121.223 0.171 0.000 2.470 162 L HA 0.758 4.901 4.340 -0.329 0.000 0.268 162 L C -1.979 175.045 176.870 0.257 0.000 0.964 162 L CA -0.534 54.434 54.840 0.213 0.000 0.839 162 L CB 1.836 43.999 42.059 0.173 0.000 1.276 162 L HN 0.787 nan 8.230 nan 0.000 0.403 163 L N 6.519 127.901 121.223 0.266 0.000 2.305 163 L HA 0.759 4.902 4.340 -0.329 0.000 0.284 163 L C -1.311 175.631 176.870 0.120 0.000 1.013 163 L CA -0.457 54.460 54.840 0.129 0.000 0.819 163 L CB 0.918 43.009 42.059 0.053 0.000 1.227 163 L HN 0.556 nan 8.230 nan 0.000 0.417 164 F N 4.215 124.118 119.950 -0.077 0.000 2.588 164 F HA 0.908 5.240 4.527 -0.326 0.000 0.314 164 F C -1.304 174.440 175.800 -0.094 0.000 1.069 164 F CA -1.193 56.747 58.000 -0.100 0.000 0.931 164 F CB 1.540 40.477 39.000 -0.104 0.000 1.260 164 F HN 0.133 nan 8.300 nan 0.000 0.465 165 V N 4.242 124.192 119.914 0.059 0.000 2.588 165 V HA 0.605 4.528 4.120 -0.329 0.000 0.304 165 V C -0.134 176.022 176.094 0.103 0.000 1.042 165 V CA -0.761 61.528 62.300 -0.019 0.000 0.877 165 V CB 1.602 33.389 31.823 -0.061 0.000 0.996 165 V HN 0.907 nan 8.190 nan 0.000 0.425 166 I N 2.458 123.103 120.570 0.125 0.000 2.785 166 I HA 0.792 4.764 4.170 -0.329 0.000 0.302 166 I C -1.277 174.943 176.117 0.171 0.000 1.069 166 I CA -0.997 60.444 61.300 0.235 0.000 1.045 166 I CB 2.342 40.557 38.000 0.359 0.000 1.236 166 I HN 0.382 nan 8.210 nan 0.000 0.429 167 L N 4.262 125.588 121.223 0.172 0.000 2.381 167 L HA 0.738 4.880 4.340 -0.329 0.000 0.268 167 L C -0.894 175.960 176.870 -0.027 0.000 0.997 167 L CA -0.680 54.183 54.840 0.039 0.000 0.818 167 L CB 2.083 44.117 42.059 -0.042 0.000 1.310 167 L HN 0.964 nan 8.230 nan 0.000 0.416 168 C N 0.709 119.956 119.300 -0.089 0.000 2.642 168 C HA 0.631 4.894 4.460 -0.329 0.000 0.344 168 C C -2.981 171.906 174.990 -0.171 0.000 1.110 168 C CA -2.165 56.685 59.018 -0.279 0.000 1.298 168 C CB 2.005 29.385 27.740 -0.601 0.000 1.827 168 C HN 0.459 nan 8.230 nan 0.000 0.467 169 P HA 0.349 nan 4.420 nan 0.000 0.271 169 P C -0.476 176.788 177.300 -0.060 0.000 1.226 169 P CA 0.142 63.228 63.100 -0.023 0.000 0.765 169 P CB 0.856 32.602 31.700 0.077 0.000 0.835 170 V N 3.861 123.773 119.914 -0.003 0.000 2.680 170 V HA 0.629 4.552 4.120 -0.329 0.000 0.309 170 V C 0.893 177.027 176.094 0.066 0.000 1.052 170 V CA -0.432 61.883 62.300 0.025 0.000 0.908 170 V CB 1.976 33.862 31.823 0.104 0.000 1.001 170 V HN 0.676 nan 8.190 nan 0.000 0.431 171 G N 1.971 110.808 108.800 0.062 0.000 2.588 171 G HA2 0.550 4.313 3.960 -0.329 0.000 0.281 171 G HA3 0.550 4.313 3.960 -0.329 0.000 0.281 171 G C 0.107 175.061 174.900 0.090 0.000 1.236 171 G CA -0.025 45.113 45.100 0.063 0.000 0.969 171 G HN 1.143 nan 8.290 nan 0.000 0.504 172 A N -0.718 122.153 122.820 0.086 0.000 2.488 172 A HA 0.288 4.411 4.320 -0.329 0.000 0.249 172 A C 0.794 178.408 177.584 0.051 0.000 1.083 172 A CA -0.177 51.927 52.037 0.112 0.000 0.768 172 A CB 0.023 19.092 19.000 0.115 0.000 1.017 172 A HN 0.801 nan 8.150 nan 0.000 0.496 173 Y N 2.925 123.164 120.300 -0.102 0.000 2.145 173 Y HA -0.080 4.275 4.550 -0.326 0.000 0.286 173 Y C 0.276 175.908 175.900 -0.446 0.000 1.145 173 Y CA 1.683 59.581 58.100 -0.337 0.000 1.148 173 Y CB -0.078 38.074 38.460 -0.513 0.000 0.981 173 Y HN 0.569 nan 8.280 nan 0.000 0.507 174 F N 2.484 122.494 119.950 0.100 0.000 2.335 174 F HA 0.342 4.670 4.527 -0.331 0.000 0.365 174 F C -2.143 173.655 175.800 -0.003 0.000 1.122 174 F CA -2.651 55.356 58.000 0.012 0.000 1.151 174 F CB 0.298 39.343 39.000 0.075 0.000 1.282 174 F HN -0.081 nan 8.300 nan 0.000 0.513 175 P HA 0.126 nan 4.420 nan 0.000 0.263 175 P C 0.762 178.105 177.300 0.072 0.000 1.195 175 P CA 0.685 63.816 63.100 0.051 0.000 0.762 175 P CB 0.654 32.356 31.700 0.003 0.000 0.799 176 G N 3.007 111.843 108.800 0.060 0.000 2.159 176 G HA2 -0.120 3.642 3.960 -0.329 0.000 0.256 176 G HA3 -0.120 3.642 3.960 -0.329 0.000 0.256 176 G C 0.916 175.848 174.900 0.053 0.000 0.977 176 G CA 0.274 45.401 45.100 0.045 0.000 0.652 176 G HN 1.027 nan 8.290 nan 0.000 0.531 177 G N -1.405 107.451 108.800 0.093 0.000 2.189 177 G HA2 -0.047 3.716 3.960 -0.329 0.000 0.267 177 G HA3 -0.047 3.716 3.960 -0.329 0.000 0.267 177 G C 0.479 175.409 174.900 0.051 0.000 0.975 177 G CA 1.265 46.422 45.100 0.094 0.000 0.644 177 G HN 2.028 nan 8.290 nan 0.000 0.537 178 S N 0.348 116.067 115.700 0.031 0.000 2.422 178 S HA 0.550 4.823 4.470 -0.329 0.000 0.298 178 S C 0.710 175.207 174.600 -0.171 0.000 1.118 178 S CA 0.010 58.176 58.200 -0.057 0.000 1.083 178 S CB 0.954 64.134 63.200 -0.034 0.000 0.971 178 S HN 1.551 nan 8.310 nan 0.000 0.478 179 V N 4.121 123.786 119.914 -0.415 0.000 2.493 179 V HA 0.413 4.335 4.120 -0.329 0.000 0.292 179 V C 0.484 176.266 176.094 -0.520 0.000 1.016 179 V CA -0.247 61.492 62.300 -0.935 0.000 1.097 179 V CB 0.409 31.700 31.823 -0.886 0.000 0.947 179 V HN 0.770 nan 8.190 nan 0.000 0.479 180 T N 7.579 121.893 114.554 -0.400 0.000 2.797 180 T HA 0.595 4.748 4.350 -0.329 0.000 0.279 180 T C -2.167 172.561 174.700 0.048 0.000 0.991 180 T CA -1.713 60.355 62.100 -0.053 0.000 0.979 180 T CB 1.627 70.555 68.868 0.099 0.000 0.943 180 T HN 0.873 nan 8.240 nan 0.000 0.444 181 P HA 0.422 nan 4.420 nan 0.000 0.276 181 P C -0.761 176.597 177.300 0.096 0.000 1.261 181 P CA -0.449 62.657 63.100 0.009 0.000 0.800 181 P CB 0.868 32.487 31.700 -0.134 0.000 1.066 182 V N -2.551 117.511 119.914 0.245 0.000 3.001 182 V HA 0.758 4.681 4.120 -0.329 0.000 0.314 182 V C -0.251 176.036 176.094 0.322 0.000 1.099 182 V CA -0.989 61.470 62.300 0.267 0.000 0.989 182 V CB 1.461 33.409 31.823 0.207 0.000 1.040 182 V HN 0.703 nan 8.190 nan 0.000 0.434 183 S N 3.184 119.019 115.700 0.225 0.000 2.509 183 S HA 0.854 5.127 4.470 -0.329 0.000 0.297 183 S C -0.658 173.969 174.600 0.046 0.000 1.118 183 S CA -0.810 57.441 58.200 0.085 0.000 1.074 183 S CB 1.252 64.461 63.200 0.015 0.000 1.038 183 S HN 0.835 nan 8.310 nan 0.000 0.498 184 L N 2.351 123.579 121.223 0.010 0.000 2.346 184 L HA 0.588 4.731 4.340 -0.329 0.000 0.276 184 L C -0.844 176.009 176.870 -0.029 0.000 1.006 184 L CA -1.139 53.691 54.840 -0.017 0.000 0.817 184 L CB 1.536 43.583 42.059 -0.021 0.000 1.272 184 L HN 0.587 nan 8.230 nan 0.000 0.421 185 L N 3.015 124.203 121.223 -0.059 0.000 2.264 185 L HA 0.682 4.825 4.340 -0.329 0.000 0.289 185 L C -0.061 176.771 176.870 -0.063 0.000 1.044 185 L CA -0.024 54.790 54.840 -0.043 0.000 0.807 185 L CB 1.190 43.216 42.059 -0.056 0.000 1.192 185 L HN 0.702 nan 8.230 nan 0.000 0.425 186 A N 4.441 127.272 122.820 0.018 0.000 2.394 186 A HA 0.516 4.639 4.320 -0.329 0.000 0.333 186 A C -0.921 176.738 177.584 0.124 0.000 1.397 186 A CA -0.534 51.529 52.037 0.044 0.000 0.884 186 A CB -0.014 19.018 19.000 0.053 0.000 1.147 186 A HN 0.673 nan 8.150 nan 0.000 0.505 187 D N 4.321 124.771 120.400 0.082 0.000 2.481 187 D HA 0.344 4.787 4.640 -0.329 0.000 0.246 187 D C -1.845 174.465 176.300 0.018 0.000 1.109 187 D CA -1.570 52.475 54.000 0.075 0.000 0.845 187 D CB 2.306 43.208 40.800 0.169 0.000 1.160 187 D HN 0.232 nan 8.370 nan 0.000 0.534 188 P HA -0.068 nan 4.420 nan 0.000 0.225 188 P C 1.000 178.243 177.300 -0.094 0.000 1.148 188 P CA 0.360 63.391 63.100 -0.116 0.000 0.779 188 P CB 0.289 31.836 31.700 -0.254 0.000 0.780 189 A N -0.806 121.866 122.820 -0.246 0.000 2.067 189 A HA -0.041 4.082 4.320 -0.329 0.000 0.219 189 A C 0.866 178.149 177.584 -0.503 0.000 1.158 189 A CA 0.606 52.382 52.037 -0.436 0.000 0.661 189 A CB -1.103 17.483 19.000 -0.691 0.000 0.801 189 A HN 0.172 nan 8.150 nan 0.000 0.452 190 F N 0.525 120.544 119.950 0.115 0.000 2.411 190 F HA 0.497 4.818 4.527 -0.343 0.000 0.352 190 F C -0.143 175.898 175.800 0.401 0.000 1.123 190 F CA -0.868 57.274 58.000 0.237 0.000 1.044 190 F CB 1.369 40.480 39.000 0.184 0.000 1.135 190 F HN -0.078 nan 8.300 nan 0.000 0.461 191 I N 4.166 125.073 120.570 0.562 0.000 2.406 191 I HA 0.324 4.296 4.170 -0.329 0.000 0.290 191 I C 0.783 177.095 176.117 0.326 0.000 0.999 191 I CA -0.457 61.128 61.300 0.474 0.000 1.124 191 I CB 1.774 39.984 38.000 0.350 0.000 1.289 191 I HN 0.748 nan 8.210 nan 0.000 0.441 192 R N 3.975 124.478 120.500 0.003 0.000 2.066 192 R HA 0.319 4.462 4.340 -0.329 0.000 0.224 192 R C 0.443 176.614 176.300 -0.215 0.000 1.122 192 R CA 0.900 56.675 56.100 -0.541 0.000 0.974 192 R CB 0.544 30.094 30.300 -1.250 0.000 0.871 192 R HN 0.789 nan 8.270 nan 0.000 0.435 193 A N -0.595 122.169 122.820 -0.093 0.000 2.594 193 A HA 0.546 4.668 4.320 -0.329 0.000 0.291 193 A C -2.005 175.619 177.584 0.066 0.000 1.105 193 A CA -0.825 51.051 52.037 -0.268 0.000 0.694 193 A CB 0.704 19.436 19.000 -0.446 0.000 1.291 193 A HN 0.386 nan 8.150 nan 0.000 0.410 194 W N -0.350 120.888 121.300 -0.103 0.000 3.033 194 W HA 0.659 5.138 4.660 -0.302 0.000 0.336 194 W C -1.138 175.324 176.519 -0.095 0.000 1.173 194 W CA -1.271 56.065 57.345 -0.016 0.000 1.185 194 W CB 0.822 30.364 29.460 0.137 0.000 1.425 194 W HN 0.423 nan 8.180 nan 0.000 0.536 195 V N 3.744 123.723 119.914 0.108 0.000 2.493 195 V HA 0.370 4.293 4.120 -0.329 0.000 0.292 195 V C 1.143 177.295 176.094 0.097 0.000 1.016 195 V CA 1.855 64.173 62.300 0.029 0.000 1.097 195 V CB 0.195 32.082 31.823 0.106 0.000 0.947 195 V HN 1.389 nan 8.190 nan 0.000 0.479 196 G N 3.545 112.346 108.800 0.002 0.000 2.159 196 G HA2 -0.122 3.640 3.960 -0.329 0.000 0.227 196 G HA3 -0.122 3.640 3.960 -0.329 0.000 0.227 196 G C 0.423 175.318 174.900 -0.008 0.000 0.986 196 G CA 0.060 45.183 45.100 0.038 0.000 0.651 196 G HN 1.257 nan 8.290 nan 0.000 0.523 197 G N -1.143 107.529 108.800 -0.214 0.000 2.782 197 G HA2 0.691 4.453 3.960 -0.329 0.000 0.201 197 G HA3 0.691 4.453 3.960 -0.329 0.000 0.201 197 G C 1.027 175.728 174.900 -0.332 0.000 1.374 197 G CA 0.868 45.666 45.100 -0.504 0.000 1.039 197 G HN 1.293 nan 8.290 nan 0.000 0.576 198 V N -2.484 117.167 119.914 -0.438 0.000 3.253 198 V HA 0.429 4.352 4.120 -0.329 0.000 0.320 198 V C 1.813 177.799 176.094 -0.179 0.000 1.442 198 V CA 0.677 62.892 62.300 -0.142 0.000 1.097 198 V CB 0.307 32.062 31.823 -0.112 0.000 1.008 198 V HN 0.768 nan 8.190 nan 0.000 0.463 199 G N 2.541 111.105 108.800 -0.394 0.000 2.586 199 G HA2 -0.220 3.542 3.960 -0.329 0.000 0.215 199 G HA3 -0.220 3.542 3.960 -0.329 0.000 0.215 199 G C 0.940 175.650 174.900 -0.315 0.000 1.128 199 G CA 0.968 45.837 45.100 -0.386 0.000 0.774 199 G HN 0.881 nan 8.290 nan 0.000 0.543 200 N N -1.865 116.624 118.700 -0.351 0.000 2.268 200 N HA 0.227 4.769 4.740 -0.329 0.000 0.204 200 N C -0.661 174.495 175.510 -0.590 0.000 1.124 200 N CA -0.459 52.315 53.050 -0.460 0.000 0.838 200 N CB 0.133 38.303 38.487 -0.527 0.000 0.994 200 N HN 0.274 nan 8.380 nan 0.000 0.489 201 Y N 0.317 120.516 120.300 -0.167 0.000 2.499 201 Y HA 0.345 4.702 4.550 -0.322 0.000 0.347 201 Y C -0.002 175.821 175.900 -0.129 0.000 0.987 201 Y CA -1.276 56.740 58.100 -0.140 0.000 1.044 201 Y CB 1.705 40.089 38.460 -0.127 0.000 1.245 201 Y HN -0.193 nan 8.280 nan 0.000 0.461 202 K N 3.439 123.839 120.400 0.000 0.000 2.187 202 K HA 0.381 4.504 4.320 -0.329 0.000 0.242 202 K C -1.389 175.119 176.600 -0.153 0.000 1.179 202 K CA 0.052 56.233 56.287 -0.177 0.000 1.097 202 K CB -0.462 31.752 32.500 -0.477 0.000 1.634 202 K HN 0.535 nan 8.250 nan 0.000 0.335 203 L N 0.406 121.701 121.223 0.120 0.000 2.325 203 L HA 0.334 4.477 4.340 -0.329 0.000 0.278 203 L C 1.696 178.818 176.870 0.421 0.000 1.023 203 L CA -0.794 54.153 54.840 0.179 0.000 0.811 203 L CB 1.663 43.773 42.059 0.085 0.000 1.249 203 L HN 0.500 nan 8.230 nan 0.000 0.431 204 G N 1.665 110.721 108.800 0.426 0.000 2.469 204 G HA2 -0.240 3.522 3.960 -0.329 0.000 0.220 204 G HA3 -0.240 3.522 3.960 -0.329 0.000 0.220 204 G C 1.359 176.480 174.900 0.369 0.000 1.136 204 G CA 0.980 46.360 45.100 0.467 0.000 0.759 204 G HN 0.920 nan 8.290 nan 0.000 0.562 205 G N 0.371 109.299 108.800 0.213 0.000 2.501 205 G HA2 -0.191 3.572 3.960 -0.329 0.000 0.220 205 G HA3 -0.191 3.572 3.960 -0.329 0.000 0.220 205 G C 1.566 176.486 174.900 0.034 0.000 1.114 205 G CA 0.993 46.165 45.100 0.121 0.000 0.757 205 G HN 0.598 nan 8.290 nan 0.000 0.559 206 N N -1.191 117.460 118.700 -0.081 0.000 2.446 206 N HA 0.043 4.586 4.740 -0.329 0.000 0.179 206 N C 1.407 176.568 175.510 -0.583 0.000 1.054 206 N CA 0.395 53.203 53.050 -0.403 0.000 0.905 206 N CB -0.010 38.084 38.487 -0.654 0.000 0.973 206 N HN 0.450 nan 8.380 nan 0.000 0.448 207 Y N 0.102 120.448 120.300 0.077 0.000 2.343 207 Y HA 0.234 4.608 4.550 -0.295 0.000 0.294 207 Y C 2.586 178.534 175.900 0.080 0.000 1.122 207 Y CA 0.397 58.550 58.100 0.088 0.000 1.173 207 Y CB -0.699 37.839 38.460 0.130 0.000 1.077 207 Y HN -0.033 nan 8.280 nan 0.000 0.542 208 G N 1.437 110.351 108.800 0.189 0.000 2.513 208 G HA2 -0.238 3.525 3.960 -0.329 0.000 0.219 208 G HA3 -0.238 3.525 3.960 -0.329 0.000 0.219 208 G C -0.623 174.342 174.900 0.109 0.000 1.160 208 G CA 1.061 46.241 45.100 0.133 0.000 0.767 208 G HN 0.307 nan 8.290 nan 0.000 0.571 209 P HA -0.006 nan 4.420 nan 0.000 0.226 209 P C 2.074 179.455 177.300 0.135 0.000 1.153 209 P CA 1.705 64.870 63.100 0.108 0.000 0.777 209 P CB -0.129 31.638 31.700 0.111 0.000 0.794 210 T N -4.235 110.402 114.554 0.140 0.000 3.055 210 T HA -0.024 4.129 4.350 -0.329 0.000 0.265 210 T C 1.700 176.504 174.700 0.174 0.000 1.111 210 T CA 0.449 62.696 62.100 0.245 0.000 1.118 210 T CB -1.179 67.874 68.868 0.309 0.000 0.909 210 T HN -0.140 nan 8.240 nan 0.000 0.501 211 V N 1.381 121.368 119.914 0.123 0.000 2.332 211 V HA -0.088 3.834 4.120 -0.329 0.000 0.248 211 V C 2.550 178.663 176.094 0.031 0.000 1.055 211 V CA 1.715 64.063 62.300 0.080 0.000 1.038 211 V CB -0.840 31.028 31.823 0.075 0.000 0.651 211 V HN 0.454 nan 8.190 nan 0.000 0.450 212 L N 0.010 121.244 121.223 0.018 0.000 2.056 212 L HA -0.076 4.066 4.340 -0.329 0.000 0.207 212 L C 2.322 179.111 176.870 -0.134 0.000 1.078 212 L CA 1.778 56.602 54.840 -0.027 0.000 0.749 212 L CB -0.452 41.609 42.059 0.005 0.000 0.901 212 L HN 0.150 nan 8.230 nan 0.000 0.433 213 V N -0.560 119.228 119.914 -0.210 0.000 2.407 213 V HA -0.265 3.658 4.120 -0.329 0.000 0.248 213 V C 2.625 178.528 176.094 -0.318 0.000 1.055 213 V CA 1.727 63.729 