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 1tub_1_B DATA FIRST_RESID 1 DATA SEQUENCE MREIVHIQAG QCGNQIGAKF WEVISDEHGI DPTGSYHGDS DLQLXXERIN DATA SEQUENCE VYYNEAAGNK YVPRAILVDL EPGTMDSVRS GPFGQIFRPD NFVFGQSGAG DATA SEQUENCE NNWAKGHYTE GAELVDSVLD VVRKESESCD CLQGFQLTHS LGGGTGSGMG DATA SEQUENCE TLLISKIREE YPDRIMNTFS VVPSPKVSDT VVEPYNATLS VHQLVENTDE DATA SEQUENCE TYCIDNEALY DICFRTLKLT TPTYGDLNHL VSATMSGVTT CLRFPGQLNA DATA SEQUENCE DLRKLAVNMV PFPRLHFFMP GFAPLTSRGS QQYRALTVPE LTQQMFDAKN DATA SEQUENCE MMAACDPRHG RYLTVAAVFR GRMSMKEVDE QMLNVQNKNS SYFVEWIPNN DATA SEQUENCE VKTAVCDIPP XXXXXXXXRG LKMSATFIGN STAIQELFKR ISEQFTAMFR DATA SEQUENCE RKAFLHWYTG EGMDEMEFTE AESNMNDLVS EYQQYQD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.330 176.300 0.050 0.000 1.140 1 M CA 0.000 55.328 55.300 0.046 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 R N 2.012 122.538 120.500 0.044 0.000 1.206 2 R HA -0.180 4.160 4.340 -0.000 0.000 0.171 2 R C -0.294 176.028 176.300 0.037 0.000 0.459 2 R CA 0.962 57.086 56.100 0.040 0.000 0.276 2 R CB -1.347 28.981 30.300 0.047 0.000 1.672 2 R HN 0.608 nan 8.270 nan 0.000 0.583 3 E N 0.836 121.050 120.200 0.023 0.000 2.605 3 E HA 0.458 4.808 4.350 -0.000 0.000 0.255 3 E C -0.101 176.467 176.600 -0.053 0.000 1.369 3 E CA -0.404 56.000 56.400 0.007 0.000 1.017 3 E CB 0.490 30.192 29.700 0.004 0.000 1.086 3 E HN 0.493 nan 8.360 nan 0.000 0.605 4 I N 0.593 121.099 120.570 -0.108 0.000 2.775 4 I HA 0.164 4.333 4.170 -0.000 0.000 0.295 4 I C -1.313 174.525 176.117 -0.465 0.000 1.287 4 I CA -0.880 60.263 61.300 -0.262 0.000 1.029 4 I CB 2.237 40.116 38.000 -0.202 0.000 1.282 4 I HN 0.185 nan 8.210 nan 0.000 0.426 5 V N 4.846 124.398 119.914 -0.602 0.000 2.311 5 V HA 0.341 4.460 4.120 -0.000 0.000 0.275 5 V C -0.450 175.368 176.094 -0.461 0.000 1.022 5 V CA -0.520 61.395 62.300 -0.642 0.000 0.830 5 V CB 0.593 31.728 31.823 -1.148 0.000 1.012 5 V HN 0.529 nan 8.190 nan 0.000 0.452 6 H N 5.875 124.937 119.070 -0.014 0.000 2.519 6 H HA 0.563 5.119 4.556 -0.000 0.000 0.316 6 H C -0.480 174.893 175.328 0.076 0.000 1.065 6 H CA -0.443 55.685 56.048 0.133 0.000 1.264 6 H CB 1.783 31.761 29.762 0.360 0.000 1.413 6 H HN 0.478 nan 8.280 nan 0.000 0.465 7 I N 3.608 124.310 120.570 0.220 0.000 2.439 7 I HA 0.172 4.342 4.170 -0.000 0.000 0.283 7 I C -0.358 175.855 176.117 0.161 0.000 1.023 7 I CA -0.422 60.970 61.300 0.152 0.000 1.100 7 I CB 1.652 39.741 38.000 0.148 0.000 1.238 7 I HN 0.337 nan 8.210 nan 0.000 0.445 8 Q N 5.431 125.306 119.800 0.124 0.000 2.333 8 Q HA 0.801 5.141 4.340 -0.000 0.000 0.268 8 Q C -0.832 175.229 176.000 0.102 0.000 1.007 8 Q CA -0.643 55.230 55.803 0.117 0.000 0.810 8 Q CB 2.942 31.738 28.738 0.096 0.000 1.264 8 Q HN 0.761 nan 8.270 nan 0.000 0.452 9 A N 1.785 124.679 122.820 0.123 0.000 2.413 9 A HA 0.950 5.270 4.320 -0.000 0.000 0.307 9 A C 0.305 177.961 177.584 0.120 0.000 1.087 9 A CA 0.101 52.209 52.037 0.119 0.000 0.750 9 A CB 1.261 20.343 19.000 0.137 0.000 1.296 9 A HN 0.858 nan 8.150 nan 0.000 0.423 10 G N 0.218 109.086 108.800 0.114 0.000 2.552 10 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.265 10 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.265 10 G C 0.747 175.702 174.900 0.091 0.000 1.234 10 G CA 1.190 46.354 45.100 0.106 0.000 0.944 10 G HN 1.259 nan 8.290 nan 0.000 0.568 11 Q N -1.213 118.636 119.800 0.080 0.000 2.084 11 Q HA 0.133 4.473 4.340 -0.000 0.000 0.194 11 Q C 2.887 178.924 176.000 0.062 0.000 0.969 11 Q CA 2.469 58.308 55.803 0.061 0.000 0.829 11 Q CB -0.648 28.116 28.738 0.044 0.000 0.904 11 Q HN 0.772 nan 8.270 nan 0.000 0.464 12 C N 0.118 119.460 119.300 0.070 0.000 2.419 12 C HA 0.013 4.473 4.460 -0.000 0.000 0.281 12 C C 2.436 177.474 174.990 0.081 0.000 1.336 12 C CA 0.931 59.998 59.018 0.081 0.000 1.770 12 C CB -1.381 26.412 27.740 0.088 0.000 1.929 12 C HN 0.761 nan 8.230 nan 0.000 0.509 13 G N 0.592 109.447 108.800 0.091 0.000 2.408 13 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.213 13 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.213 13 G C 1.496 176.439 174.900 0.072 0.000 1.177 13 G CA 0.430 45.586 45.100 0.094 0.000 0.802 13 G HN 0.500 nan 8.290 nan 0.000 0.533 14 N N 0.320 119.064 118.700 0.074 0.000 2.171 14 N HA -0.074 4.666 4.740 -0.000 0.000 0.184 14 N C 2.144 177.685 175.510 0.052 0.000 1.021 14 N CA 0.992 54.080 53.050 0.063 0.000 0.854 14 N CB -0.328 38.199 38.487 0.067 0.000 0.994 14 N HN 0.465 nan 8.380 nan 0.000 0.426 15 Q N 0.400 120.230 119.800 0.050 0.000 2.083 15 Q HA 0.027 4.367 4.340 -0.000 0.000 0.198 15 Q C 1.675 177.699 176.000 0.040 0.000 0.969 15 Q CA 0.654 56.481 55.803 0.041 0.000 0.838 15 Q CB 0.156 28.918 28.738 0.040 0.000 0.900 15 Q HN 0.149 nan 8.270 nan 0.000 0.436 16 I N 0.768 121.363 120.570 0.041 0.000 2.657 16 I HA -0.163 4.007 4.170 -0.000 0.000 0.261 16 I C 2.120 178.258 176.117 0.034 0.000 1.212 16 I CA 1.363 62.673 61.300 0.016 0.000 1.453 16 I CB -1.534 36.458 38.000 -0.013 0.000 1.092 16 I HN 0.325 nan 8.210 nan 0.000 0.452 17 G N 0.640 109.486 108.800 0.077 0.000 2.421 17 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.217 17 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.217 17 G C 1.874 176.921 174.900 0.245 0.000 1.143 17 G CA 0.716 45.941 45.100 0.208 0.000 0.784 17 G HN 0.465 nan 8.290 nan 0.000 0.541 18 A N 0.560 123.438 122.820 0.096 0.000 1.940 18 A HA 0.008 4.328 4.320 -0.000 0.000 0.219 18 A C 2.267 179.824 177.584 -0.045 0.000 1.176 18 A CA 1.667 53.719 52.037 0.025 0.000 0.631 18 A CB -0.158 18.836 19.000 -0.010 0.000 0.814 18 A HN 0.253 nan 8.150 nan 0.000 0.446 19 K N -2.274 118.110 120.400 -0.027 0.000 2.352 19 K HA 0.171 4.491 4.320 -0.000 0.000 0.194 19 K C 1.418 177.966 176.600 -0.087 0.000 1.038 19 K CA 0.141 56.356 56.287 -0.120 0.000 1.023 19 K CB -0.056 32.372 32.500 -0.119 0.000 0.840 19 K HN 0.538 nan 8.250 nan 0.000 0.519 20 F N 0.249 120.095 119.950 -0.174 0.000 2.059 20 F HA -0.123 4.404 4.527 -0.000 0.000 0.289 20 F C 1.587 177.235 175.800 -0.253 0.000 1.128 20 F CA 1.327 59.156 58.000 -0.286 0.000 1.181 20 F CB -0.410 38.340 39.000 -0.416 0.000 1.012 20 F HN -0.064 nan 8.300 nan 0.000 0.473 21 W N 1.314 122.708 121.300 0.157 0.000 2.389 21 W HA -0.133 4.527 4.660 -0.000 0.000 0.267 21 W C 1.835 178.322 176.519 -0.054 0.000 1.219 21 W CA 1.252 58.622 57.345 0.042 0.000 1.189 21 W CB -0.574 28.920 29.460 0.058 0.000 1.129 21 W HN 0.197 nan 8.180 nan 0.000 0.581 22 E N -0.440 119.713 120.200 -0.078 0.000 2.479 22 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 22 E C 1.418 177.987 176.600 -0.051 0.000 1.049 22 E CA 0.102 56.374 56.400 -0.214 0.000 0.870 22 E CB 0.125 28.574 29.700 -2.086 0.000 0.944 22 E HN 0.105 nan 8.360 nan 0.000 0.492 23 V N 1.075 120.908 119.914 -0.135 0.000 3.630 23 V HA -0.015 4.105 4.120 -0.000 0.000 0.273 23 V C 1.420 177.461 176.094 -0.089 0.000 1.248 23 V CA 0.902 63.112 62.300 -0.149 0.000 1.170 23 V CB -0.478 31.178 31.823 -0.278 0.000 0.899 23 V HN 0.314 nan 8.190 nan 0.000 0.457 24 I N -0.003 120.562 120.570 -0.007 0.000 3.443 24 I HA -0.019 4.151 4.170 -0.000 0.000 0.277 24 I C 2.301 178.455 176.117 0.062 0.000 1.169 24 I CA 0.925 62.202 61.300 -0.039 0.000 1.419 24 I CB -0.222 37.713 38.000 -0.109 0.000 1.331 24 I HN 0.363 nan 8.210 nan 0.000 0.458 25 S N 0.767 116.561 115.700 0.157 0.000 2.592 25 S HA -0.248 4.221 4.470 -0.000 0.000 0.256 25 S C 1.441 176.082 174.600 0.068 0.000 0.974 25 S CA 1.251 59.496 58.200 0.075 0.000 0.963 25 S CB -0.863 62.331 63.200 -0.010 0.000 0.750 25 S HN 0.415 nan 8.310 nan 0.000 0.538 26 D N 1.859 122.293 120.400 0.058 0.000 2.311 26 D HA -0.134 4.506 4.640 -0.000 0.000 0.212 26 D C 0.049 176.357 176.300 0.014 0.000 0.972 26 D CA 0.743 54.757 54.000 0.022 0.000 0.887 26 D CB -0.326 40.460 40.800 -0.023 0.000 0.915 26 D HN 0.773 nan 8.370 nan 0.000 0.497 27 E N -1.175 119.053 120.200 0.047 0.000 6.912 27 E HA -0.161 4.189 4.350 -0.000 0.000 0.189 27 E C 0.172 176.842 176.600 0.115 0.000 1.039 27 E CA 0.615 57.081 56.400 0.110 0.000 1.563 27 E CB -1.502 28.323 29.700 0.209 0.000 0.928 27 E HN 0.643 nan 8.360 nan 0.000 0.296 28 H N -0.535 118.507 119.070 -0.045 0.000 3.419 28 H HA 0.079 4.635 4.556 -0.000 0.000 0.235 28 H C 0.699 176.077 175.328 0.084 0.000 1.079 28 H CA 0.192 56.244 56.048 0.007 0.000 1.094 28 H CB -0.373 29.227 29.762 -0.270 0.000 1.254 28 H HN 0.399 nan 8.280 nan 0.000 0.783 29 G N 4.202 112.601 108.800 -0.668 0.000 2.280 29 G HA2 0.038 3.997 3.960 -0.000 0.000 0.273 29 G HA3 0.038 3.997 3.960 -0.000 0.000 0.273 29 G C 1.398 176.301 174.900 0.004 0.000 0.778 29 G CA 1.168 45.971 45.100 -0.494 0.000 1.067 29 G HN 0.662 nan 8.290 nan 0.000 0.325 30 I N -0.060 120.530 120.570 0.033 0.000 4.154 30 I HA -0.413 3.757 4.170 -0.000 0.000 0.103 30 I C 1.134 177.345 176.117 0.156 0.000 0.534 30 I CA 2.133 63.533 61.300 0.166 0.000 1.134 30 I CB -1.099 37.062 38.000 0.267 0.000 1.004 30 I HN 0.661 nan 8.210 nan 0.000 0.192 31 D N -1.579 118.913 120.400 0.153 0.000 2.848 31 D HA 0.198 4.838 4.640 -0.000 0.000 0.303 31 D C -1.841 174.542 176.300 0.139 0.000 1.665 31 D CA -0.364 53.717 54.000 0.135 0.000 0.807 31 D CB -0.155 40.697 40.800 0.087 0.000 1.288 31 D HN 0.223 nan 8.370 nan 0.000 0.441 32 P HA 0.108 nan 4.420 nan 0.000 0.203 32 P C -0.149 177.248 177.300 0.162 0.000 1.211 32 P CA 1.526 64.719 63.100 0.153 0.000 0.913 32 P CB 0.245 32.050 31.700 0.174 0.000 0.745 33 T N -3.896 110.792 114.554 0.223 0.000 2.837 33 T HA 0.393 4.743 4.350 -0.000 0.000 0.251 33 T C 0.065 174.909 174.700 0.241 0.000 1.630 33 T CA 0.033 62.295 62.100 0.270 0.000 1.041 33 T CB -1.431 67.542 68.868 0.175 0.000 2.256 33 T HN 0.645 nan 8.240 nan 0.000 0.493 34 G N 1.042 109.952 108.800 0.183 0.000 2.593 34 G HA2 0.331 4.290 3.960 -0.000 0.000 0.237 34 G HA3 0.331 4.290 3.960 -0.000 0.000 0.237 34 G C 0.806 175.612 174.900 -0.157 0.000 1.312 34 G CA 1.413 46.525 45.100 0.021 0.000 0.896 34 G HN 2.754 nan 8.290 nan 0.000 0.574 35 S N -2.206 113.483 115.700 -0.018 0.000 4.114 35 S HA -0.331 4.138 4.470 -0.000 0.000 0.618 35 S C 1.785 176.282 174.600 -0.172 0.000 1.937 35 S CA 3.314 61.526 58.200 0.020 0.000 4.228 35 S CB -1.730 61.563 63.200 0.154 0.000 0.216 35 S HN 2.938 nan 8.310 nan 0.000 0.528 36 Y N 1.669 121.992 120.300 0.038 0.000 2.660 36 Y HA -0.319 4.231 4.550 -0.000 0.000 0.201 36 Y C 1.513 177.430 175.900 0.028 0.000 1.272 36 Y CA 2.012 60.142 58.100 0.050 0.000 1.940 36 Y CB -1.994 36.542 38.460 0.127 0.000 1.050 36 Y HN 0.710 nan 8.280 nan 0.000 0.758 37 H N 0.044 118.977 119.070 -0.230 0.000 2.482 37 H HA 0.302 4.858 4.556 -0.000 0.000 0.286 37 H C 1.438 176.762 175.328 -0.006 0.000 1.017 37 H CA 0.970 56.928 56.048 -0.151 0.000 1.322 37 H CB 0.374 29.998 29.762 -0.230 0.000 1.426 37 H HN 0.496 nan 8.280 nan 0.000 0.546 38 G N 0.936 109.801 108.800 0.109 0.000 4.613 38 G HA2 0.150 4.110 3.960 -0.000 0.000 0.232 38 G HA3 0.150 4.110 3.960 -0.000 0.000 0.232 38 G C -1.153 173.788 174.900 0.069 0.000 0.947 38 G CA -0.509 44.642 45.100 0.085 0.000 0.715 38 G HN -0.028 nan 8.290 nan 0.000 0.518 39 D N 0.790 121.237 120.400 0.078 0.000 4.622 39 D HA -0.063 4.577 4.640 -0.000 0.000 0.305 39 D C 0.713 177.047 176.300 0.057 0.000 2.480 39 D CA 2.531 56.572 54.000 0.068 0.000 0.989 39 D CB -0.385 40.449 40.800 0.056 0.000 1.157 39 D HN 1.821 nan 8.370 nan 0.000 1.308 40 S N -0.964 114.764 115.700 0.048 0.000 2.741 40 S HA 0.298 4.768 4.470 -0.000 0.000 0.849 40 S C -0.814 173.803 174.600 0.029 0.000 0.824 40 S CA 0.365 58.586 58.200 0.036 0.000 1.539 40 S CB -0.221 63.002 63.200 0.037 0.000 1.109 40 S HN 0.900 nan 8.310 nan 0.000 0.218 41 D N 1.031 121.438 120.400 0.012 0.000 4.698 41 D HA 0.297 4.937 4.640 -0.000 0.000 0.153 41 D C -0.855 175.424 176.300 -0.034 0.000 0.818 41 D CA 0.168 54.163 54.000 -0.007 0.000 0.945 41 D CB -1.362 39.436 40.800 -0.003 0.000 0.699 41 D HN 1.775 nan 8.370 nan 0.000 0.645 42 L N -0.153 121.031 121.223 -0.064 0.000 5.222 42 L HA 0.206 4.546 4.340 -0.000 0.000 0.222 42 L C -0.215 176.550 176.870 -0.174 0.000 1.064 42 L CA -0.529 54.243 54.840 -0.112 0.000 0.809 42 L CB 0.095 42.095 42.059 -0.099 0.000 1.364 42 L HN 0.824 nan 8.230 nan 0.000 0.236 43 Q N -0.307 119.334 119.800 -0.264 0.000 1.546 43 Q HA 0.073 4.413 4.340 -0.000 0.000 0.242 43 Q C -1.705 174.085 176.000 -0.350 0.000 1.071 43 Q CA -0.511 55.065 55.803 -0.379 0.000 0.929 43 Q CB -0.432 28.153 28.738 -0.256 0.000 2.708 43 Q HN 0.397 nan 8.270 nan 0.000 0.345 48 R N -0.553 119.704 120.500 -0.404 0.000 3.921 48 R HA 0.488 4.828 4.340 -0.000 0.000 0.255 48 R C -1.193 175.079 176.300 -0.047 0.000 0.937 48 R CA -0.774 55.219 56.100 -0.178 0.000 0.749 48 R CB 0.402 30.688 30.300 -0.023 0.000 1.816 48 R HN 0.356 nan 8.270 nan 0.000 0.395 49 I N 1.831 122.741 120.570 0.568 0.000 2.448 49 I HA 0.445 4.615 4.170 -0.000 0.000 0.281 49 I C -0.792 175.647 176.117 0.536 0.000 1.027 49 I CA -0.400 61.326 61.300 0.710 0.000 1.111 49 I CB 1.194 39.351 38.000 0.262 0.000 1.236 49 I HN 0.551 nan 8.210 nan 0.000 0.452 50 N N 3.564 121.868 118.700 -0.661 0.000 3.405 50 N HA 0.234 4.973 4.740 -0.000 0.000 0.381 50 N C -1.353 173.268 175.510 -1.483 0.000 1.306 50 N CA -0.434 52.109 53.050 -0.845 0.000 0.834 50 N CB 0.989 39.271 38.487 -0.342 0.000 2.507 50 N HN 0.065 nan 8.380 nan 0.000 0.421 51 V N 1.926 121.392 119.914 -0.747 0.000 2.483 51 V HA 0.531 4.651 4.120 -0.000 0.000 0.295 51 V C -0.834 175.107 176.094 -0.255 0.000 1.035 51 V CA -0.570 61.412 62.300 -0.531 0.000 0.896 51 V CB 0.591 32.195 31.823 -0.365 0.000 0.986 51 V HN 0.608 nan 8.190 nan 0.000 0.447 52 Y N 2.280 122.499 120.300 -0.136 0.000 2.534 52 Y HA 0.889 5.438 4.550 -0.000 0.000 0.329 52 Y C -0.940 174.901 175.900 -0.097 0.000 1.154 52 Y CA -2.281 55.798 58.100 -0.036 0.000 1.192 52 Y CB 0.525 39.018 38.460 0.055 0.000 1.275 52 Y HN 0.591 nan 8.280 nan 0.000 0.491 53 Y N -0.595 119.873 120.300 0.280 0.000 2.536 53 Y HA -0.280 4.270 4.550 -0.000 0.000 0.026 53 Y C 0.962 176.836 175.900 -0.044 0.000 1.738 53 Y CA -0.569 57.550 58.100 0.031 0.000 1.400 53 Y CB -1.310 37.172 38.460 0.037 0.000 2.047 53 Y HN 0.883 nan 8.280 nan 0.000 0.258 54 N N 0.208 118.964 118.700 0.093 0.000 2.152 54 N HA -0.360 4.379 4.740 -0.000 0.000 0.156 54 N C 1.150 176.671 175.510 0.019 0.000 0.238 54 N CA 2.568 55.601 53.050 -0.029 0.000 2.234 54 N CB -0.621 37.855 38.487 -0.018 0.000 0.780 54 N HN 0.897 nan 8.380 nan 0.000 1.071 55 E N 0.559 120.792 120.200 0.055 0.000 2.338 55 E HA 0.045 4.394 4.350 -0.000 0.000 0.197 55 E C 1.577 178.229 176.600 0.087 0.000 1.007 55 E CA 0.836 57.273 56.400 0.061 0.000 0.849 55 E CB -0.110 29.622 29.700 0.054 0.000 0.774 55 E HN 0.584 nan 8.360 nan 0.000 0.506 56 A N 1.166 124.051 122.820 0.108 0.000 2.252 56 A HA 0.290 4.610 4.320 -0.000 0.000 0.207 56 A C 1.422 179.090 177.584 0.140 0.000 1.194 56 A CA 0.719 52.843 52.037 0.145 0.000 0.809 56 A CB -0.542 18.592 19.000 0.223 0.000 0.814 56 A HN 0.254 nan 8.150 nan 0.000 0.482 57 A N -0.893 121.997 122.820 0.117 0.000 5.382 57 A HA -0.186 4.134 4.320 -0.000 0.000 0.387 57 A C 1.849 179.564 177.584 0.218 0.000 1.596 57 A CA 1.780 53.914 52.037 0.162 0.000 0.902 57 A CB -1.614 17.489 19.000 0.172 0.000 1.510 57 A HN 1.579 nan 8.150 nan 0.000 0.460 58 G N -0.450 108.531 108.800 0.302 0.000 3.434 58 G HA2 0.407 4.366 3.960 -0.000 0.000 0.258 58 G HA3 0.407 4.366 3.960 -0.000 0.000 0.258 58 G C 0.134 175.147 174.900 0.188 0.000 1.128 58 G CA 1.158 46.455 45.100 0.327 0.000 0.792 58 G HN 0.920 nan 8.290 nan 0.000 0.539 59 N N 0.347 119.153 118.700 0.177 0.000 2.321 59 N HA 0.263 5.003 4.740 -0.000 0.000 0.290 59 N C -0.215 175.391 175.510 0.159 0.000 1.212 59 N CA -0.779 52.375 53.050 