62.300 -0.497 0.000 1.049 213 V CB -0.800 30.704 31.823 -0.532 0.000 0.662 213 V HN 0.544 nan 8.190 nan 0.000 0.455 214 Q N -0.277 119.442 119.800 -0.136 0.000 2.084 214 Q HA -0.208 3.935 4.340 -0.329 0.000 0.202 214 Q C 2.434 178.391 176.000 -0.071 0.000 0.978 214 Q CA 1.506 57.262 55.803 -0.078 0.000 0.844 214 Q CB -0.136 28.607 28.738 0.009 0.000 0.898 214 Q HN 0.627 nan 8.270 nan 0.000 0.426 215 Q N 0.196 119.960 119.800 -0.060 0.000 2.124 215 Q HA -0.170 3.973 4.340 -0.329 0.000 0.202 215 Q C 1.839 177.806 176.000 -0.054 0.000 0.977 215 Q CA 1.131 56.910 55.803 -0.040 0.000 0.850 215 Q CB -0.167 28.557 28.738 -0.024 0.000 0.901 215 Q HN 0.302 nan 8.270 nan 0.000 0.429 216 E N 0.594 120.734 120.200 -0.100 0.000 2.150 216 E HA -0.068 4.085 4.350 -0.329 0.000 0.193 216 E C 1.767 178.325 176.600 -0.070 0.000 0.985 216 E CA 1.096 57.444 56.400 -0.086 0.000 0.814 216 E CB -0.169 29.442 29.700 -0.148 0.000 0.752 216 E HN 0.347 nan 8.360 nan 0.000 0.466 217 A N 0.127 122.883 122.820 -0.106 0.000 1.873 217 A HA -0.121 4.002 4.320 -0.329 0.000 0.215 217 A C 2.185 179.747 177.584 -0.036 0.000 1.186 217 A CA 1.102 53.091 52.037 -0.079 0.000 0.616 217 A CB -0.647 18.285 19.000 -0.113 0.000 0.823 217 A HN 0.273 nan 8.150 nan 0.000 0.442 218 L N -0.864 120.342 121.223 -0.029 0.000 2.046 218 L HA -0.203 3.940 4.340 -0.329 0.000 0.208 218 L C 2.590 179.459 176.870 -0.001 0.000 1.077 218 L CA 1.874 56.709 54.840 -0.008 0.000 0.747 218 L CB -0.403 41.653 42.059 -0.005 0.000 0.896 218 L HN 0.386 nan 8.230 nan 0.000 0.432 219 K N 0.226 120.624 120.400 -0.005 0.000 2.103 219 K HA -0.146 3.976 4.320 -0.329 0.000 0.207 219 K C 1.792 178.397 176.600 0.008 0.000 1.048 219 K CA 1.277 57.566 56.287 0.004 0.000 0.930 219 K CB 0.086 32.589 32.500 0.005 0.000 0.716 219 K HN 0.119 nan 8.250 nan 0.000 0.444 220 R N -0.763 119.740 120.500 0.006 0.000 2.391 220 R HA 0.109 4.252 4.340 -0.329 0.000 0.249 220 R C 0.426 176.733 176.300 0.012 0.000 0.957 220 R CA 0.646 56.753 56.100 0.011 0.000 1.093 220 R CB 0.498 30.805 30.300 0.013 0.000 1.156 220 R HN 0.480 nan 8.270 nan 0.000 0.526 221 G N 1.027 109.835 108.800 0.013 0.000 2.160 221 G HA2 -0.292 3.470 3.960 -0.329 0.000 0.251 221 G HA3 -0.292 3.470 3.960 -0.329 0.000 0.251 221 G C 0.133 175.048 174.900 0.025 0.000 1.008 221 G CA 0.205 45.318 45.100 0.021 0.000 0.724 221 G HN 0.382 nan 8.290 nan 0.000 0.514 222 C N -0.909 118.400 119.300 0.015 0.000 2.454 222 C HA 0.673 4.936 4.460 -0.329 0.000 0.336 222 C C 1.449 176.450 174.990 0.018 0.000 1.189 222 C CA -0.484 58.544 59.018 0.017 0.000 1.877 222 C CB 1.859 29.596 27.740 -0.004 0.000 2.348 222 C HN 0.513 nan 8.230 nan 0.000 0.508 223 E N -0.202 120.021 120.200 0.039 0.000 2.318 223 E HA 0.052 4.205 4.350 -0.329 0.000 0.193 223 E C 0.673 177.289 176.600 0.027 0.000 0.998 223 E CA 0.906 57.331 56.400 0.042 0.000 0.859 223 E CB 0.226 29.970 29.700 0.075 0.000 0.812 223 E HN 0.566 nan 8.360 nan 0.000 0.492 224 Q N -0.780 119.026 119.800 0.010 0.000 2.687 224 Q HA 0.447 4.589 4.340 -0.329 0.000 0.305 224 Q C -1.077 174.863 176.000 -0.101 0.000 1.006 224 Q CA -0.884 54.909 55.803 -0.018 0.000 0.763 224 Q CB 2.361 31.117 28.738 0.029 0.000 1.506 224 Q HN -0.121 nan 8.270 nan 0.000 0.459 225 V N 1.767 121.563 119.914 -0.196 0.000 2.459 225 V HA 0.330 4.252 4.120 -0.329 0.000 0.295 225 V C -0.603 175.223 176.094 -0.448 0.000 1.029 225 V CA -0.740 61.297 62.300 -0.439 0.000 0.874 225 V CB 1.518 32.806 31.823 -0.893 0.000 0.985 225 V HN 0.533 nan 8.190 nan 0.000 0.438 226 L N 5.659 126.683 121.223 -0.333 0.000 2.255 226 L HA 0.522 4.665 4.340 -0.329 0.000 0.289 226 L C -0.847 175.903 176.870 -0.199 0.000 1.046 226 L CA -0.207 54.520 54.840 -0.187 0.000 0.816 226 L CB 0.481 42.489 42.059 -0.085 0.000 1.197 226 L HN 0.638 nan 8.230 nan 0.000 0.427 227 W N 6.623 127.950 121.300 0.046 0.000 2.419 227 W HA 0.443 5.012 4.660 -0.153 0.000 0.312 227 W C -0.421 176.141 176.519 0.072 0.000 1.323 227 W CA -0.349 57.040 57.345 0.072 0.000 1.293 227 W CB 0.367 29.864 29.460 0.062 0.000 1.324 227 W HN 0.338 nan 8.180 nan 0.000 0.512 228 L N 4.013 125.421 121.223 0.308 0.000 2.334 228 L HA 0.525 4.668 4.340 -0.329 0.000 0.275 228 L C -0.750 176.319 176.870 0.332 0.000 1.036 228 L CA -1.361 53.612 54.840 0.223 0.000 0.807 228 L CB 1.037 43.129 42.059 0.056 0.000 1.231 228 L HN 0.329 nan 8.230 nan 0.000 0.438 229 Y N 1.123 121.516 120.300 0.154 0.000 2.492 229 Y HA 0.661 5.059 4.550 -0.253 0.000 0.346 229 Y C 0.238 176.232 175.900 0.156 0.000 0.997 229 Y CA -0.003 58.189 58.100 0.153 0.000 1.025 229 Y CB 2.019 40.550 38.460 0.118 0.000 1.263 229 Y HN 0.763 nan 8.280 nan 0.000 0.454 230 G N 5.655 114.093 108.800 -0.604 0.000 2.795 230 G HA2 -0.174 3.588 3.960 -0.329 0.000 0.664 230 G HA3 -0.174 3.588 3.960 -0.329 0.000 0.664 230 G C -2.341 172.519 174.900 -0.066 0.000 1.381 230 G CA -0.489 44.368 45.100 -0.405 0.000 0.853 230 G HN 0.577 nan 8.290 nan 0.000 0.545 231 P HA 0.079 nan 4.420 nan 0.000 0.231 231 P C 0.797 178.012 177.300 -0.141 0.000 1.168 231 P CA 1.618 64.680 63.100 -0.063 0.000 0.779 231 P CB 0.060 31.718 31.700 -0.069 0.000 0.844 232 D N -1.607 118.756 120.400 -0.061 0.000 2.328 232 D HA -0.103 4.340 4.640 -0.329 0.000 0.226 232 D C 0.029 176.355 176.300 0.043 0.000 1.066 232 D CA -0.478 53.492 54.000 -0.049 0.000 0.861 232 D CB -1.734 39.070 40.800 0.006 0.000 0.912 232 D HN 0.305 nan 8.370 nan 0.000 0.521 233 H N 0.354 119.453 119.070 0.048 0.000 2.506 233 H HA -0.170 4.189 4.556 -0.329 0.000 0.323 233 H C -0.436 174.923 175.328 0.051 0.000 1.076 233 H CA 0.015 56.102 56.048 0.065 0.000 1.108 233 H CB -1.566 28.250 29.762 0.091 0.000 1.569 233 H HN 0.407 nan 8.280 nan 0.000 0.399 234 Q N 1.431 121.348 119.800 0.195 0.000 2.332 234 Q HA 0.271 4.413 4.340 -0.329 0.000 0.263 234 Q C 0.508 176.584 176.000 0.127 0.000 0.979 234 Q CA -0.264 55.627 55.803 0.145 0.000 0.885 234 Q CB 1.285 30.126 28.738 0.171 0.000 1.218 234 Q HN 0.342 nan 8.270 nan 0.000 0.405 235 L N 2.571 123.828 121.223 0.057 0.000 2.331 235 L HA 0.136 4.279 4.340 -0.329 0.000 0.278 235 L C 1.244 178.129 176.870 0.026 0.000 1.106 235 L CA 0.136 54.991 54.840 0.025 0.000 0.824 235 L CB 0.717 42.748 42.059 -0.046 0.000 1.142 235 L HN 0.937 nan 8.230 nan 0.000 0.443 236 T N -0.710 113.884 114.554 0.067 0.000 3.238 236 T HA 0.256 4.409 4.350 -0.329 0.000 0.242 236 T C 0.477 175.187 174.700 0.017 0.000 0.980 236 T CA -0.256 61.862 62.100 0.029 0.000 1.235 236 T CB 0.777 69.676 68.868 0.050 0.000 1.069 236 T HN 0.533 nan 8.240 nan 0.000 0.407 237 E N 0.193 120.473 120.200 0.132 0.000 2.408 237 E HA 0.569 4.721 4.350 -0.329 0.000 0.275 237 E C -1.862 174.888 176.600 0.251 0.000 0.935 237 E CA -0.950 55.541 56.400 0.152 0.000 0.775 237 E CB 3.240 33.028 29.700 0.147 0.000 1.277 237 E HN 0.208 nan 8.360 nan 0.000 0.455 238 V N 1.297 121.319 119.914 0.181 0.000 2.313 238 V HA 0.590 4.512 4.120 -0.329 0.000 0.278 238 V C 0.451 176.661 176.094 0.194 0.000 1.017 238 V CA 1.062 63.448 62.300 0.143 0.000 0.823 238 V CB -0.048 31.827 31.823 0.086 0.000 1.010 