0.173 0.000 0.767 59 N CB 1.470 40.073 38.487 0.192 0.000 1.494 59 N HN -0.013 nan 8.380 nan 0.000 0.479 60 K N 0.925 121.418 120.400 0.155 0.000 2.467 60 K HA -0.284 4.036 4.320 -0.000 0.000 0.249 60 K C 0.426 177.150 176.600 0.207 0.000 1.077 60 K CA 0.859 57.240 56.287 0.156 0.000 1.115 60 K CB 0.019 32.609 32.500 0.152 0.000 0.707 60 K HN 0.606 nan 8.250 nan 0.000 0.422 61 Y N 1.184 121.532 120.300 0.079 0.000 2.368 61 Y HA -0.285 4.265 4.550 -0.000 0.000 0.274 61 Y C 0.452 176.409 175.900 0.095 0.000 1.230 61 Y CA 1.313 59.462 58.100 0.082 0.000 1.349 61 Y CB 0.292 38.806 38.460 0.089 0.000 0.968 61 Y HN 0.285 nan 8.280 nan 0.000 0.575 62 V N 1.082 121.106 119.914 0.185 0.000 3.074 62 V HA 0.404 4.524 4.120 -0.000 0.000 0.314 62 V C -2.532 173.610 176.094 0.081 0.000 1.117 62 V CA -1.954 60.431 62.300 0.142 0.000 1.014 62 V CB 2.159 34.088 31.823 0.177 0.000 1.057 62 V HN -0.120 nan 8.190 nan 0.000 0.438 63 P HA 0.374 nan 4.420 nan 0.000 0.298 63 P C -1.095 176.161 177.300 -0.073 0.000 1.365 63 P CA -0.534 62.556 63.100 -0.016 0.000 0.835 63 P CB 0.794 32.459 31.700 -0.058 0.000 0.948 64 R N 3.386 123.898 120.500 0.020 0.000 2.202 64 R HA 0.663 5.003 4.340 -0.000 0.000 0.334 64 R C -0.943 175.391 176.300 0.058 0.000 1.036 64 R CA -0.151 55.984 56.100 0.058 0.000 0.878 64 R CB 0.221 30.641 30.300 0.200 0.000 1.067 64 R HN 0.531 nan 8.270 nan 0.000 0.457 65 A N 4.796 127.582 122.820 -0.055 0.000 2.609 65 A HA 0.427 4.747 4.320 -0.000 0.000 0.291 65 A C -1.489 176.116 177.584 0.035 0.000 1.096 65 A CA -0.843 51.193 52.037 -0.002 0.000 0.684 65 A CB 1.336 20.067 19.000 -0.447 0.000 1.282 65 A HN 0.790 nan 8.150 nan 0.000 0.412 66 I N 1.420 122.051 120.570 0.102 0.000 2.339 66 I HA 0.627 4.797 4.170 -0.000 0.000 0.290 66 I C -1.561 174.598 176.117 0.070 0.000 0.994 66 I CA -0.973 60.373 61.300 0.075 0.000 1.191 66 I CB 0.962 38.991 38.000 0.047 0.000 1.343 66 I HN 0.640 nan 8.210 nan 0.000 0.458 67 L N 8.707 129.992 121.223 0.104 0.000 2.341 67 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 67 L C -1.301 175.647 176.870 0.131 0.000 1.005 67 L CA -0.423 54.478 54.840 0.102 0.000 0.818 67 L CB 1.850 43.967 42.059 0.097 0.000 1.259 67 L HN 0.373 nan 8.230 nan 0.000 0.418 68 V N 4.136 124.097 119.914 0.078 0.000 2.419 68 V HA 0.516 4.636 4.120 -0.000 0.000 0.287 68 V C -1.242 174.925 176.094 0.122 0.000 1.017 68 V CA -0.674 61.660 62.300 0.056 0.000 0.844 68 V CB 1.443 33.231 31.823 -0.058 0.000 1.011 68 V HN 0.697 nan 8.190 nan 0.000 0.429 69 D N 3.406 123.917 120.400 0.186 0.000 2.342 69 D HA 0.569 5.209 4.640 -0.000 0.000 0.243 69 D C 0.156 176.607 176.300 0.251 0.000 1.019 69 D CA -0.412 53.695 54.000 0.179 0.000 0.864 69 D CB 2.967 43.859 40.800 0.153 0.000 1.315 69 D HN 0.394 nan 8.370 nan 0.000 0.468 70 L N 0.418 121.784 121.223 0.239 0.000 3.016 70 L HA 0.308 4.648 4.340 -0.000 0.000 0.267 70 L C -0.700 176.301 176.870 0.220 0.000 1.182 70 L CA 0.341 55.382 54.840 0.336 0.000 0.997 70 L CB 0.179 42.373 42.059 0.225 0.000 1.354 70 L HN 0.341 nan 8.230 nan 0.000 0.569 71 E N 0.926 121.232 120.200 0.177 0.000 2.551 71 E HA 0.226 4.576 4.350 -0.000 0.000 0.321 71 E C -2.300 174.363 176.600 0.106 0.000 0.975 71 E CA -1.317 55.155 56.400 0.120 0.000 0.784 71 E CB 0.939 30.683 29.700 0.073 0.000 1.493 71 E HN -0.100 nan 8.360 nan 0.000 0.385 72 P HA -0.144 nan 4.420 nan 0.000 0.304 72 P C 0.926 178.266 177.300 0.066 0.000 1.487 72 P CA 0.523 63.675 63.100 0.087 0.000 0.753 72 P CB -0.367 31.375 31.700 0.069 0.000 1.663 73 G N 0.026 108.864 108.800 0.064 0.000 2.403 73 G HA2 -0.163 3.796 3.960 -0.000 0.000 0.216 73 G HA3 -0.163 3.796 3.960 -0.000 0.000 0.216 73 G C 1.376 176.307 174.900 0.052 0.000 1.154 73 G CA 0.655 45.784 45.100 0.049 0.000 0.784 73 G HN 0.251 nan 8.290 nan 0.000 0.538 74 T N 0.957 115.544 114.554 0.055 0.000 2.942 74 T HA -0.015 4.335 4.350 -0.000 0.000 0.265 74 T C 2.166 176.892 174.700 0.044 0.000 1.062 74 T CA 1.078 63.208 62.100 0.050 0.000 1.139 74 T CB -0.122 68.784 68.868 0.064 0.000 0.883 74 T HN 0.177 nan 8.240 nan 0.000 0.468 75 M N 2.495 122.124 119.600 0.049 0.000 3.138 75 M HA -0.194 4.285 4.480 -0.000 0.000 0.280 75 M C 1.571 177.884 176.300 0.022 0.000 1.053 75 M CA 1.924 57.243 55.300 0.033 0.000 1.065 75 M CB -0.677 31.942 32.600 0.032 0.000 1.207 75 M HN -0.017 nan 8.290 nan 0.000 0.551 76 D N -0.455 119.958 120.400 0.021 0.000 2.144 76 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 76 D C 2.141 178.451 176.300 0.016 0.000 0.984 76 D CA 1.859 55.867 54.000 0.015 0.000 0.834 76 D CB -0.632 40.178 40.800 0.015 0.000 0.955 76 D HN 0.638 nan 8.370 nan 0.000 0.465 77 S N -0.157 115.555 115.700 0.019 0.000 2.383 77 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 77 S C 2.022 176.634 174.600 0.020 0.000 1.030 77 S CA 1.234 59.444 58.200 0.018 0.000 1.002 77 S CB -0.342 62.869 63.200 0.018 0.000 0.829 77 S HN 0.146 nan 8.310 nan 0.000 0.467 78 V N 0.442 120.369 119.914 0.022 0.000 3.359 78 V HA 0.315 4.435 4.120 -0.000 0.000 0.245 78 V C 1.291 177.398 176.094 0.022 0.000 1.247 78 V CA -0.072 62.244 62.300 0.027 0.000 1.145 78 V CB -0.323 31.518 31.823 0.029 0.000 0.906 78 V HN 0.345 nan 8.190 nan 0.000 0.464 79 R N 2.175 122.682 120.500 0.012 0.000 2.309 79 R HA 0.403 4.743 4.340 -0.000 0.000 0.331 79 R C -0.104 176.192 176.300 -0.006 0.000 1.116 79 R CA 1.197 57.297 56.100 -0.000 0.000 0.970 79 R CB -0.014 30.284 30.300 -0.005 0.000 1.024 79 R HN 0.706 nan 8.270 nan 0.000 0.472 80 S N 1.056 116.750 115.700 -0.010 0.000 2.484 80 S HA -0.105 4.365 4.470 -0.000 0.000 0.327 80 S C 1.080 175.678 174.600 -0.002 0.000 0.895 80 S CA -0.454 57.739 58.200 -0.012 0.000 1.317 80 S CB -1.248 61.947 63.200 -0.008 0.000 1.567 80 S HN 0.597 nan 8.310 nan 0.000 0.428 81 G N 2.128 110.927 108.800 -0.002 0.000 3.202 81 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.271 81 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.271 81 G C -0.926 173.987 174.900 0.021 0.000 1.078 81 G CA 1.963 47.066 45.100 0.006 0.000 0.797 81 G HN 0.960 nan 8.290 nan 0.000 0.698 82 P HA 0.090 nan 4.420 nan 0.000 0.272 82 P C 0.688 178.055 177.300 0.111 0.000 1.248 82 P CA -0.782 62.365 63.100 0.078 0.000 0.799 82 P CB 0.066 31.808 31.700 0.071 0.000 0.997 83 F N -0.321 119.618 119.950 -0.019 0.000 2.331 83 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 83 F C 1.367 177.149 175.800 -0.029 0.000 1.041 83 F CA 2.098 60.086 58.000 -0.020 0.000 1.417 83 F CB -0.564 38.430 39.000 -0.011 0.000 1.102 83 F HN 0.352 nan 8.300 nan 0.000 0.558 84 G N -1.907 106.940 108.800 0.078 0.000 3.140 84 G HA2 0.384 4.344 3.960 -0.000 0.000 0.271 84 G HA3 0.384 4.344 3.960 -0.000 0.000 0.271 84 G C -0.065 174.810 174.900 -0.042 0.000 1.370 84 G CA -0.324 44.774 45.100 -0.005 0.000 1.014 84 G HN 0.158 nan 8.290 nan 0.000 0.541 85 Q N -1.511 118.254 119.800 -0.057 0.000 2.387 85 Q HA 0.399 4.739 4.340 -0.000 0.000 0.212 85 Q C 1.108 177.067 176.000 -0.067 0.000 0.925 85 Q CA 0.705 56.457 55.803 -0.085 0.000 0.901 85 Q CB 0.781 29.447 28.738 -0.120 0.000 1.020 85 Q HN 0.614 nan 8.270 nan 0.000 0.545 86 I N -3.269 117.285 120.570 -0.026 0.000 4.743 86 I HA -0.248 3.922 4.170 -0.000 0.000 0.197 86 I C -0.641 175.525 176.117 0.081 0.000 0.763 86 I CA 0.240 61.539 61.300 -0.001 0.000 1.613 86 I CB -0.269 37.732 38.000 0.002 0.000 2.930 86 I HN 0.204 nan 8.210 nan 0.000 0.840 87 F N 0.865 120.772 119.950 -0.072 0.000 2.885 87 F HA 0.397 4.924 4.527 -0.000 0.000 0.331 87 F C -1.118 174.679 175.800 -0.005 0.000 1.135 87 F CA -0.738 57.243 58.000 -0.031 0.000 0.911 87 F CB 0.681 39.691 39.000 0.015 0.000 1.316 87 F HN -0.111 nan 8.300 nan 0.000 0.454 88 R N 3.519 123.619 120.500 -0.667 0.000 2.500 88 R HA 0.571 4.911 4.340 -0.000 0.000 0.275 88 R C -2.412 174.074 176.300 0.309 0.000 1.051 88 R CA -0.753 55.206 56.100 -0.235 0.000 1.088 88 R CB 0.720 30.813 30.300 -0.344 0.000 1.063 88 R HN 0.496 nan 8.270 nan 0.000 0.511 89 P HA -0.145 nan 4.420 nan 0.000 0.014 89 P C -1.249 176.183 177.300 0.220 0.000 0.532 89 P CA 0.619 63.849 63.100 0.216 0.000 1.035 89 P CB -0.452 31.463 31.700 0.359 0.000 1.909 90 D N -2.445 118.057 120.400 0.169 0.000 4.435 90 D HA -0.049 4.591 4.640 -0.000 0.000 0.099 90 D C -0.149 176.272 176.300 0.200 0.000 0.396 90 D CA -0.032 54.079 54.000 0.184 0.000 0.574 90 D CB -0.935 39.980 40.800 0.192 0.000 1.641 90 D HN 0.256 nan 8.370 nan 0.000 0.018 91 N N 0.327 119.101 118.700 0.124 0.000 2.314 91 N HA 0.459 5.199 4.740 -0.000 0.000 0.294 91 N C -1.270 174.193 175.510 -0.079 0.000 1.029 91 N CA -0.182 52.931 53.050 0.106 0.000 0.845 91 N CB 0.910 39.418 38.487 0.035 0.000 1.321 91 N HN -0.162 nan 8.380 nan 0.000 0.481 92 F N 1.153 121.098 119.950 -0.009 0.000 2.411 92 F HA 0.429 4.956 4.527 -0.000 0.000 0.352 92 F C 0.122 175.909 175.800 -0.021 0.000 1.123 92 F CA -0.637 57.340 58.000 -0.038 0.000 1.044 92 F CB 1.200 40.178 39.000 -0.037 0.000 1.135 92 F HN 0.011 nan 8.300 nan 0.000 0.461 93 V N 5.242 125.136 119.914 -0.033 0.000 2.444 93 V HA 0.158 4.278 4.120 -0.000 0.000 0.294 93 V C 0.269 176.376 176.094 0.021 0.000 1.022 93 V CA -0.713 61.617 62.300 0.050 0.000 0.850 93 V CB 1.566 33.402 31.823 0.022 0.000 0.992 93 V HN 0.620 nan 8.190 nan 0.000 0.426 94 F N 3.700 123.703 119.950 0.089 0.000 2.788 94 F HA 0.230 4.757 4.527 -0.000 0.000 0.300 94 F C 1.834 177.665 175.800 0.051 0.000 1.229 94 F CA 0.693 58.745 58.000 0.086 0.000 1.446 94 F CB -0.517 38.534 39.000 0.086 0.000 1.118 94 F HN 0.862 nan 8.300 nan 0.000 0.579 95 G N 0.961 109.899 108.800 0.231 0.000 2.296 95 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.282 95 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.282 95 G C 0.599 175.616 174.900 0.196 0.000 1.014 95 G CA 0.616 45.819 45.100 0.170 0.000 0.812 95 G HN 0.413 nan 8.290 nan 0.000 0.508 96 Q N -2.871 117.049 119.800 0.200 0.000 2.452 96 Q HA -0.283 4.057 4.340 -0.000 0.000 0.160 96 Q C 2.134 178.172 176.000 0.063 0.000 0.566 96 Q CA 2.068 57.940 55.803 0.115 0.000 1.310 96 Q CB -2.387 26.400 28.738 0.082 0.000 1.039 96 Q HN 1.846 nan 8.270 nan 0.000 1.064 97 S N -0.122 115.614 115.700 0.060 0.000 2.546 97 S HA -0.294 4.176 4.470 -0.000 0.000 0.293 97 S C 1.555 176.064 174.600 -0.151 0.000 1.180 97 S CA 2.933 60.991 58.200 -0.236 0.000 1.075 97 S CB -0.800 61.755 63.200 -1.074 0.000 0.879 97 S HN 1.820 nan 8.310 nan 0.000 0.476 98 G N 0.558 109.319 108.800 -0.066 0.000 2.141 98 G HA2 0.250 4.210 3.960 -0.000 0.000 0.231 98 G HA3 0.250 4.210 3.960 -0.000 0.000 0.231 98 G C 0.588 175.477 174.900 -0.017 0.000 0.984 98 G CA 0.472 45.560 45.100 -0.020 0.000 0.660 98 G HN 2.080 nan 8.290 nan 0.000 0.525 99 A N -1.753 121.037 122.820 -0.051 0.000 2.611 99 A HA 0.427 4.747 4.320 -0.000 0.000 0.392 99 A C 1.163 178.750 177.584 0.005 0.000 1.971 99 A CA 1.580 53.603 52.037 -0.024 0.000 2.158 99 A CB -0.555 18.465 19.000 0.033 0.000 1.407 99 A HN 2.462 nan 8.150 nan 0.000 0.541 100 G N 1.117 109.927 108.800 0.016 0.000 2.566 100 G HA2 0.557 4.517 3.960 -0.000 0.000 0.311 100 G HA3 0.557 4.517 3.960 -0.000 0.000 0.311 100 G C -0.569 174.403 174.900 0.120 0.000 1.322 100 G CA -0.427 44.712 45.100 0.064 0.000 0.969 100 G HN 0.940 nan 8.290 nan 0.000 0.490 101 N N 2.010 120.829 118.700 0.198 0.000 2.419 101 N HA 0.423 5.163 4.740 -0.000 0.000 0.264 101 N C -1.051 174.609 175.510 0.249 0.000 1.031 101 N CA -0.423 52.811 53.050 0.308 0.000 0.951 101 N CB 0.466 39.194 38.487 0.402 0.000 1.101 101 N HN 0.434 nan 8.380 nan 0.000 0.488 102 N N 1.782 120.405 118.700 -0.129 0.000 8.480 102 N HA -0.106 4.634 4.740 -0.000 0.000 0.051 102 N C -0.371 174.991 175.510 -0.246 0.000 0.842 102 N CA -0.426 52.700 53.050 0.127 0.000 1.422 102 N CB -0.608 38.297 38.487 0.698 0.000 1.022 102 N HN 0.621 nan 8.380 nan 0.000 1.441 103 W N 3.653 124.539 121.300 -0.689 0.000 2.304 103 W HA -0.124 4.536 4.660 -0.000 0.000 0.315 103 W C 1.914 178.335 176.519 -0.164 0.000 1.233 103 W CA 3.149 60.197 57.345 -0.495 0.000 1.261 103 W CB -0.349 28.762 29.460 -0.582 0.000 1.150 103 W HN 0.768 nan 8.180 nan 0.000 0.494 104 A N -0.058 122.779 122.820 0.028 0.000 2.125 104 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 104 A C 1.755 179.486 177.584 0.246 0.000 1.156 104 A CA 1.624 53.884 52.037 0.372 0.000 0.671 104 A CB -0.452 18.614 19.000 0.110 0.000 0.794 104 A HN 0.417 nan 8.150 nan 0.000 0.459 105 K N -1.478 118.952 120.400 0.052 0.000 3.383 105 K HA 0.258 4.578 4.320 -0.000 0.000 0.164 105 K C 2.034 178.591 176.600 -0.072 0.000 1.145 105 K CA 0.274 56.572 56.287 0.018 0.000 1.507 105 K CB -0.716 31.815 32.500 0.050 0.000 2.086 105 K HN 0.156 nan 8.250 nan 0.000 0.502 106 G N 1.100 109.839 108.800 -0.100 0.000 2.462 106 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 106 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 106 G C 1.415 176.229 174.900 -0.142 0.000 1.121 106 G CA 1.034 46.066 45.100 -0.113 0.000 0.758 106 G HN 0.472 nan 8.290 nan 0.000 0.559 107 H N -0.366 118.472 119.070 -0.386 0.000 2.261 107 H HA -0.083 4.472 4.556 -0.000 0.000 0.301 107 H C 2.220 177.197 175.328 -0.585 0.000 1.067 107 H CA 1.802 57.458 56.048 -0.653 0.000 1.297 107 H CB -0.110 28.828 29.762 -1.373 0.000 1.377 107 H HN 0.435 nan 8.280 nan 0.000 0.492 108 Y N 0.607 120.749 120.300 -0.263 0.000 2.231 108 Y HA -0.109 4.441 4.550 -0.000 0.000 0.294 108 Y C 2.948 178.772 175.900 -0.126 0.000 1.120 108 Y CA 1.439 59.432 58.100 -0.178 0.000 1.141 108 Y CB -0.403 38.014 38.460 -0.070 0.000 1.022 108 Y HN 0.351 nan 8.280 nan 0.000 0.523 109 T N -1.737 112.852 114.554 0.058 0.000 3.311 109 T HA -0.023 4.327 4.350 -0.000 0.000 0.202 109 T C 1.572 176.271 174.700 -0.002 0.000 0.880 109 T CA 0.816 62.930 62.100 0.024 0.000 2.029 109 T CB -0.638 68.237 68.868 0.012 0.000 1.693 109 T HN 0.220 nan 8.240 nan 0.000 0.438 110 E N 1.085 121.248 120.200 -0.061 0.000 2.110 110 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 110 E C 2.433 179.141 176.600 0.179 0.000 0.988 110 E CA 0.841 57.189 56.400 -0.087 0.000 0.804 110 E CB -0.665 28.675 29.700 -0.599 0.000 0.745 110 E HN 0.721 nan 8.360 nan 0.000 0.458 111 G N 1.504 110.343 108.800 0.065 0.000 2.418 111 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.217 111 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.217 111 G C 1.738 176.675 174.900 0.062 0.000 1.158 111 G CA 0.898 46.080 45.100 0.137 0.000 0.771 111 G HN 0.345 nan 8.290 nan 0.000 0.545 112 A N 1.191 124.001 122.820 -0.017 0.000 1.903 112 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 112 A C 2.167 179.765 177.584 0.023 0.000 1.191 112 A CA 2.157 54.168 52.037 -0.044 0.000 0.638 112 A CB -0.532 18.441 19.000 -0.045 0.000 0.823 112 A HN 0.501 nan 8.150 nan 0.000 0.451 113 E N -1.250 119.008 120.200 0.097 0.000 2.110 113 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 113 E C 1.872 178.521 176.600 0.081 0.000 0.988 113 E CA 1.258 57.723 56.400 0.109 0.000 0.804 113 E CB -0.160 29.647 29.700 0.178 0.000 0.745 113 E HN 0.538 nan 8.360 nan 0.000 0.458 114 L N 0.061 121.351 121.223 0.112 0.000 2.298 114 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 114 L C 1.988 178.853 176.870 -0.008 0.000 1.084 114 L CA 0.757 55.594 54.840 -0.006 0.000 0.816 114 L CB 0.244 42.230 42.059 -0.121 0.000 0.967 114 L HN -0.121 nan 8.230 nan 0.000 0.460 115 V N 0.388 120.309 119.914 0.011 0.000 2.828 115 V HA -0.246 3.874 4.120 -0.000 0.000 0.260 115 V C 1.786 177.855 176.094 -0.041 0.000 1.101 115 V CA 1.743 64.013 62.300 -0.049 0.000 1.123 115 V CB -0.940 30.831 31.823 -0.087 0.000 0.704 115 V HN 0.462 nan 8.190 nan 0.000 0.493 116 D N -0.016 120.378 120.400 -0.009 0.000 2.240 116 D HA -0.058 4.582 4.640 -0.000 0.000 0.206 116 