238 V HN 0.963 nan 8.190 nan 0.000 0.443 239 G N 5.771 114.711 108.800 0.235 0.000 2.565 239 G HA2 -0.317 3.446 3.960 -0.329 0.000 0.295 239 G HA3 -0.317 3.446 3.960 -0.329 0.000 0.295 239 G C 0.652 175.808 174.900 0.427 0.000 1.165 239 G CA 0.837 46.120 45.100 0.305 0.000 0.977 239 G HN 2.084 nan 8.290 nan 0.000 0.546 240 T N -1.839 112.876 114.554 0.270 0.000 3.313 240 T HA 0.727 4.879 4.350 -0.329 0.000 0.263 240 T C 0.228 175.017 174.700 0.149 0.000 0.983 240 T CA 0.259 62.504 62.100 0.241 0.000 0.963 240 T CB -0.170 68.891 68.868 0.322 0.000 1.141 240 T HN 0.594 nan 8.240 nan 0.000 0.526 241 M N 1.345 121.021 119.600 0.127 0.000 2.591 241 M HA 0.475 4.758 4.480 -0.329 0.000 0.306 241 M C -0.572 175.773 176.300 0.075 0.000 1.190 241 M CA -0.964 54.385 55.300 0.082 0.000 0.889 241 M CB 1.915 34.557 32.600 0.070 0.000 1.728 241 M HN -0.006 nan 8.290 nan 0.000 0.458 242 N N 1.573 120.306 118.700 0.055 0.000 2.508 242 N HA 0.394 4.937 4.740 -0.329 0.000 0.264 242 N C -1.203 174.307 175.510 -0.000 0.000 1.216 242 N CA -0.015 53.030 53.050 -0.009 0.000 0.943 242 N CB 1.407 39.880 38.487 -0.024 0.000 1.113 242 N HN 0.606 nan 8.380 nan 0.000 0.447 243 I N 1.422 121.902 120.570 -0.150 0.000 2.460 243 I HA 0.420 4.392 4.170 -0.329 0.000 0.298 243 I C -1.200 174.665 176.117 -0.421 0.000 0.989 243 I CA -0.644 60.559 61.300 -0.163 0.000 1.173 243 I CB 0.615 38.541 38.000 -0.123 0.000 1.338 243 I HN 0.256 nan 8.210 nan 0.000 0.456 244 F N 5.598 125.246 119.950 -0.504 0.000 2.551 244 F HA 0.600 4.938 4.527 -0.316 0.000 0.316 244 F C -0.565 174.824 175.800 -0.686 0.000 1.089 244 F CA -0.654 56.919 58.000 -0.711 0.000 0.915 244 F CB 2.137 40.401 39.000 -1.227 0.000 1.186 244 F HN -0.016 nan 8.300 nan 0.000 0.456 245 V N 2.897 122.604 119.914 -0.344 0.000 2.531 245 V HA 0.298 4.221 4.120 -0.329 0.000 0.301 245 V C -1.605 174.353 176.094 -0.227 0.000 1.034 245 V CA -0.968 61.110 62.300 -0.370 0.000 0.865 245 V CB 1.917 33.312 31.823 -0.714 0.000 0.995 245 V HN 0.562 nan 8.190 nan 0.000 0.424 246 Y N 7.113 127.327 120.300 -0.143 0.000 2.356 246 Y HA 0.752 5.104 4.550 -0.331 0.000 0.334 246 Y C -0.937 175.041 175.900 0.130 0.000 0.958 246 Y CA -1.425 56.673 58.100 -0.003 0.000 1.196 246 Y CB 1.082 39.600 38.460 0.096 0.000 1.137 246 Y HN 0.782 nan 8.280 nan 0.000 0.485 247 W N 3.035 124.274 121.300 -0.103 0.000 2.961 247 W HA 0.674 5.142 4.660 -0.321 0.000 0.368 247 W C -1.704 174.738 176.519 -0.129 0.000 1.213 247 W CA -1.319 55.942 57.345 -0.141 0.000 1.173 247 W CB 0.041 29.495 29.460 -0.011 0.000 1.487 247 W HN 0.510 nan 8.180 nan 0.000 0.585 248 T N -0.939 113.635 114.554 0.033 0.000 2.758 248 T HA 0.331 4.484 4.350 -0.329 0.000 0.285 248 T C -0.259 174.248 174.700 -0.321 0.000 0.981 248 T CA -0.326 61.726 62.100 -0.081 0.000 0.965 248 T CB 1.085 69.905 68.868 -0.079 0.000 0.927 248 T HN 0.640 nan 8.240 nan 0.000 0.448 249 H N 2.476 121.262 119.070 -0.473 0.000 2.730 249 H HA 0.040 4.399 4.556 -0.328 0.000 0.376 249 H C 1.536 176.609 175.328 -0.425 0.000 1.299 249 H CA 0.000 55.645 56.048 -0.673 0.000 1.447 249 H CB 0.931 30.502 29.762 -0.318 0.000 1.493 249 H HN 0.908 nan 8.280 nan 0.000 0.619 250 E N 1.018 120.657 120.200 -0.935 0.000 2.333 250 E HA -0.212 3.941 4.350 -0.329 0.000 0.200 250 E C 0.520 176.904 176.600 -0.359 0.000 1.010 250 E CA 1.275 57.329 56.400 -0.578 0.000 0.841 250 E CB -0.115 29.266 29.700 -0.532 0.000 0.757 250 E HN 0.605 nan 8.360 nan 0.000 0.508 251 D N -0.100 120.111 120.400 -0.315 0.000 2.328 251 D HA 0.086 4.528 4.640 -0.329 0.000 0.221 251 D C 1.328 177.585 176.300 -0.072 0.000 1.072 251 D CA 0.487 54.407 54.000 -0.133 0.000 0.850 251 D CB 0.248 41.019 40.800 -0.049 0.000 0.922 251 D HN 0.289 nan 8.370 nan 0.000 0.516 252 G N -0.446 108.298 108.800 -0.092 0.000 2.179 252 G HA2 -0.260 3.503 3.960 -0.329 0.000 0.260 252 G HA3 -0.260 3.503 3.960 -0.329 0.000 0.260 252 G C 0.153 175.048 174.900 -0.008 0.000 0.977 252 G CA 0.311 45.380 45.100 -0.051 0.000 0.641 252 G HN 0.409 nan 8.290 nan 0.000 0.533 253 V N 1.499 121.428 119.914 0.024 0.000 2.465 253 V HA 0.631 4.553 4.120 -0.329 0.000 0.279 253 V C 0.751 176.903 176.094 0.097 0.000 1.045 253 V CA -0.883 61.463 62.300 0.077 0.000 0.938 253 V CB 1.667 33.560 31.823 0.117 0.000 0.986 253 V HN 0.399 nan 8.190 nan 0.000 0.467 254 L N 5.954 127.240 121.223 0.106 0.000 2.418 254 L HA 0.423 4.566 4.340 -0.329 0.000 0.274 254 L C 0.191 177.196 176.870 0.224 0.000 1.135 254 L CA 0.589 55.489 54.840 0.100 0.000 0.870 254 L CB -0.027 42.072 42.059 0.066 0.000 1.154 254 L HN 0.959 nan 8.230 nan 0.000 0.462 255 E N 3.965 124.328 120.200 0.271 0.000 2.408 255 E HA 0.568 4.721 4.350 -0.329 0.000 0.275 255 E C -1.680 175.162 176.600 0.404 0.000 0.935 255 E CA -1.092 55.534 56.400 0.377 0.000 0.775 255 E CB 1.678 31.592 29.700 0.358 0.000 1.277 255 E HN 0.408 nan 8.360 nan 0.000 0.455 256 L N 2.079 123.545 121.223 0.404 0.000 2.307 256 L HA 0.687 4.830 4.340 -0.329 0.000 0.284 256 L C -1.373 175.646 176.870 0.249 0.000 1.023 256 L CA -0.737 54.312 54.840 0.349 0.000 0.810 256 L CB 1.647 43.974 42.059 0.446 0.000 1.231 256 L HN 0.581 nan 8.230 nan 0.000 0.423 257 V N 4.466 124.422 119.914 0.071 0.000 2.962 257 V HA 0.832 4.755 4.120 -0.329 0.000 0.313 257 V C -0.874 175.084 176.094 -0.227 0.000 1.099 257 V CA 0.016 62.283 62.300 -0.055 0.000 0.971 257 V CB 2.547 34.298 31.823 -0.119 0.000 1.028 257 V HN 0.948 nan 8.190 nan 0.000 0.430 258 T N 5.471 119.846 114.554 -0.298 0.000 2.932 258 T HA 0.595 4.748 4.350 -0.329 0.000 0.318 258 T C -3.094 171.406 174.700 -0.333 0.000 1.265 258 T CA -1.211 60.571 62.100 -0.530 0.000 1.036 258 T CB 2.243 70.491 68.868 -1.033 0.000 1.209 258 T HN 0.571 nan 8.240 nan 0.000 0.484 259 P HA 0.237 nan 4.420 nan 0.000 0.268 259 P C -2.457 174.737 177.300 -0.177 0.000 1.205 259 P CA -0.920 62.068 63.100 -0.187 0.000 0.771 259 P CB -0.049 31.554 31.700 -0.162 0.000 0.858 260 P HA 0.100 nan 4.420 nan 0.000 0.274 260 P C -0.449 176.780 177.300 -0.118 0.000 1.246 260 P CA -0.078 62.959 63.100 -0.104 0.000 0.795 260 P CB 0.719 32.379 31.700 -0.067 0.000 1.006 261 L N 2.454 123.608 121.223 -0.115 0.000 2.384 261 L HA 0.118 4.261 4.340 -0.329 0.000 0.258 261 L C 1.573 178.368 176.870 -0.125 0.000 1.266 261 L CA -0.174 54.585 54.840 -0.135 0.000 1.162 261 L CB -0.994 40.984 42.059 -0.135 0.000 1.375 261 L HN 0.413 nan 8.230 nan 0.000 0.420 262 N N 1.017 119.640 118.700 -0.128 0.000 2.322 262 N HA 0.044 4.587 4.740 -0.329 0.000 0.194 262 N C 1.052 176.477 175.510 -0.142 0.000 1.126 262 N CA 0.626 53.611 53.050 -0.109 0.000 0.845 262 N CB 0.903 39.339 38.487 -0.084 0.000 0.976 262 N HN 0.568 nan 8.380 nan 0.000 0.475 263 G N -0.431 108.256 108.800 -0.188 0.000 2.278 263 G HA2 -0.289 3.474 3.960 -0.329 0.000 0.210 263 G HA3 -0.289 3.474 3.960 -0.329 0.000 0.210 263 G C 0.558 175.282 174.900 -0.293 0.000 1.000 263 G CA 0.289 45.255 45.100 -0.222 0.000 0.635 263 G HN 0.842 nan 8.290 nan 0.000 0.495 264 V N -1.188 118.535 119.914 -0.318 0.000 3.528 264 V HA 0.616 4.539 4.120 -0.329 0.000 0.294 264 V