D C 2.383 178.701 176.300 0.029 0.000 0.963 116 D CA 1.416 55.419 54.000 0.006 0.000 0.863 116 D CB -0.240 40.569 40.800 0.015 0.000 0.973 116 D HN 0.603 nan 8.370 nan 0.000 0.501 117 S N -0.006 115.729 115.700 0.059 0.000 2.481 117 S HA -0.049 4.420 4.470 -0.000 0.000 0.231 117 S C 1.915 176.606 174.600 0.152 0.000 0.996 117 S CA 0.305 58.614 58.200 0.181 0.000 0.942 117 S CB -0.319 63.078 63.200 0.329 0.000 0.768 117 S HN 0.058 nan 8.310 nan 0.000 0.520 118 V N 1.727 121.568 119.914 -0.121 0.000 3.306 118 V HA 0.096 4.216 4.120 -0.000 0.000 0.264 118 V C 2.191 178.249 176.094 -0.061 0.000 1.149 118 V CA 0.744 62.879 62.300 -0.276 0.000 1.143 118 V CB -0.834 30.799 31.823 -0.317 0.000 0.767 118 V HN 0.476 nan 8.190 nan 0.000 0.476 119 L N -0.136 121.091 121.223 0.006 0.000 2.046 119 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 119 L C 2.296 179.213 176.870 0.079 0.000 1.077 119 L CA 1.541 56.415 54.840 0.056 0.000 0.747 119 L CB -0.696 41.393 42.059 0.050 0.000 0.896 119 L HN 0.317 nan 8.230 nan 0.000 0.432 120 D N -0.220 120.231 120.400 0.086 0.000 2.144 120 D HA -0.132 4.507 4.640 -0.000 0.000 0.200 120 D C 2.346 178.700 176.300 0.091 0.000 0.978 120 D CA 0.943 54.996 54.000 0.089 0.000 0.833 120 D CB -0.283 40.576 40.800 0.097 0.000 0.961 120 D HN 0.086 nan 8.370 nan 0.000 0.470 121 V N 0.642 120.626 119.914 0.117 0.000 2.295 121 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 121 V C 2.616 178.740 176.094 0.050 0.000 1.049 121 V CA 1.102 63.461 62.300 0.098 0.000 1.024 121 V CB -0.511 31.377 31.823 0.108 0.000 0.648 121 V HN 0.075 nan 8.190 nan 0.000 0.447 122 V N -0.010 119.938 119.914 0.058 0.000 2.358 122 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 122 V C 2.583 178.734 176.094 0.094 0.000 1.047 122 V CA 1.992 64.333 62.300 0.068 0.000 1.035 122 V CB -0.848 31.065 31.823 0.149 0.000 0.658 122 V HN 0.478 nan 8.190 nan 0.000 0.452 123 R N 0.444 121.017 120.500 0.123 0.000 2.080 123 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 123 R C 2.417 178.762 176.300 0.074 0.000 1.137 123 R CA 1.727 57.902 56.100 0.126 0.000 0.943 123 R CB -0.416 29.942 30.300 0.098 0.000 0.846 123 R HN 0.496 nan 8.270 nan 0.000 0.431 124 K N 0.654 121.079 120.400 0.040 0.000 2.097 124 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 124 K C 2.072 178.673 176.600 0.002 0.000 1.050 124 K CA 1.417 57.711 56.287 0.012 0.000 0.938 124 K CB -0.016 32.472 32.500 -0.020 0.000 0.718 124 K HN 0.315 nan 8.250 nan 0.000 0.442 125 E N 0.780 120.972 120.200 -0.012 0.000 2.047 125 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 125 E C 2.220 178.793 176.600 -0.044 0.000 0.987 125 E CA 1.512 57.886 56.400 -0.043 0.000 0.799 125 E CB -0.124 29.522 29.700 -0.089 0.000 0.752 125 E HN 0.308 nan 8.360 nan 0.000 0.449 126 S N 1.649 117.331 115.700 -0.030 0.000 2.380 126 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 126 S C 1.810 176.438 174.600 0.047 0.000 1.043 126 S CA 1.549 59.759 58.200 0.017 0.000 1.038 126 S CB -0.559 62.730 63.200 0.148 0.000 0.872 126 S HN 0.264 nan 8.310 nan 0.000 0.456 127 E N 1.633 121.863 120.200 0.050 0.000 2.333 127 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 127 E C 2.204 178.824 176.600 0.033 0.000 1.007 127 E CA 1.039 57.467 56.400 0.047 0.000 0.845 127 E CB -0.346 29.378 29.700 0.040 0.000 0.766 127 E HN 0.888 nan 8.360 nan 0.000 0.507 128 S N -0.348 115.366 115.700 0.024 0.000 2.507 128 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 128 S C 1.225 175.841 174.600 0.027 0.000 0.988 128 S CA 0.567 58.781 58.200 0.022 0.000 0.944 128 S CB -0.354 62.854 63.200 0.013 0.000 0.762 128 S HN 0.422 nan 8.310 nan 0.000 0.526 129 C N 0.199 119.516 119.300 0.028 0.000 5.268 129 C HA -0.060 4.400 4.460 -0.000 0.000 0.223 129 C C -0.508 174.499 174.990 0.029 0.000 1.107 129 C CA 0.050 59.085 59.018 0.028 0.000 1.416 129 C CB -2.413 25.342 27.740 0.026 0.000 1.889 129 C HN 0.670 nan 8.230 nan 0.000 0.647 130 D N -0.841 119.576 120.400 0.029 0.000 2.547 130 D HA 0.484 5.124 4.640 -0.000 0.000 0.231 130 D C -0.440 175.878 176.300 0.029 0.000 1.099 130 D CA -0.288 53.730 54.000 0.030 0.000 0.901 130 D CB 1.177 41.996 40.800 0.031 0.000 1.478 130 D HN 0.271 nan 8.370 nan 0.000 0.471 131 C N 1.705 121.024 119.300 0.032 0.000 2.322 131 C HA 0.332 4.792 4.460 -0.000 0.000 0.343 131 C C 0.713 175.720 174.990 0.029 0.000 1.190 131 C CA -0.814 58.225 59.018 0.036 0.000 1.704 131 C CB -1.550 26.214 27.740 0.039 0.000 2.293 131 C HN 0.274 nan 8.230 nan 0.000 0.523 132 L N 3.595 124.829 121.223 0.019 0.000 2.410 132 L HA 0.161 4.501 4.340 -0.000 0.000 0.273 132 L C 1.150 178.030 176.870 0.016 0.000 1.144 132 L CA 0.457 55.285 54.840 -0.019 0.000 0.863 132 L CB 0.450 42.461 42.059 -0.080 0.000 1.140 132 L HN 0.752 nan 8.230 nan 0.000 0.463 133 Q N 1.866 121.670 119.800 0.006 0.000 2.164 133 Q HA 0.226 4.565 4.340 -0.000 0.000 0.226 133 Q C 0.257 176.283 176.000 0.043 0.000 0.813 133 Q CA -0.146 55.682 55.803 0.042 0.000 0.978 133 Q CB 1.256 30.019 28.738 0.041 0.000 1.149 133 Q HN 0.844 nan 8.270 nan 0.000 0.489 134 G N -0.036 108.758 108.800 -0.010 0.000 2.482 134 G HA2 0.562 4.521 3.960 -0.000 0.000 0.317 134 G HA3 0.562 4.521 3.960 -0.000 0.000 0.317 134 G C -1.653 173.173 174.900 -0.124 0.000 1.241 134 G CA -0.440 44.661 45.100 0.002 0.000 0.967 134 G HN 0.136 nan 8.290 nan 0.000 0.482 135 F N 0.842 120.763 119.950 -0.049 0.000 2.434 135 F HA 0.374 4.901 4.527 -0.000 0.000 0.367 135 F C 0.421 176.230 175.800 0.014 0.000 1.093 135 F CA -0.492 57.476 58.000 -0.052 0.000 1.085 135 F CB 1.968 40.921 39.000 -0.078 0.000 1.322 135 F HN 0.262 nan 8.300 nan 0.000 0.452 136 Q N 5.257 125.136 119.800 0.132 0.000 2.307 136 Q HA 0.720 5.059 4.340 -0.000 0.000 0.262 136 Q C -1.125 175.038 176.000 0.272 0.000 0.961 136 Q CA -0.621 55.320 55.803 0.230 0.000 0.882 136 Q CB 2.621 31.512 28.738 0.256 0.000 1.264 136 Q HN 0.563 nan 8.270 nan 0.000 0.446 137 L N 2.148 123.566 121.223 0.325 0.000 2.438 137 L HA 0.468 4.808 4.340 -0.000 0.000 0.270 137 L C -0.169 176.919 176.870 0.363 0.000 0.972 137 L CA -0.868 54.146 54.840 0.290 0.000 0.831 137 L CB 2.198 44.398 42.059 0.235 0.000 1.273 137 L HN 0.656 nan 8.230 nan 0.000 0.405 138 T N -1.629 113.089 114.554 0.272 0.000 2.907 138 T HA 0.664 5.013 4.350 -0.000 0.000 0.284 138 T C -0.535 174.375 174.700 0.349 0.000 1.004 138 T CA -0.493 61.771 62.100 0.272 0.000 1.063 138 T CB 1.831 70.757 68.868 0.097 0.000 0.992 138 T HN 0.742 nan 8.240 nan 0.000 0.483 139 H N 0.508 119.697 119.070 0.199 0.000 2.950 139 H HA 0.504 5.060 4.556 -0.000 0.000 0.307 139 H C -2.004 173.432 175.328 0.181 0.000 1.403 139 H CA -0.608 55.554 56.048 0.190 0.000 1.145 139 H CB 1.453 31.345 29.762 0.217 0.000 1.844 139 H HN 0.906 nan 8.280 nan 0.000 0.515 140 S N 2.780 118.083 115.700 -0.661 0.000 2.779 140 S HA 0.392 4.862 4.470 -0.000 0.000 0.293 140 S C -0.441 173.971 174.600 -0.312 0.000 1.150 140 S CA -0.959 57.061 58.200 -0.300 0.000 1.057 140 S CB 0.446 63.611 63.200 -0.058 0.000 1.021 140 S HN 0.557 nan 8.310 nan 0.000 0.485 141 L N 3.242 124.350 121.223 -0.191 0.000 2.660 141 L HA 0.352 4.691 4.340 -0.000 0.000 0.272 141 L C 1.433 178.224 176.870 -0.132 0.000 1.194 141 L CA 1.098 55.905 54.840 -0.055 0.000 0.945 141 L CB -0.460 41.593 42.059 -0.011 0.000 1.212 141 L HN 1.262 nan 8.230 nan 0.000 0.490 142 G N 2.603 111.279 108.800 -0.207 0.000 2.142 142 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 142 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 142 G C 0.682 175.198 174.900 -0.641 0.000 1.015 142 G CA -0.054 44.246 45.100 -1.332 0.000 0.716 142 G HN 0.949 nan 8.290 nan 0.000 0.508 143 G N 0.049 109.312 108.800 0.772 0.000 3.042 143 G HA2 0.434 4.394 3.960 -0.000 0.000 0.212 143 G HA3 0.434 4.394 3.960 -0.000 0.000 0.212 143 G C 1.768 177.020 174.900 0.587 0.000 1.166 143 G CA 1.435 46.860 45.100 0.541 0.000 0.767 143 G HN 1.391 nan 8.290 nan 0.000 0.546 144 G N 1.809 110.821 108.800 0.353 0.000 2.805 144 G HA2 -0.478 3.482 3.960 -0.000 0.000 0.227 144 G HA3 -0.478 3.482 3.960 -0.000 0.000 0.227 144 G C 2.058 176.937 174.900 -0.035 0.000 1.143 144 G CA 2.841 47.783 45.100 -0.264 0.000 0.759 144 G HN 0.663 nan 8.290 nan 0.000 0.634 145 T N -1.057 113.523 114.554 0.044 0.000 2.653 145 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 145 T C 2.413 177.152 174.700 0.065 0.000 1.035 145 T CA 2.210 64.335 62.100 0.041 0.000 1.154 145 T CB -0.953 67.960 68.868 0.075 0.000 0.862 145 T HN 0.527 nan 8.240 nan 0.000 0.441 146 G N 0.495 109.358 108.800 0.104 0.000 2.396 146 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.214 146 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.214 146 G C 1.909 176.886 174.900 0.128 0.000 1.166 146 G CA 0.745 45.913 45.100 0.113 0.000 0.793 146 G HN 0.566 nan 8.290 nan 0.000 0.533 147 S N 0.283 116.077 115.700 0.155 0.000 2.383 147 S HA 0.031 4.501 4.470 -0.000 0.000 0.227 147 S C 2.204 177.026 174.600 0.369 0.000 1.026 147 S CA 1.278 59.636 58.200 0.264 0.000 0.981 147 S CB -0.080 63.417 63.200 0.496 0.000 0.818 147 S HN 0.509 nan 8.310 nan 0.000 0.472 148 G N -0.111 108.680 108.800 -0.015 0.000 2.833 148 G HA2 0.195 4.155 3.960 -0.000 0.000 0.214 148 G HA3 0.195 4.155 3.960 -0.000 0.000 0.214 148 G C 1.089 175.739 174.900 -0.418 0.000 1.075 148 G CA -0.124 44.349 45.100 -1.044 0.000 0.799 148 G HN 0.369 nan 8.290 nan 0.000 0.541 149 M N 1.112 120.630 119.600 -0.137 0.000 2.288 149 M HA 0.187 4.667 4.480 -0.000 0.000 0.266 149 M C 2.332 178.673 176.300 0.069 0.000 1.072 149 M CA 1.542 56.816 55.300 -0.042 0.000 1.132 149 M CB 0.091 32.693 32.600 0.003 0.000 1.386 149 M HN 0.153 nan 8.290 nan 0.000 0.432 150 G N -0.342 108.546 108.800 0.146 0.000 2.421 150 G HA2 -0.187 3.772 3.960 -0.000 0.000 0.217 150 G HA3 -0.187 3.772 3.960 -0.000 0.000 0.217 150 G C 1.447 176.580 174.900 0.388 0.000 1.143 150 G CA 1.258 46.522 45.100 0.273 0.000 0.784 150 G HN 0.581 nan 8.290 nan 0.000 0.541 151 T N -0.153 114.526 114.554 0.208 0.000 2.904 151 T HA 0.081 4.431 4.350 -0.000 0.000 0.267 151 T C 2.411 177.478 174.700 0.612 0.000 1.059 151 T CA 0.716 62.988 62.100 0.286 0.000 1.137 151 T CB -0.258 67.731 68.868 -1.465 0.000 0.879 151 T HN 0.180 nan 8.240 nan 0.000 0.467 152 L N 0.565 121.990 121.223 0.337 0.000 1.989 152 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 152 L C 2.863 179.752 176.870 0.031 0.000 1.071 152 L CA 1.414 56.228 54.840 -0.043 0.000 0.749 152 L CB -0.808 41.000 42.059 -0.419 0.000 0.890 152 L HN 0.234 nan 8.230 nan 0.000 0.431 153 L N -0.312 120.946 121.223 0.059 0.000 2.042 153 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 153 L C 2.521 179.420 176.870 0.049 0.000 1.076 153 L CA 1.426 56.294 54.840 0.047 0.000 0.749 153 L CB -0.506 41.593 42.059 0.066 0.000 0.893 153 L HN 0.272 nan 8.230 nan 0.000 0.432 154 I N -0.422 120.212 120.570 0.107 0.000 2.315 154 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 154 I C 2.801 178.876 176.117 -0.070 0.000 1.117 154 I CA 1.424 62.721 61.300 -0.006 0.000 1.404 154 I CB -0.315 37.655 38.000 -0.051 0.000 1.071 154 I HN 0.353 nan 8.210 nan 0.000 0.419 155 S N 1.260 116.948 115.700 -0.020 0.000 2.345 155 S HA -0.146 4.324 4.470 -0.000 0.000 0.219 155 S C 1.968 176.549 174.600 -0.033 0.000 1.031 155 S CA 0.716 58.904 58.200 -0.021 0.000 0.984 155 S CB -0.454 62.785 63.200 0.065 0.000 0.874 155 S HN 0.354 nan 8.310 nan 0.000 0.451 156 K N 1.152 121.539 120.400 -0.022 0.000 2.057 156 K HA 0.099 4.419 4.320 -0.000 0.000 0.207 156 K C 2.131 178.726 176.600 -0.008 0.000 1.049 156 K CA 1.549 57.826 56.287 -0.017 0.000 0.931 156 K CB -0.492 32.006 32.500 -0.005 0.000 0.714 156 K HN 0.428 nan 8.250 nan 0.000 0.440 157 I N 0.665 121.204 120.570 -0.051 0.000 2.394 157 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 157 I C 2.656 178.691 176.117 -0.138 0.000 1.136 157 I CA 0.971 62.189 61.300 -0.137 0.000 1.425 157 I CB -0.198 37.511 38.000 -0.485 0.000 1.079 157 I HN 0.159 nan 8.210 nan 0.000 0.425 158 R N 1.260 121.679 120.500 -0.135 0.000 2.119 158 R HA -0.115 4.225 4.340 -0.000 0.000 0.222 158 R C 2.002 178.263 176.300 -0.065 0.000 1.088 158 R CA 1.058 57.096 56.100 -0.104 0.000 0.984 158 R CB 0.064 30.297 30.300 -0.112 0.000 0.884 158 R HN 0.382 nan 8.270 nan 0.000 0.447 159 E N 0.223 120.388 120.200 -0.058 0.000 2.072 159 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 159 E C 1.580 178.128 176.600 -0.085 0.000 0.985 159 E CA 1.439 57.805 56.400 -0.057 0.000 0.801 159 E CB 0.094 29.766 29.700 -0.046 0.000 0.750 159 E HN 0.502 nan 8.360 nan 0.000 0.452 160 E N -0.642 119.490 120.200 -0.114 0.000 2.364 160 E HA -0.007 4.343 4.350 -0.000 0.000 0.196 160 E C -0.074 176.221 176.600 -0.508 0.000 0.990 160 E CA 0.278 56.494 56.400 -0.305 0.000 0.886 160 E CB 0.413 29.887 29.700 -0.376 0.000 0.866 160 E HN 0.258 nan 8.360 nan 0.000 0.493 161 Y N 0.688 120.925 120.300 -0.106 0.000 2.553 161 Y HA 0.191 4.741 4.550 -0.000 0.000 0.369 161 Y C -1.793 174.047 175.900 -0.100 0.000 0.964 161 Y CA -2.128 55.918 58.100 -0.090 0.000 1.156 161 Y CB 0.673 39.048 38.460 -0.143 0.000 1.218 161 Y HN 0.045 nan 8.280 nan 0.000 0.630 162 P HA -0.199 nan 4.420 nan 0.000 0.215 162 P C 0.636 177.948 177.300 0.020 0.000 1.157 162 P CA 1.784 64.880 63.100 -0.006 0.000 0.874 162 P CB 0.595 32.281 31.700 -0.023 0.000 0.790 163 D N -0.365 120.062 120.400 0.045 0.000 2.144 163 D HA -0.093 4.546 4.640 -0.000 0.000 0.199 163 D C 1.015 177.357 176.300 0.070 0.000 0.984 163 D CA 1.018 55.050 54.000 0.052 0.000 0.834 163 D CB -0.477 40.362 40.800 0.064 0.000 0.955 163 D HN 0.273 nan 8.370 nan 0.000 0.465 164 R N 0.900 121.468 120.500 0.113 0.000 2.230 164 R HA 0.365 4.704 4.340 -0.000 0.000 0.337 164 R C 0.027 176.377 176.300 0.083 0.000 1.063 164 R CA -0.361 55.819 56.100 0.134 0.000 0.935 164 R CB 0.978 31.425 30.300 0.245 0.000 1.121 164 R HN 0.062 nan 8.270 nan 0.000 0.486 165 I N 3.770 124.374 120.570 0.057 0.000 2.710 165 I HA -0.040 4.129 4.170 -0.000 0.000 0.286 165 I C 0.781 176.923 176.117 0.041 0.000 1.181 165 I CA 0.390 61.703 61.300 0.022 0.000 1.430 165 I CB 0.456 38.464 38.000 0.014 0.000 1.367 165 I HN 0.307 nan 8.210 nan 0.000 0.577 166 M N 5.677 125.273 119.600 -0.006 0.000 2.211 166 M HA 0.198 4.677 4.480 -0.000 0.000 0.356 166 M C -0.283 176.022 176.300 0.008 0.000 1.216 166 M CA -0.172 55.141 55.300 0.022 0.000 1.134 166 M CB 0.276 32.841 32.600 -0.059 0.000 1.564 166 M HN 0.422 nan 8.290 nan 0.000 0.463 167 N N 2.699 121.431 118.700 0.053 0.000 2.457 167 N HA 0.343 5.083 4.740 -0.000 0.000 0.250 167 N C -0.518 174.989 175.510 -0.006 0.000 0.982 167 N CA -0.100 52.951 53.050 0.002 0.000 0.941 167 N CB 1.254 39.770 38.487 0.049 0.000 1.120 167 N HN 0.578 nan 8.380 nan 0.000 0.505 168 T N -0.523 113.986 114.554 -0.076 0.000 2.824 168 T HA 0.515 4.864 4.350 -0.000 0.000 0.282 168 T C -0.005 174.742 174.700 0.077 0.000 0.993 168 T CA -0.700 61.407 62.100 0.013 0.000 0.967 168 T CB 0.353 69.206 68.868 -0.024 0.000 0.960 168 T HN 0.089 nan 8.240 nan 0.000 0.441 169 F N 2.576 122.711 119.950 0.309 0.000 2.518 169 F HA 0.436 4.963 4.527 -0.000 0.000 0.359 169 F C 1.470 177.443 175.800 0.289 0.000 1.118 169 F CA -0.079 58.113 58.000 0.321 0.000 1.287 169 F CB 0.696 39.783 39.000 0.145 0.000 1.132 169 F HN 0.834 nan 8.300 nan 0.000 0.587 170 S N 1.425 117.420 115.700 0.492 0.000 2.566 170 S HA 0.908 5.377 4.470 -0.000 0.000 0.298 170 S C -1.047 173.779 174.600 0.378 0.000 1.083 170 S CA -0.854 57.630 58.200 0.472 0.000 0.978 170 S CB 1.879 65.297 63.200 0.364 0.000 1.073 170 S HN 0.368 nan 8.310 nan 0.000 0.491 171 V N 1.315 121.421 119.914 0.319 0.000 2.914 171 V HA 0.833 4.953 4.120 -0.000 