C 0.515 176.428 176.094 -0.302 0.000 1.404 264 V CA -0.403 61.673 62.300 -0.374 0.000 1.065 264 V CB 0.190 31.689 31.823 -0.539 0.000 0.904 264 V HN 0.266 nan 8.190 nan 0.000 0.435 265 I N 2.326 122.742 120.570 -0.256 0.000 2.377 265 I HA 0.429 4.401 4.170 -0.329 0.000 0.293 265 I C -0.215 175.772 176.117 -0.218 0.000 0.987 265 I CA -0.963 60.210 61.300 -0.212 0.000 1.185 265 I CB 1.695 39.582 38.000 -0.188 0.000 1.341 265 I HN 0.083 nan 8.210 nan 0.000 0.455 266 L N 8.684 129.797 121.223 -0.183 0.000 2.360 266 L HA 0.349 4.492 4.340 -0.329 0.000 0.276 266 L C -2.139 174.644 176.870 -0.145 0.000 1.121 266 L CA -1.377 53.363 54.840 -0.167 0.000 0.845 266 L CB 0.923 42.922 42.059 -0.101 0.000 1.143 266 L HN 0.271 nan 8.230 nan 0.000 0.452 267 P HA 0.120 nan 4.420 nan 0.000 0.256 267 P C 0.124 177.369 177.300 -0.092 0.000 1.688 267 P CA -0.197 62.825 63.100 -0.129 0.000 1.162 267 P CB 0.154 31.767 31.700 -0.144 0.000 1.870 268 G N 1.822 110.581 108.800 -0.067 0.000 2.432 268 G HA2 0.091 3.853 3.960 -0.329 0.000 0.239 268 G HA3 0.091 3.853 3.960 -0.329 0.000 0.239 268 G C 1.232 176.115 174.900 -0.029 0.000 1.291 268 G CA -0.463 44.618 45.100 -0.033 0.000 0.863 268 G HN 0.208 nan 8.290 nan 0.000 0.560 269 V N 2.744 122.647 119.914 -0.017 0.000 2.453 269 V HA -0.137 3.786 4.120 -0.329 0.000 0.247 269 V C 2.828 178.931 176.094 0.014 0.000 1.048 269 V CA 1.270 63.558 62.300 -0.019 0.000 1.049 269 V CB -0.315 31.512 31.823 0.006 0.000 0.672 269 V HN 0.552 nan 8.190 nan 0.000 0.457 270 V N 0.169 120.102 119.914 0.032 0.000 2.379 270 V HA -0.197 3.726 4.120 -0.329 0.000 0.245 270 V C 2.545 178.629 176.094 -0.017 0.000 1.044 270 V CA 2.095 64.390 62.300 -0.009 0.000 1.036 270 V CB -0.794 30.994 31.823 -0.057 0.000 0.664 270 V HN 0.495 nan 8.190 nan 0.000 0.453 271 R N 0.223 120.766 120.500 0.071 0.000 2.094 271 R HA -0.302 3.840 4.340 -0.329 0.000 0.239 271 R C 2.424 178.805 176.300 0.137 0.000 1.137 271 R CA 2.456 58.690 56.100 0.223 0.000 0.943 271 R CB -0.352 30.019 30.300 0.118 0.000 0.850 271 R HN 0.453 nan 8.270 nan 0.000 0.433 272 Q N 0.398 120.206 119.800 0.015 0.000 2.135 272 Q HA -0.091 4.051 4.340 -0.329 0.000 0.204 272 Q C 1.983 177.944 176.000 -0.064 0.000 0.981 272 Q CA 2.459 58.244 55.803 -0.030 0.000 0.856 272 Q CB -0.176 28.512 28.738 -0.084 0.000 0.902 272 Q HN 0.354 nan 8.270 nan 0.000 0.425 273 S N -0.156 115.458 115.700 -0.143 0.000 2.383 273 S HA -0.049 4.224 4.470 -0.329 0.000 0.227 273 S C 1.807 176.374 174.600 -0.054 0.000 1.026 273 S CA 1.070 59.148 58.200 -0.204 0.000 0.981 273 S CB -0.245 62.815 63.200 -0.234 0.000 0.818 273 S HN 0.374 nan 8.310 nan 0.000 0.472 274 L N 0.947 122.043 121.223 -0.213 0.000 2.056 274 L HA -0.052 4.091 4.340 -0.329 0.000 0.207 274 L C 2.243 179.016 176.870 -0.162 0.000 1.078 274 L CA 1.002 55.534 54.840 -0.514 0.000 0.749 274 L CB -0.654 40.811 42.059 -0.989 0.000 0.901 274 L HN 0.282 nan 8.230 nan 0.000 0.433 275 L N -0.404 120.837 121.223 0.030 0.000 2.046 275 L HA -0.212 3.930 4.340 -0.329 0.000 0.208 275 L C 2.295 179.206 176.870 0.068 0.000 1.077 275 L CA 1.070 55.980 54.840 0.118 0.000 0.747 275 L CB -0.583 41.556 42.059 0.133 0.000 0.896 275 L HN 0.285 nan 8.230 nan 0.000 0.432 276 D N -0.334 120.116 120.400 0.084 0.000 2.097 276 D HA -0.225 4.218 4.640 -0.329 0.000 0.197 276 D C 2.141 178.477 176.300 0.060 0.000 0.984 276 D CA 1.314 55.395 54.000 0.135 0.000 0.826 276 D CB -0.113 40.882 40.800 0.326 0.000 0.973 276 D HN 0.263 nan 8.370 nan 0.000 0.460 277 M N 0.582 120.208 119.600 0.043 0.000 2.086 277 M HA -0.142 4.141 4.480 -0.329 0.000 0.261 277 M C 2.010 177.855 176.300 -0.758 0.000 1.067 277 M CA 1.708 56.874 55.300 -0.223 0.000 1.116 277 M CB 0.090 32.654 32.600 -0.059 0.000 1.348 277 M HN -0.001 nan 8.290 nan 0.000 0.407 278 A N -0.414 122.094 122.820 -0.520 0.000 1.969 278 A HA -0.189 3.933 4.320 -0.329 0.000 0.218 278 A C 1.873 179.271 177.584 -0.310 0.000 1.169 278 A CA 1.557 53.256 52.037 -0.562 0.000 0.635 278 A CB -0.643 18.376 19.000 0.032 0.000 0.810 278 A HN 0.671 nan 8.150 nan 0.000 0.445 279 Q N -0.977 118.738 119.800 -0.142 0.000 2.079 279 Q HA -0.109 4.033 4.340 -0.329 0.000 0.200 279 Q C 2.113 178.078 176.000 -0.059 0.000 0.974 279 Q CA 1.957 57.728 55.803 -0.054 0.000 0.840 279 Q CB -0.282 28.460 28.738 0.006 0.000 0.898 279 Q HN 0.635 nan 8.270 nan 0.000 0.430 280 T N -0.140 114.356 114.554 -0.098 0.000 2.788 280 T HA -0.159 3.994 4.350 -0.329 0.000 0.268 280 T C 0.939 175.690 174.700 0.085 0.000 1.044 280 T CA 1.044 63.127 62.100 -0.027 0.000 1.139 280 T CB -0.169 68.676 68.868 -0.038 0.000 0.867 280 T HN 0.396 nan 8.240 nan 0.000 0.454 281 W N 0.759 122.010 121.300 -0.082 0.000 2.379 281 W HA 0.228 4.693 4.660 -0.326 0.000 0.307 281 W C 2.088 178.518 176.519 -0.147 0.000 1.200 281 W CA 0.869 58.133 57.345 -0.135 0.000 1.297 281 W CB -1.342 27.982 29.460 -0.227 0.000 1.140 281 W HN 0.433 nan 8.180 nan 0.000 0.507 282 G N 0.445 109.276 108.800 0.053 0.000 2.198 282 G HA2 -0.327 3.435 3.960 -0.329 0.000 0.257 282 G HA3 -0.327 3.435 3.960 -0.329 0.000 0.257 282 G C 0.770 175.660 174.900 -0.017 0.000 1.042 282 G CA 0.561 45.661 45.100 0.000 0.000 0.791 282 G HN 0.413 nan 8.290 nan 0.000 0.502 283 E N -1.425 118.705 120.200 -0.117 0.000 2.364 283 E HA 0.341 4.494 4.350 -0.329 0.000 0.196 283 E C 0.793 177.480 176.600 0.144 0.000 0.990 283 E CA 0.851 57.236 56.400 -0.026 0.000 0.886 283 E CB 0.295 29.981 29.700 -0.023 0.000 0.866 283 E HN 0.826 nan 8.360 nan 0.000 0.493 284 F N -1.780 118.298 119.950 0.213 0.000 2.745 284 F HA 0.467 4.796 4.527 -0.330 0.000 0.316 284 F C -0.598 175.324 175.800 0.204 0.000 1.155 284 F CA -1.631 56.500 58.000 0.217 0.000 0.937 284 F CB 0.887 40.066 39.000 0.298 0.000 1.361 284 F HN -0.422 nan 8.300 nan 0.000 0.472 285 R N 1.435 122.239 120.500 0.506 0.000 2.389 285 R HA 0.564 4.706 4.340 -0.329 0.000 0.295 285 R C -1.681 174.872 176.300 0.422 0.000 1.075 285 R CA -0.228 56.084 56.100 0.353 0.000 1.005 285 R CB 1.026 31.483 30.300 0.262 0.000 0.987 285 R HN 0.679 nan 8.270 nan 0.000 0.452 286 V N 6.349 126.442 119.914 0.297 0.000 2.350 286 V HA 0.320 4.242 4.120 -0.329 0.000 0.285 286 V C -0.275 175.927 176.094 0.180 0.000 1.014 286 V CA -0.586 61.883 62.300 0.282 0.000 0.831 286 V CB 1.407 33.370 31.823 0.232 0.000 1.000 286 V HN 0.615 nan 8.190 nan 0.000 0.433 287 V N 1.703 121.710 119.914 0.155 0.000 3.040 287 V HA 0.673 4.595 4.120 -0.329 0.000 0.312 287 V C -0.623 175.492 176.094 0.035 0.000 1.115 287 V CA -1.001 61.351 62.300 0.086 0.000 0.998 287 V CB 2.426 34.291 31.823 0.070 0.000 1.042 287 V HN 0.753 nan 8.190 nan 0.000 0.433 288 E N 2.243 122.446 120.200 0.004 0.000 2.073 288 E HA 0.595 4.748 4.350 -0.329 0.000 0.269 288 E C -0.692 175.886 176.600 -0.037 0.000 0.917 288 E CA -0.441 55.932 56.400 -0.045 0.000 0.757 288 E CB 1.723 31.392 29.700 -0.051 0.000 1.111 288 E HN 0.552 nan 8.360 nan 0.000 0.410 289 R N 1.807 122.277 120.500 -0.051 0.000 2.698 289 R HA 0.278 4.420 4.340 -0.329 0.000 0.275 289 R C -0.833 175.451 176.300 -0.026 0.000 1.001 289 R CA -0.590 55.497 56.100 -0.022 0.000 0.896 289 R CB 2.034 32.335 30.300 0.001 0.000 1.218 289 R HN 0.357 nan 8.270 nan 0.000 0.462 290 T N 4.153 118.711 114.554 0.007 0.000 2.908 290 T HA 0.196 4.349 4.350 -0.329 0.000 0.301 290 T C 0.271 175.002 174.700 0.052 0.000 1.019 290 T CA 0.505 62.618 62.100 0.022 0.000 1.152 290 T CB -0.080 68.818 68.868 0.050 0.000 0.966 290 T HN 0.270 nan 8.240 nan 0.000 0.540 291 I N 3.548 124.134 120.570 0.027 0.000 2.406 291 I HA 0.380 4.353 4.170 -0.329 0.000 0.290 291 I C 0.693 176.849 176.117 0.065 0.000 0.999 291 I CA -0.864 60.466 61.300 0.050 0.000 1.124 291 I CB 1.981 39.930 38.000 -0.084 0.000 1.289 291 I HN 0.614 nan 8.210 nan 0.000 0.441 292 T N 2.285 116.905 114.554 0.110 0.000 2.918 292 T HA 0.352 4.505 4.350 -0.329 0.000 0.286 292 T C 0.946 175.688 174.700 0.069 0.000 1.026 292 T CA -0.896 61.259 62.100 0.091 0.000 1.031 292 T CB 1.884 70.808 68.868 0.094 0.000 1.046 292 T HN 0.354 nan 8.240 nan 0.000 0.479 293 M N 0.825 120.439 119.600 0.023 0.000 2.202 293 M HA -0.040 4.242 4.480 -0.329 0.000 0.262 293 M C 2.136 178.431 176.300 -0.009 0.000 1.063 293 M CA 1.534 56.780 55.300 -0.091 0.000 1.097 293 M CB -1.153 31.279 32.600 -0.281 0.000 1.382 293 M HN 0.824 nan 8.290 nan 0.000 0.413 294 K N 0.112 120.547 120.400 0.059 0.000 2.057 294 K HA -0.192 3.931 4.320 -0.329 0.000 0.207 294 K C 1.853 178.508 176.600 0.090 0.000 1.049 294 K CA 1.444 57.779 56.287 0.079 0.000 0.931 294 K CB -0.040 32.499 32.500 0.066 0.000 0.714 294 K HN 0.450 nan 8.250 nan 0.000 0.440 295 Q N 0.297 120.172 119.800 0.126 0.000 2.119 295 Q HA -0.143 3.999 4.340 -0.329 0.000 0.201 295 Q C 2.107 178.267 176.000 0.265 0.000 0.972 295 Q CA 1.063 56.975 55.803 0.182 0.000 0.847 295 Q CB -0.028 28.889 28.738 0.299 0.000 0.903 295 Q HN 0.184 nan 8.270 nan 0.000 0.433 296 L N 0.286 121.660 121.223 0.251 0.000 2.109 296 L HA -0.115 4.027 4.340 -0.329 0.000 0.207 296 L C 1.853 178.813 176.870 0.151 0.000 1.086 296 L CA 1.430 56.416 54.840 0.243 0.000 0.760 296 L CB -0.212 41.901 42.059 0.089 0.000 0.910 296 L HN 0.198 nan 8.230 nan 0.000 0.437 297 L N -0.931 120.350 121.223 0.097 0.000 2.093 297 L HA -0.192 3.951 4.340 -0.329 0.000 0.208 297 L C 2.766 179.683 176.870 0.079 0.000 1.085 297 L CA 1.305 56.197 54.840 0.087 0.000 0.755 297 L CB -0.378 41.739 42.059 0.097 0.000 0.904 297 L HN 0.276 nan 8.230 nan 0.000 0.435 298 R N -0.071 120.471 120.500 0.069 0.000 2.075 298 R HA -0.119 4.024 4.340 -0.329 0.000 0.232 298 R C 2.330 178.643 176.300 0.022 0.000 1.126 298 R CA 1.305 57.425 56.100 0.033 0.000 0.963 298 R CB -0.184 30.120 30.300 0.007 0.000 0.858 298 R HN 0.322 nan 8.270 nan 0.000 0.435 299 A N 0.566 123.416 122.820 0.049 0.000 1.969 299 A HA -0.096 4.027 4.320 -0.329 0.000 0.218 299 A C 2.088 179.723 177.584 0.084 0.000 1.169 299 A CA 0.969 53.036 52.037 0.049 0.000 0.635 299 A CB -0.399 18.691 19.000 0.149 0.000 0.810 299 A HN 0.325 nan 8.150 nan 0.000 0.445 300 L N -0.843 120.441 121.223 0.102 0.000 2.109 300 L HA -0.146 3.997 4.340 -0.329 0.000 0.207 300 L C 2.656 179.563 176.870 0.063 0.000 1.086 300 L CA 1.619 56.510 54.840 0.086 0.000 0.760 300 L CB -0.332 41.777 42.059 0.083 0.000 0.910 300 L HN 0.617 nan 8.230 nan 0.000 0.437 301 E N 0.558 120.790 120.200 0.053 0.000 2.204 301 E HA -0.225 3.928 4.350 -0.329 0.000 0.194 301 E C 1.336 177.951 176.600 0.024 0.000 0.989 301 E CA 1.078 57.502 56.400 0.040 0.000 0.824 301 E CB 0.196 29.917 29.700 0.036 0.000 0.756 301 E HN 0.543 nan 8.360 nan 0.000 0.477 302 E N -0.912 119.297 120.200 0.015 0.000 2.474 302 E HA 0.120 4.273 4.350 -0.329 0.000 0.195 302 E C 0.679 177.281 176.600 0.003 0.000 1.039 302 E CA 0.270 56.668 56.400 -0.002 0.000 0.881 302 E CB 0.695 30.378 29.700 -0.029 0.000 0.970 302 E HN 0.413 nan 8.360 nan 0.000 0.486 303 G N 2.256 111.070 108.800 0.023 0.000 2.225 303 G HA2 -0.367 3.396 3.960 -0.329 0.000 0.267 303 G HA3 -0.367 3.396 3.960 -0.329 0.000 0.267 303 G C 0.816 175.729 174.900 0.021 0.000 1.024 303 G CA 0.520 45.638 45.100 0.030 0.000 0.784 303 G HN 0.271 nan 8.290 nan 0.000 0.507 304 R N -1.102 119.410 120.500 0.020 0.000 2.276 304 R HA 0.191 4.334 4.340 -0.329 0.000 0.196 304 R C 0.904 177.253 176.300 0.083 0.000 0.961 304 R CA 0.403 56.508 56.100 0.008 0.000 1.024 304 R CB 0.465 30.729 30.300 -0.061 0.000 0.940 304 R HN 0.357 nan 8.270 nan 0.000 0.480 305 V N 1.536 121.527 119.914 0.129 0.000 2.461 305 V HA 0.129 4.052 4.120 -0.329 0.000 0.275 305 V C 1.059 177.204 176.094 0.085 0.000 1.047 305 V CA 0.008 62.411 62.300 0.171 0.000 0.955 305 V CB 1.517 33.443 31.823 0.172 0.000 0.988 305 V HN 0.213 nan 8.190 nan 0.000 0.471 306 R N 2.469 123.003 120.500 0.057 0.000 2.072 306 R HA 0.289 4.432 4.340 -0.329 0.000 0.214 306 R C -0.023 176.363 176.300 0.144 0.000 1.168 306 R CA 0.446 56.571 56.100 0.042 0.000 1.020 306 R CB 0.413 30.651 30.300 -0.105 0.000 0.914 306 R HN 0.710 nan 8.270 nan 0.000 0.449 307 E N 0.310 120.661 120.200 0.250 0.000 2.308 307 E HA 0.363 4.515 4.350 -0.329 0.000 0.275 307 E C -1.649 175.144 176.600 0.321 0.000 0.890 307 E CA -0.541 56.047 56.400 0.314 0.000 0.754 307 E CB 3.330 33.287 29.700 0.428 0.000 1.207 307 E HN -0.165 nan 8.360 nan 0.000 0.426 308 V N 3.642 123.719 119.914 0.272 0.000 2.540 308 V HA 0.648 4.571 4.120 -0.329 0.000 0.302 308 V C -0.866 175.440 176.094 0.353 0.000 1.035 308 V CA -0.709 61.701 62.300 0.184 0.000 0.873 308 V CB 0.591 32.449 31.823 0.057 0.000 0.992 308 V HN 0.631 nan 8.190 nan 0.000 0.428 309 F N 1.606 121.622 119.950 0.110 0.000 2.711 309 F HA 0.963 5.297 4.527 -0.323 0.000 0.313 309 F C 0.061 175.951 175.800 0.151 0.000 1.141 309 F CA -1.027 57.043 58.000 0.118 0.000 0.941 309 F CB 1.465 40.522 39.000 0.095 0.000 1.349 309 F HN 0.636 nan 8.300 nan 0.000 0.464 310 G N 0.024 109.057 108.800 0.388 0.000 2.432 310 G HA2 0.588 4.350 3.960 -0.329 0.000 0.331 310 G HA3 0.588 4.350 3.960 -0.329 0.000 0.331 310 G C -1.547 173.524 174.900 0.285 0.000 1.170 310 G CA -0.601 44.654 45.100 0.259 0.000 0.943 310 G HN 1.148 nan 8.290 nan 0.000 0.483 311 S N -0.375 115.458 115.700 0.222 0.000 2.548 311 S HA 0.942 5.215 4.470 -0.329 0.000 0.286 311 S C -0.225 174.411 174.600 0.059 0.000 1.098 311 S CA -0.020 58.267 58.200 0.145 0.000 0.930 311 S CB 2.124 65.442 63.200 0.196 0.000 1.070 311 S HN 2.106 nan 8.310 nan 0.000 0.480 312 G N 0.668 109.460 108.800 -0.014 0.000 2.338 312 G HA2 0.409 4.171 3.960 -0.329 0.000 0.295 312 G HA3 0.409 4.171 3.960 -0.329 0.000 0.295 312 G C 0.097 174.952 174.900 -0.075 0.000 1.461 312 G CA -0.055 45.024 45.100 -0.035 0.000 0.817 312 G HN 0.626 nan 8.290 nan 0.000 0.556 313 T N 0.969 115.506 114.554 -0.029 0.000 2.708 313 T HA -0.005 4.148 4.350 -0.329 0.000 0.266 313 T C 2.800 177.465 174.700 -0.058 0.000 1.037 313 T CA 2.731 64.833 62.100 0.003 0.000 1.146 313 T CB -0.398 68.550 68.868 0.134 0.000 0.865 313 T HN 1.034 nan 8.240 nan 0.000 0.435 314 A N 1.304 124.021 122.820 -0.173 0.000 1.877 314 A HA 0.158 4.281 4.320 -0.329 0.000 0.216 314 A C 2.491 179.745 177.584 -0.551 0.000 1.186 314 A CA 1.935 