0.000 0.314 171 V C -0.395 175.766 176.094 0.111 0.000 1.084 171 V CA -0.507 61.897 62.300 0.174 0.000 0.963 171 V CB 1.791 33.689 31.823 0.125 0.000 1.025 171 V HN 0.956 nan 8.190 nan 0.000 0.432 172 V N 1.935 121.884 119.914 0.059 0.000 3.065 172 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 172 V C -2.782 173.299 176.094 -0.022 0.000 1.412 172 V CA -1.495 60.807 62.300 0.004 0.000 1.039 172 V CB 3.041 34.849 31.823 -0.024 0.000 1.077 172 V HN 0.808 nan 8.190 nan 0.000 0.473 173 P HA 0.449 nan 4.420 nan 0.000 0.304 173 P C -1.285 175.983 177.300 -0.054 0.000 1.406 173 P CA -0.280 62.788 63.100 -0.054 0.000 0.948 173 P CB 1.640 33.300 31.700 -0.066 0.000 0.972 174 S N 3.089 118.770 115.700 -0.032 0.000 2.689 174 S HA 0.700 5.170 4.470 -0.000 0.000 0.306 174 S C -2.634 171.944 174.600 -0.037 0.000 1.104 174 S CA -2.206 55.974 58.200 -0.034 0.000 0.973 174 S CB 0.610 63.807 63.200 -0.005 0.000 1.121 174 S HN 0.160 nan 8.310 nan 0.000 0.523 175 P HA 0.207 nan 4.420 nan 0.000 0.248 175 P C -0.186 177.083 177.300 -0.052 0.000 1.550 175 P CA 0.215 63.286 63.100 -0.047 0.000 1.252 175 P CB -0.399 31.273 31.700 -0.047 0.000 1.869 176 K N 0.039 120.410 120.400 -0.049 0.000 2.623 176 K HA 0.149 4.469 4.320 -0.000 0.000 0.162 176 K C 0.177 176.749 176.600 -0.047 0.000 2.231 176 K CA 0.547 56.800 56.287 -0.058 0.000 1.364 176 K CB 0.043 32.500 32.500 -0.072 0.000 2.500 176 K HN 0.227 nan 8.250 nan 0.000 0.525 177 V N 0.322 120.216 119.914 -0.033 0.000 3.160 177 V HA 0.074 4.194 4.120 -0.000 0.000 0.457 177 V C -1.184 174.892 176.094 -0.029 0.000 0.682 177 V CA -0.530 61.745 62.300 -0.042 0.000 1.994 177 V CB -0.722 31.067 31.823 -0.057 0.000 2.466 177 V HN 0.725 nan 8.190 nan 0.000 0.494 178 S N 0.390 116.060 115.700 -0.049 0.000 2.541 178 S HA 0.993 5.463 4.470 -0.000 0.000 0.271 178 S C -0.615 173.930 174.600 -0.092 0.000 1.133 178 S CA 0.403 58.568 58.200 -0.058 0.000 0.876 178 S CB 2.588 65.757 63.200 -0.051 0.000 1.105 178 S HN 2.592 nan 8.310 nan 0.000 0.470 179 D N 0.740 121.090 120.400 -0.083 0.000 4.620 179 D HA -0.174 4.466 4.640 -0.000 0.000 0.139 179 D C 0.947 177.177 176.300 -0.117 0.000 0.782 179 D CA 2.086 56.036 54.000 -0.083 0.000 0.996 179 D CB -1.760 38.953 40.800 -0.145 0.000 0.622 179 D HN 0.929 nan 8.370 nan 0.000 0.607 180 T N -2.570 111.877 114.554 -0.178 0.000 2.958 180 T HA 0.319 4.669 4.350 -0.000 0.000 0.256 180 T C 1.612 176.122 174.700 -0.318 0.000 0.983 180 T CA 0.778 62.705 62.100 -0.289 0.000 0.924 180 T CB 0.027 68.625 68.868 -0.451 0.000 1.136 180 T HN 0.202 nan 8.240 nan 0.000 0.506 181 V N 1.915 121.729 119.914 -0.166 0.000 3.217 181 V HA 0.138 4.258 4.120 -0.000 0.000 0.264 181 V C 1.339 177.912 176.094 0.799 0.000 1.135 181 V CA 0.512 62.956 62.300 0.240 0.000 1.142 181 V CB -0.231 32.009 31.823 0.695 0.000 0.754 181 V HN 0.408 nan 8.190 nan 0.000 0.484 182 V N 2.024 122.080 119.914 0.236 0.000 2.157 182 V HA 0.092 4.212 4.120 -0.000 0.000 0.241 182 V C 1.354 177.547 176.094 0.165 0.000 1.349 182 V CA 0.165 62.517 62.300 0.087 0.000 1.319 182 V CB -0.531 31.162 31.823 -0.216 0.000 1.421 182 V HN 0.475 nan 8.190 nan 0.000 0.501 183 E N 4.687 125.047 120.200 0.266 0.000 2.023 183 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 183 E C -0.441 176.364 176.600 0.342 0.000 0.964 183 E CA 0.734 57.317 56.400 0.304 0.000 0.845 183 E CB -1.346 28.565 29.700 0.352 0.000 0.813 183 E HN 0.437 nan 8.360 nan 0.000 0.476 184 P HA -0.145 nan 4.420 nan 0.000 0.217 184 P C 1.608 178.732 177.300 -0.293 0.000 1.150 184 P CA 1.180 64.334 63.100 0.090 0.000 0.832 184 P CB -0.281 30.620 31.700 -1.333 0.000 0.787 185 Y N 1.849 121.929 120.300 -0.367 0.000 2.102 185 Y HA -0.224 4.326 4.550 -0.000 0.000 0.280 185 Y C 1.827 177.593 175.900 -0.223 0.000 1.178 185 Y CA 1.757 59.744 58.100 -0.188 0.000 1.146 185 Y CB -1.186 37.391 38.460 0.196 0.000 0.968 185 Y HN -0.055 nan 8.280 nan 0.000 0.504 186 N N -0.278 118.476 118.700 0.090 0.000 2.467 186 N HA 0.029 4.769 4.740 -0.000 0.000 0.184 186 N C 1.641 177.065 175.510 -0.143 0.000 1.106 186 N CA 0.839 53.888 53.050 -0.002 0.000 0.892 186 N CB -0.105 38.389 38.487 0.012 0.000 0.969 186 N HN 0.472 nan 8.380 nan 0.000 0.454 187 A N 0.586 123.267 122.820 -0.232 0.000 2.021 187 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 187 A C 2.314 179.550 177.584 -0.579 0.000 1.163 187 A CA 1.417 53.227 52.037 -0.378 0.000 0.676 187 A CB -0.532 18.162 19.000 -0.511 0.000 0.818 187 A HN 0.382 nan 8.150 nan 0.000 0.453 188 T N -1.710 112.374 114.554 -0.784 0.000 2.978 188 T HA 0.061 4.411 4.350 -0.000 0.000 0.262 188 T C 1.722 175.561 174.700 -1.435 0.000 1.063 188 T CA 0.920 62.277 62.100 -1.237 0.000 1.140 188 T CB -0.573 67.285 68.868 -1.682 0.000 0.886 188 T HN 0.257 nan 8.240 nan 0.000 0.470 189 L N 2.345 122.925 121.223 -1.071 0.000 2.349 189 L HA -0.089 4.251 4.340 -0.000 0.000 0.220 189 L C 3.014 179.800 176.870 -0.139 0.000 1.130 189 L CA 1.189 55.749 54.840 -0.467 0.000 0.791 189 L CB -0.882 41.159 42.059 -0.030 0.000 0.918 189 L HN 0.530 nan 8.230 nan 0.000 0.444 190 S N -0.794 114.771 115.700 -0.226 0.000 2.303 190 S HA -0.097 4.373 4.470 -0.000 0.000 0.207 190 S C 1.867 176.421 174.600 -0.078 0.000 1.025 190 S CA 0.677 58.823 58.200 -0.090 0.000 0.953 190 S CB -0.831 62.248 63.200 -0.201 0.000 0.932 190 S HN 0.069 nan 8.310 nan 0.000 0.472 191 V N 4.051 123.813 119.914 -0.253 0.000 2.428 191 V HA -0.272 3.847 4.120 -0.000 0.000 0.255 191 V C 2.828 178.888 176.094 -0.057 0.000 1.080 191 V CA 2.401 64.591 62.300 -0.183 0.000 1.083 191 V CB -1.496 30.184 31.823 -0.238 0.000 0.665 191 V HN 0.813 nan 8.190 nan 0.000 0.461 192 H N 0.304 119.280 119.070 -0.157 0.000 2.502 192 H HA -0.019 4.537 4.556 -0.000 0.000 0.283 192 H C 1.932 177.253 175.328 -0.012 0.000 1.015 192 H CA 1.601 57.629 56.048 -0.033 0.000 1.298 192 H CB 0.000 29.811 29.762 0.081 0.000 1.411 192 H HN 0.560 nan 8.280 nan 0.000 0.556 193 Q N 0.114 120.024 119.800 0.184 0.000 2.376 193 Q HA 0.145 4.484 4.340 -0.000 0.000 0.206 193 Q C 2.291 178.265 176.000 -0.043 0.000 0.921 193 Q CA 0.207 56.036 55.803 0.042 0.000 0.911 193 Q CB 0.785 29.693 28.738 0.284 0.000 1.032 193 Q HN 0.391 nan 8.270 nan 0.000 0.510 194 L N -0.831 120.377 121.223 -0.024 0.000 2.004 194 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 194 L C 1.313 178.092 176.870 -0.152 0.000 1.089 194 L CA 0.724 55.502 54.840 -0.103 0.000 0.756 194 L CB -0.010 42.007 42.059 -0.070 0.000 0.900 194 L HN -0.032 nan 8.230 nan 0.000 0.440 195 V N -2.037 117.799 119.914 -0.130 0.000 3.999 195 V HA -0.160 3.960 4.120 -0.000 0.000 0.241 195 V C 0.066 176.095 176.094 -0.108 0.000 1.234 195 V CA 0.611 62.851 62.300 -0.100 0.000 1.501 195 V CB -1.220 30.553 31.823 -0.083 0.000 1.007 195 V HN 0.574 nan 8.190 nan 0.000 1.296 196 E N 0.150 120.248 120.200 -0.170 0.000 2.876 196 E HA 0.316 4.666 4.350 -0.000 0.000 0.208 196 E C 0.724 177.188 176.600 -0.227 0.000 0.981 196 E CA 0.368 56.634 56.400 -0.222 0.000 1.174 196 E CB 0.521 29.951 29.700 -0.450 0.000 1.047 196 E HN 0.628 nan 8.360 nan 0.000 0.477 197 N N 1.651 120.247 118.700 -0.174 0.000 2.782 197 N HA -0.141 4.598 4.740 -0.000 0.000 0.251 197 N C -0.760 174.647 175.510 -0.172 0.000 1.101 197 N CA 1.283 54.243 53.050 -0.149 0.000 0.764 197 N CB -1.665 36.739 38.487 -0.137 0.000 1.122 197 N HN 0.262 nan 8.380 nan 0.000 0.561 198 T N -2.752 111.685 114.554 -0.196 0.000 2.728 198 T HA 0.325 4.675 4.350 -0.000 0.000 0.296 198 T C 0.919 175.507 174.700 -0.187 0.000 0.940 198 T CA -0.188 61.802 62.100 -0.184 0.000 1.013 198 T CB 1.851 70.590 68.868 -0.215 0.000 0.912 198 T HN 0.111 nan 8.240 nan 0.000 0.484 199 D N 3.090 123.410 120.400 -0.134 0.000 2.107 199 D HA 0.001 4.641 4.640 -0.000 0.000 0.204 199 D C 0.489 176.724 176.300 -0.109 0.000 0.978 199 D CA 1.057 55.001 54.000 -0.094 0.000 0.852 