53.728 52.037 -0.406 0.000 0.620 314 A CB -0.904 17.655 19.000 -0.735 0.000 0.822 314 A HN 0.525 nan 8.150 nan 0.000 0.443 315 A N -3.767 118.616 122.820 -0.728 0.000 2.115 315 A HA 0.284 4.406 4.320 -0.329 0.000 0.211 315 A C 1.364 178.717 177.584 -0.386 0.000 1.169 315 A CA 1.222 52.619 52.037 -1.066 0.000 0.787 315 A CB 0.010 18.250 19.000 -1.265 0.000 0.858 315 A HN 0.432 nan 8.150 nan 0.000 0.474 316 Q N -2.290 117.383 119.800 -0.211 0.000 2.576 316 Q HA -0.203 3.939 4.340 -0.329 0.000 0.198 316 Q C -0.100 175.868 176.000 -0.053 0.000 2.845 316 Q CA 1.965 57.711 55.803 -0.094 0.000 0.325 316 Q CB -1.748 26.979 28.738 -0.018 0.000 0.538 316 Q HN 0.661 nan 8.270 nan 0.000 0.423 317 V N 0.879 120.814 119.914 0.034 0.000 2.482 317 V HA 0.751 4.673 4.120 -0.329 0.000 0.295 317 V C -0.657 175.549 176.094 0.187 0.000 1.026 317 V CA -0.041 62.287 62.300 0.047 0.000 0.856 317 V CB 1.592 33.349 31.823 -0.110 0.000 1.001 317 V HN 0.532 nan 8.190 nan 0.000 0.424 318 A N 7.688 130.647 122.820 0.233 0.000 2.277 318 A HA 0.849 4.972 4.320 -0.329 0.000 0.318 318 A C -2.514 175.242 177.584 0.288 0.000 1.339 318 A CA -1.692 50.553 52.037 0.346 0.000 0.875 318 A CB 0.788 19.958 19.000 0.283 0.000 1.158 318 A HN 0.550 nan 8.150 nan 0.000 0.514 319 P HA 0.244 nan 4.420 nan 0.000 0.271 319 P C -0.457 176.967 177.300 0.206 0.000 1.218 319 P CA 0.073 63.276 63.100 0.172 0.000 0.780 319 P CB 1.251 32.972 31.700 0.034 0.000 0.901 320 V N 3.856 123.897 119.914 0.212 0.000 2.495 320 V HA 0.208 4.131 4.120 -0.329 0.000 0.298 320 V C 1.238 177.458 176.094 0.209 0.000 1.031 320 V CA -0.236 62.188 62.300 0.206 0.000 0.871 320 V CB 1.196 33.107 31.823 0.147 0.000 0.988 320 V HN 0.782 nan 8.190 nan 0.000 0.432 321 H N 3.653 122.747 119.070 0.040 0.000 3.017 321 H HA 0.370 4.728 4.556 -0.330 0.000 0.255 321 H C 0.501 175.815 175.328 -0.023 0.000 0.990 321 H CA -0.315 55.726 56.048 -0.011 0.000 1.205 321 H CB 0.765 30.568 29.762 0.069 0.000 1.460 321 H HN 0.512 nan 8.280 nan 0.000 0.478 322 R N 0.558 120.854 120.500 -0.340 0.000 2.651 322 R HA 0.601 4.744 4.340 -0.329 0.000 0.278 322 R C -1.734 174.501 176.300 -0.109 0.000 1.010 322 R CA -0.622 55.312 56.100 -0.276 0.000 0.896 322 R CB 2.001 32.036 30.300 -0.441 0.000 1.211 322 R HN 0.108 nan 8.270 nan 0.000 0.456 323 I N 4.730 125.269 120.570 -0.051 0.000 2.466 323 I HA 0.275 4.247 4.170 -0.329 0.000 0.289 323 I C -1.049 175.087 176.117 0.031 0.000 1.026 323 I CA -1.084 60.210 61.300 -0.010 0.000 1.078 323 I CB 2.037 40.030 38.000 -0.012 0.000 1.249 323 I HN 0.421 nan 8.210 nan 0.000 0.429 324 L N 8.485 129.733 121.223 0.043 0.000 2.255 324 L HA 0.392 4.535 4.340 -0.329 0.000 0.289 324 L C -1.441 175.517 176.870 0.147 0.000 1.046 324 L CA -0.128 54.755 54.840 0.071 0.000 0.816 324 L CB 0.363 42.445 42.059 0.037 0.000 1.197 324 L HN 0.496 nan 8.230 nan 0.000 0.427 325 Y N 5.045 125.344 120.300 -0.000 0.000 2.346 325 Y HA 0.350 4.703 4.550 -0.328 0.000 0.332 325 Y C 0.287 176.195 175.900 0.013 0.000 0.985 325 Y CA -0.970 57.132 58.100 0.003 0.000 1.112 325 Y CB 0.913 39.382 38.460 0.015 0.000 1.170 325 Y HN 0.687 nan 8.280 nan 0.000 0.447 326 K N 5.335 125.538 120.400 -0.328 0.000 3.148 326 K HA -0.296 3.827 4.320 -0.329 0.000 0.267 326 K C -0.174 176.339 176.600 -0.145 0.000 0.996 326 K CA 1.460 57.539 56.287 -0.347 0.000 0.737 326 K CB -1.117 31.033 32.500 -0.584 0.000 1.308 326 K HN 1.066 nan 8.250 nan 0.000 0.470 327 D N -1.263 119.098 120.400 -0.065 0.000 3.067 327 D HA -0.232 4.211 4.640 -0.329 0.000 0.216 327 D C 0.060 176.359 176.300 -0.001 0.000 1.162 327 D CA 1.800 55.786 54.000 -0.022 0.000 0.960 327 D CB -0.133 40.651 40.800 -0.027 0.000 1.129 327 D HN 0.497 nan 8.370 nan 0.000 0.408 328 R N 0.793 121.300 120.500 0.012 0.000 2.393 328 R HA 0.355 4.497 4.340 -0.329 0.000 0.310 328 R C -0.749 175.591 176.300 0.066 0.000 0.968 328 R CA -0.599 55.524 56.100 0.038 0.000 0.867 328 R CB 0.667 30.994 30.300 0.046 0.000 1.124 328 R HN -0.034 nan 8.270 nan 0.000 0.450 329 N N 4.767 123.499 118.700 0.054 0.000 2.472 329 N HA 0.211 4.754 4.740 -0.329 0.000 0.277 329 N C -0.850 174.703 175.510 0.071 0.000 1.081 329 N CA -0.025 53.058 53.050 0.055 0.000 0.973 329 N CB 1.229 39.740 38.487 0.040 0.000 1.105 329 N HN 0.442 nan 8.380 nan 0.000 0.470 330 L N 2.624 123.889 121.223 0.068 0.000 2.319 330 L HA 0.250 4.392 4.340 -0.329 0.000 0.281 330 L C -0.117 176.789 176.870 0.062 0.000 1.005 330 L CA -0.839 54.045 54.840 0.073 0.000 0.828 330 L CB 1.204 43.302 42.059 0.064 0.000 1.227 330 L HN 0.481 nan 8.230 nan 0.000 0.415 331 H N 4.662 123.739 119.070 0.012 0.000 2.620 331 H HA 0.419 4.779 4.556 -0.327 0.000 0.313 331 H C -0.690 174.661 175.328 0.038 0.000 1.075 331 H CA -0.312 55.741 56.048 0.010 0.000 1.397 331 H CB 0.804 30.580 29.762 0.024 0.000 1.446 331 H HN 0.306 nan 8.280 nan 0.000 0.493 332 I N 8.471 128.679 120.570 -0.604 0.000 2.330 332 I HA 0.178 4.151 4.170 -0.329 0.000 0.289 332 I C -1.932 173.871 176.117 -0.523 0.000 1.001 332 I CA -2.416 58.675 61.300 -0.350 0.000 1.193 332 I CB 1.680 39.601 38.000 -0.132 0.000 1.345 332 I HN 0.657 nan 8.210 nan 0.000 0.461 333 P HA 0.008 nan 4.420 nan 0.000 0.279 333 P C 0.999 178.319 177.300 0.034 0.000 1.451 333 P CA 0.301 63.374 63.100 -0.044 0.000 0.783 333 P CB -0.138 31.602 31.700 0.067 0.000 1.490 334 T N 0.196 114.764 114.554 0.024 0.000 2.635 334 T HA -0.162 3.991 4.350 -0.329 0.000 0.267 334 T C 1.851 176.594 174.700 0.071 0.000 1.040 334 T CA 1.494 63.642 62.100 0.080 0.000 1.156 334 T CB -0.375 68.556 68.868 0.105 0.000 0.863 334 T HN 0.074 nan 8.240 nan 0.000 0.430 335 M N 0.998 120.641 119.600 0.072 0.000 2.175 335 M HA 0.018 4.301 4.480 -0.329 0.000 0.264 335 M C 2.094 178.429 176.300 0.058 0.000 1.063 335 M CA 1.329 56.658 55.300 0.048 0.000 1.119 335 M CB -1.301 31.325 32.600 0.044 0.000 1.377 335 M HN 0.204 nan 8.290 nan 0.000 0.415 336 E N 0.264 120.522 120.200 0.097 0.000 2.268 336 E HA -0.063 4.089 4.350 -0.329 0.000 0.195 336 E C 1.182 177.820 176.600 0.063 0.000 0.995 336 E CA 0.563 57.015 56.400 0.087 0.000 0.836 336 E CB -0.251 29.524 29.700 0.125 0.000 0.763 336 E HN 0.377 nan 8.360 nan 0.000 0.491 337 N N -0.528 118.211 118.700 0.064 0.000 2.313 337 N HA 0.119 4.662 4.740 -0.329 0.000 0.207 337 N C 0.589 176.129 175.510 0.050 0.000 1.141 337 N CA 0.779 53.865 53.050 0.059 0.000 0.830 337 N CB 1.241 39.774 38.487 0.076 0.000 1.008 337 N HN 0.259 nan 8.380 nan 0.000 0.481 338 G N 0.951 109.769 108.800 0.030 0.000 2.083 338 G HA2 -0.164 3.599 3.960 -0.329 0.000 0.199 338 G HA3 -0.164 3.599 3.960 -0.329 0.000 0.199 338 G C -2.376 172.514 174.900 -0.017 0.000 2.367 338 G CA -0.588 44.516 45.100 0.007 0.000 1.555 338 G HN 0.239 nan 8.290 nan 0.000 0.490 339 P HA 0.341 nan 4.420 nan 0.000 0.280 339 P C 0.433 177.708 177.300 -0.040 0.000 1.386 339 P CA 0.214 63.305 63.100 -0.015 0.000 0.899 339 P CB 1.547 33.221 31.700 -0.042 0.000 1.098 340 E N 2.123 122.321 120.200 -0.003 0.000 2.049 340 E HA -0.226 3.926 4.350 -0.329 0.000 0.198 340 E C 1.487 178.027 176.600 -0.102 0.000 1.007 340 E CA 1.119 57.502 56.400 -0.029 0.000 0.809 340 E CB -0.103 29.611 29.700 0.024 0.000 0.749 340 E HN 0.262 nan 8.360 nan 0.000 0.450 341 L N 0.757 121.894 121.223 -0.142 0.000 2.056 341 L HA -0.114 4.028 4.340 -0.329 0.000 0.207 341 L C 2.103 178.777 176.870 -0.328 0.000 1.078 341 L CA 1.451 56.082 54.840 -0.347 0.000 0.749 341 L CB -0.284 41.385 42.059 -0.650 0.000 0.901 341 L HN 0.246 nan 8.230 nan 0.000 0.433 342 I N -1.135 119.261 120.570 -0.290 0.000 2.179 342 I HA -0.335 3.637 4.170 -0.329 0.000 0.242 342 I C 2.356 178.391 176.117 -0.136 0.000 1.088 342 I CA 1.346 62.461 61.300 -0.308 0.000 1.357 342 I CB -0.310 37.462 38.000 -0.379 0.000 1.051 342 I HN 0.245 nan 8.210 nan 0.000 0.409 343 L N 0.118 121.269 121.223 -0.120 0.000 2.083 343 L HA -0.219 3.924 4.340 -0.329 0.000 0.209 343 L C 2.757 179.606 176.870 -0.035 0.000 1.083 343 L CA 1.274 56.069 54.840 -0.074 0.000 0.752 343 L CB -0.493 41.522 42.059 -0.075 0.000 0.899 343 L HN 0.217 nan 8.230 nan 0.000 0.433 344 R N -0.340 120.121 120.500 -0.064 0.000 2.073 344 R HA -0.129 4.013 4.340 -0.329 0.000 0.229 344 R C 2.345 178.730 176.300 0.141 0.000 1.120 344 R CA 1.340 57.414 56.100 -0.043 0.000 0.967 344 R CB -0.191 29.994 30.300 -0.191 0.000 0.862 344 R HN 0.226 nan 8.270 nan 0.000 0.436 345 F N 0.465 120.470 119.950 0.091 0.000 2.146 345 F HA -0.176 4.156 4.527 -0.325 0.000 0.298 345 F C 2.683 178.492 175.800 0.014 0.000 1.096 345 F CA 0.886 58.929 58.000 0.072 0.000 1.275 345 F CB 0.037 38.987 39.000 -0.082 0.000 1.008 345 F HN 0.166 nan 8.300 nan 0.000 0.480 346 Q N 0.501 120.408 119.800 0.177 0.000 2.079 346 Q HA -0.240 3.903 4.340 -0.329 0.000 0.200 346 Q C 2.175 178.232 176.000 0.095 0.000 0.974 346 Q CA 1.484 57.343 55.803 0.094 0.000 0.840 346 Q CB -0.028 28.738 28.738 0.045 0.000 0.898 346 Q HN 0.260 nan 8.270 nan 0.000 0.430 347 K N 0.416 120.870 120.400 0.090 0.000 2.026 347 K HA -0.183 3.940 4.320 -0.329 0.000 0.208 347 K C 1.689 178.352 176.600 0.105 0.000 1.048 347 K CA 1.568 57.901 56.287 0.076 0.000 0.929 347 K CB 0.089 32.614 32.500 0.042 0.000 0.713 347 K HN 0.201 nan 8.250 nan 0.000 0.439 348 E N 0.561 120.857 120.200 0.159 0.000 2.150 348 E HA -0.168 3.985 4.350 -0.329 0.000 0.193 348 E C 2.147 178.833 176.600 0.142 0.000 0.985 348 E CA 0.833 57.344 56.400 0.185 0.000 0.814 348 E CB -0.007 29.882 29.700 0.315 0.000 0.752 348 E HN 0.353 nan 8.360 nan 0.000 0.466 349 L N 0.868 122.162 121.223 0.117 0.000 2.027 349 L HA -0.166 3.977 4.340 -0.329 0.000 0.206 349 L C 2.460 179.299 176.870 -0.053 0.000 1.074 349 L CA 1.188 56.039 54.840 0.017 0.000 0.745 349 L CB -0.243 41.773 42.059 -0.072 0.000 0.898 349 L HN 0.018 nan 8.230 nan 0.000 0.433 350 K N 0.004 120.417 120.400 0.022 0.000 2.103 350 K HA -0.212 3.911 4.320 -0.329 0.000 0.207 350 K C 1.968 178.659 176.600 0.150 0.000 1.048 350 K CA 1.513 57.874 56.287 0.124 0.000 0.930 350 K CB -0.043 32.568 32.500 0.184 0.000 0.716 350 K HN 0.360 nan 8.250 nan 0.000 0.444 351 E N 0.330 120.591 120.200 0.101 0.000 2.106 351 E HA -0.153 4.000 4.350 -0.329 0.000 0.192 351 E C 1.984 178.633 176.600 0.082 0.000 0.984 351 E CA 0.974 57.434 56.400 0.100 0.000 0.806 351 E CB -0.006 29.746 29.700 0.088 0.000 0.750 351 E HN 0.312 nan 8.360 nan 0.000 0.458 352 I N 0.821 121.421 120.570 0.050 0.000 2.333 352 I HA -0.230 3.743 4.170 -0.329 0.000 0.246 352 I C 2.343 178.459 176.117 -0.002 0.000 1.106 352 I CA 0.957 62.289 61.300 0.054 0.000 1.411 352 I CB -0.116 37.906 38.000 0.036 0.000 1.082 352 I HN 0.049 nan 8.210 nan 0.000 0.420 353 Q N -0.126 119.550 119.800 -0.206 0.000 2.119 353 Q HA -0.157 3.986 4.340 -0.329 0.000 0.201 353 Q C 1.100 176.740 176.000 -0.600 0.000 0.972 353 Q CA 1.507 56.929 55.803 -0.635 0.000 0.847 353 Q CB 0.003 27.824 28.738 -1.529 0.000 0.903 353 Q HN 0.551 nan 8.270 nan 0.000 0.433 354 Y N -0.879 119.340 120.300 -0.135 0.000 2.532 354 Y HA 0.260 4.613 4.550 -0.328 0.000 0.283 354 Y C 1.266 177.189 175.900 0.037 0.000 1.181 354 Y CA 0.096 58.191 58.100 -0.009 0.000 1.256 354 Y CB 0.665 39.129 38.460 0.007 0.000 1.112 354 Y HN 0.175 nan 8.280 nan 0.000 0.521 355 G N 0.540 109.415 108.800 0.124 0.000 2.166 355 G HA2 -0.356 3.407 3.960 -0.329 0.000 0.260 355 G HA3 -0.356 3.407 3.960 -0.329 0.000 0.260 355 G C 1.071 176.036 174.900 0.109 0.000 0.986 355 G CA 0.860 46.031 45.100 0.118 0.000 0.683 355 G HN 0.553 nan 8.290 nan 0.000 0.527 356 I N -0.409 120.230 120.570 0.114 0.000 2.286 356 I HA -0.000 3.972 4.170 -0.329 0.000 0.248 356 I C 1.695 177.856 176.117 0.073 0.000 1.115 356 I CA 1.495 62.848 61.300 0.088 0.000 1.392 356 I CB 0.027 38.078 38.000 0.086 0.000 1.065 356 I HN 0.334 nan 8.210 nan 0.000 0.418 357 R N 1.124 121.674 120.500 0.083 0.000 2.561 357 R HA 0.608 4.751 4.340 -0.329 0.000 0.297 357 R C -0.893 175.465 176.300 0.096 0.000 0.969 357 R CA -0.645 55.502 56.100 0.078 0.000 0.879 357 R CB 1.489 31.840 30.300 0.086 0.000 1.178 357 R HN 0.014 nan 8.270 nan 0.000 0.445 358 A N 3.429 126.293 122.820 0.073 0.000 2.450 358 A HA 0.277 4.400 4.320 -0.329 0.000 0.255 358 A C -0.950 176.682 177.584 0.081 0.000 1.096 358 A CA 0.087 52.168 52.037 0.074 0.000 0.778 358 A CB 0.154 19.174 19.000 0.034 0.000 1.031 358 A HN 0.909 nan 8.150 nan 0.000 0.494 359 H N 0.148 119.225 119.070 0.012 0.000 3.038 359 H HA 0.293 4.652 4.556 -0.328 0.000 0.362 359 H C 0.918 176.266 175.328 0.034 0.000 1.167 359 H CA -0.020 56.006 56.048 -0.037 0.000 1.197 359 H CB 1.390 31.110 29.762 -0.070 0.000 1.840 359 H HN 0.785 nan 8.280 nan 0.000 0.540 360 E N 2.752 122.966 120.200 0.023 0.000 2.338 360 E HA -0.152 4.001 4.350 -0.329 0.000 0.197 360 E C 0.524 177.413 176.600 0.482 0.000 1.007 360 E CA 0.616 57.120 56.400 0.173 0.000 0.849 360 E CB 0.075 29.781 29.700 0.009 0.000 0.774 360 E HN 0.587 nan 8.360 nan 0.000 0.506 361 W N 1.063 122.629 121.300 0.443 0.000 2.465 361 W HA 0.091 4.558 4.660 -0.323 0.000 0.268 361 W C 0.669 177.325 176.519 0.227 0.000 1.242 361 W CA 0.104 57.610 57.345 0.267 0.000 1.248 361 W CB -0.271 29.160 29.460 -0.047 0.000 1.118 361 W HN 0.094 nan 8.180 nan 0.000 0.587 362 M N -0.026 119.860 119.600 0.476 0.000 2.180 362 M HA 0.149 4.431 4.480 -0.329 0.000 0.358 362 M C -0.790 175.741 176.300 0.385 0.000 1.233 362 M CA -1.113 54.394 55.300 0.344 0.000 1.114 362 M CB 0.029 32.788 32.600 0.266 0.000 1.594 362 M HN -0.191 nan 8.290 nan 0.000 0.467 363 F N 6.864 126.864 119.950 0.083 0.000 2.361 363 F HA 0.559 4.890 4.527 -0.327 0.000 0.364 363 F C -2.156 173.675 175.800 0.052 0.000 1.117 363 F CA -2.269 55.760 58.000 0.049 0.000 1.071 363 F CB 1.161 40.006 39.000 -0.258 0.000 1.188 363 F HN 0.328 nan 8.300 nan 0.000 0.464 364 P HA 0.145 nan 4.420 nan 0.000 0.280 364 P C -0.534 176.544 177.300 -0.370 0.000 1.244 364 P CA 0.022 62.970 63.100 -0.253 0.000 0.784 364 P CB 1.984 33.582 31.700 -0.170 0.000 0.913 365 V N 0.000 119.839 119.914 -0.125 0.000 2.409 365 V HA 0.000 3.923 4.120 -0.329 0.000 0.244 365 V CA 0.000 62.262 62.300 -0.063 0.000 1.235 365 V CB 0.000 31.843 31.823 0.033 0.000 1.184 365 V HN 0.000 nan 8.190 nan 0.000 0.556