199 D CB 0.351 41.126 40.800 -0.041 0.000 1.008 199 D HN 0.829 nan 8.370 nan 0.000 0.458 200 E N -1.556 118.578 120.200 -0.110 0.000 2.359 200 E HA 0.553 4.903 4.350 -0.000 0.000 0.266 200 E C -0.928 175.500 176.600 -0.286 0.000 0.920 200 E CA -0.768 55.606 56.400 -0.043 0.000 0.788 200 E CB 2.260 32.061 29.700 0.169 0.000 1.279 200 E HN 0.142 nan 8.360 nan 0.000 0.438 201 T N -1.061 113.282 114.554 -0.352 0.000 3.237 201 T HA 0.427 4.777 4.350 -0.000 0.000 0.319 201 T C -1.371 173.228 174.700 -0.168 0.000 1.037 201 T CA -0.759 61.176 62.100 -0.275 0.000 1.048 201 T CB 0.087 68.768 68.868 -0.312 0.000 1.081 201 T HN 0.249 nan 8.240 nan 0.000 0.455 202 Y N 0.707 121.109 120.300 0.170 0.000 2.376 202 Y HA 0.697 5.247 4.550 -0.000 0.000 0.325 202 Y C 0.726 176.774 175.900 0.247 0.000 1.199 202 Y CA -1.107 57.123 58.100 0.217 0.000 1.206 202 Y CB 1.340 39.862 38.460 0.105 0.000 1.229 202 Y HN 0.888 nan 8.280 nan 0.000 0.480 203 C N 2.955 122.516 119.300 0.435 0.000 2.561 203 C HA 0.747 5.207 4.460 -0.000 0.000 0.319 203 C C -0.109 175.042 174.990 0.268 0.000 1.198 203 C CA -1.072 58.122 59.018 0.294 0.000 1.665 203 C CB 0.410 28.279 27.740 0.215 0.000 2.258 203 C HN 0.785 nan 8.230 nan 0.000 0.493 204 I N 1.851 122.549 120.570 0.212 0.000 2.387 204 I HA -0.017 4.153 4.170 -0.000 0.000 0.299 204 I C -1.405 174.772 176.117 0.100 0.000 1.732 204 I CA -0.088 61.304 61.300 0.152 0.000 0.812 204 I CB -0.245 37.862 38.000 0.179 0.000 1.769 204 I HN 0.575 nan 8.210 nan 0.000 0.482 205 D N 2.332 122.776 120.400 0.072 0.000 2.425 205 D HA 0.126 4.766 4.640 -0.000 0.000 0.247 205 D C 1.154 177.472 176.300 0.029 0.000 1.147 205 D CA 0.146 54.173 54.000 0.044 0.000 0.879 205 D CB 0.971 41.787 40.800 0.027 0.000 1.179 205 D HN 0.279 nan 8.370 nan 0.000 0.456 206 N N 1.579 120.304 118.700 0.041 0.000 2.457 206 N HA -0.132 4.608 4.740 -0.000 0.000 0.180 206 N C 1.372 177.012 175.510 0.217 0.000 1.050 206 N CA 0.350 53.407 53.050 0.012 0.000 0.906 206 N CB 0.313 38.844 38.487 0.073 0.000 0.968 206 N HN 0.449 nan 8.380 nan 0.000 0.445 207 E N 1.118 121.437 120.200 0.199 0.000 2.371 207 E HA 0.109 4.459 4.350 -0.000 0.000 0.194 207 E C 1.411 178.125 176.600 0.191 0.000 1.012 207 E CA 0.527 57.054 56.400 0.212 0.000 0.860 207 E CB 0.036 29.771 29.700 0.059 0.000 0.811 207 E HN 0.231 nan 8.360 nan 0.000 0.502 208 A N 0.012 122.902 122.820 0.115 0.000 2.063 208 A HA 0.205 4.525 4.320 -0.000 0.000 0.211 208 A C 2.011 179.623 177.584 0.047 0.000 1.177 208 A CA 0.016 52.098 52.037 0.075 0.000 0.759 208 A CB -0.318 18.712 19.000 0.050 0.000 0.857 208 A HN 0.324 nan 8.150 nan 0.000 0.468 209 L N -1.181 120.023 121.223 -0.032 0.000 2.191 209 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 209 L C 2.306 179.056 176.870 -0.199 0.000 1.103 209 L CA 1.291 56.033 54.840 -0.164 0.000 0.769 209 L CB -0.335 41.529 42.059 -0.325 0.000 0.908 209 L HN 0.564 nan 8.230 nan 0.000 0.438 210 Y N -0.161 120.105 120.300 -0.056 0.000 2.153 210 Y HA -0.240 4.310 4.550 -0.000 0.000 0.289 210 Y C 2.389 178.296 175.900 0.012 0.000 1.127 210 Y CA 1.083 59.142 58.100 -0.068 0.000 1.131 210 Y CB -0.558 37.810 38.460 -0.153 0.000 0.995 210 Y HN 0.188 nan 8.280 nan 0.000 0.505 211 D N 0.487 120.996 120.400 0.182 0.000 2.191 211 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 211 D C 2.108 178.498 176.300 0.149 0.000 1.007 211 D CA 1.877 55.970 54.000 0.156 0.000 0.865 211 D CB -0.577 40.283 40.800 0.100 0.000 0.929 211 D HN 0.349 nan 8.370 nan 0.000 0.447 212 I N 0.196 120.823 120.570 0.095 0.000 2.202 212 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 212 I C 1.655 177.819 176.117 0.079 0.000 1.091 212 I CA 0.713 62.053 61.300 0.065 0.000 1.368 212 I CB -0.202 37.816 38.000 0.031 0.000 1.058 212 I HN 0.019 nan 8.210 nan 0.000 0.410 213 C N 0.434 119.784 119.300 0.083 0.000 2.399 213 C HA 0.050 4.509 4.460 -0.000 0.000 0.348 213 C C 1.356 176.500 174.990 0.257 0.000 1.318 213 C CA 0.113 59.189 59.018 0.097 0.000 1.621 213 C CB -2.135 25.619 27.740 0.025 0.000 1.683 213 C HN 0.587 nan 8.230 nan 0.000 0.595 214 F N -1.200 118.757 119.950 0.011 0.000 3.043 214 F HA 0.202 4.729 4.527 -0.000 0.000 0.400 214 F C 1.693 177.499 175.800 0.011 0.000 1.022 214 F CA -0.033 57.979 58.000 0.021 0.000 1.005 214 F CB -0.118 38.913 39.000 0.052 0.000 1.338 214 F HN -0.078 nan 8.300 nan 0.000 0.543 215 R N -0.307 120.248 120.500 0.091 0.000 2.009 215 R HA 0.085 4.425 4.340 -0.000 0.000 0.206 215 R C 2.142 178.421 176.300 -0.036 0.000 1.356 215 R CA 1.485 57.590 56.100 0.009 0.000 1.088 215 R CB -0.809 29.527 30.300 0.061 0.000 0.959 215 R HN 0.251 nan 8.270 nan 0.000 0.469 216 T N 0.718 115.270 114.554 -0.002 0.000 2.665 216 T HA -0.099 4.251 4.350 -0.000 0.000 0.268 216 T C 1.202 175.885 174.700 -0.029 0.000 1.035 216 T CA 1.016 63.107 62.100 -0.016 0.000 1.151 216 T CB -0.475 68.398 68.868 0.008 0.000 0.862 216 T HN -0.044 nan 8.240 nan 0.000 0.438 217 L N 0.793 122.005 121.223 -0.018 0.000 2.416 217 L HA 0.476 4.815 4.340 -0.000 0.000 0.262 217 L C 1.732 178.549 176.870 -0.089 0.000 1.093 217 L CA -0.768 54.051 54.840 -0.034 0.000 0.801 217 L CB 1.180 43.236 42.059 -0.005 0.000 1.191 217 L HN 0.024 nan 8.230 nan 0.000 0.459 218 K N 1.305 121.646 120.400 -0.098 0.000 2.262 218 K HA 0.229 4.549 4.320 -0.000 0.000 0.200 218 K C 0.074 176.581 176.600 -0.155 0.000 1.058 218 K CA -0.165 56.016 56.287 -0.178 0.000 0.974 218 K CB 0.198 32.624 32.500 -0.124 0.000 0.910 218 K HN 0.418 nan 8.250 nan 0.000 0.484 219 L N 2.264 123.469 121.223 -0.030 0.000 4.625 219 L HA -0.244 4.096 4.340 -0.000 0.000 0.580 219 L C 1.169 178.080 176.870 0.068 0.000 1.001 219 L CA 0.504 55.371 54.840 0.045 0.000 0.521 219 L CB -0.527 41.614 42.059 0.136 0.000 0.337 219 L HN 0.526 nan 8.230 nan 0.000 1.151 220 T N -2.276 112.318 114.554 0.067 0.000 2.942 220 T HA -0.001 4.348 4.350 -0.000 0.000 0.265 220 T C 0.784 175.623 174.700 0.232 0.000 1.062 220 T CA 1.000 63.153 62.100 0.090 0.000 1.139 220 T CB -0.092 68.809 68.868 0.054 0.000 0.883 220 T HN 0.797 nan 8.240 nan 0.000 0.468 221 T N 0.762 115.425 114.554 0.181 0.000 2.963 221 T HA 0.615 4.965 4.350 -0.000 0.000 0.328 221 T C -2.920 171.860 174.700 0.133 0.000 1.048 221 T CA -1.661 60.530 62.100 0.151 0.000 1.033 221 T CB 1.861 70.787 68.868 0.098 0.000 1.010 221 T HN 0.007 nan 8.240 nan 0.000 0.469 222 P HA 0.531 nan 4.420 nan 0.000 0.317 222 P C -0.127 177.221 177.300 0.080 0.000 1.316 222 P CA -0.121 63.043 63.100 0.106 0.000 0.744 222 P CB 0.227 31.990 31.700 0.105 0.000 1.521 223 T N -6.483 108.092 114.554 0.035 0.000 2.907 223 T HA 0.249 4.599 4.350 -0.000 0.000 0.344 223 T C 0.095 174.790 174.700 -0.008 0.000 1.675 223 T CA -0.474 61.665 62.100 0.064 0.000 1.076 223 T CB -0.084 68.831 68.868 0.078 0.000 1.483 223 T HN 0.160 nan 8.240 nan 0.000 0.487 224 Y N 1.480 121.793 120.300 0.023 0.000 2.242 224 Y HA 0.150 4.699 4.550 -0.000 0.000 0.291 224 Y C 2.692 178.583 175.900 -0.014 0.000 1.137 224 Y CA 2.154 60.253 58.100 -0.001 0.000 1.181 224 Y CB -0.376 38.093 38.460 0.015 0.000 0.989 224 Y HN 0.936 nan 8.280 nan 0.000 0.527 225 G N -1.084 107.788 108.800 0.121 0.000 2.448 225 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 225 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 225 G C 1.370 176.278 174.900 0.015 0.000 1.135 225 G CA 1.033 46.162 45.100 0.048 0.000 0.784 225 G HN 0.304 nan 8.290 nan 0.000 0.543 226 D N 0.176 120.589 120.400 0.022 0.000 2.224 226 D HA -0.033 4.607 4.640 -0.000 0.000 0.205 226 D C 2.275 178.570 176.300 -0.009 0.000 0.965 226 D CA 0.170 54.191 54.000 0.035 0.000 0.852 226 D CB -0.076 40.745 40.800 0.034 0.000 0.947 226 D HN 0.130 nan 8.370 nan 0.000 0.494 227 L N 1.026 122.199 121.223 -0.082 0.000 2.353 227 L HA -0.056 4.283 4.340 -0.000 0.000 0.220 227 L C 1.750 178.567 176.870 -0.087 0.000 1.133 227 L CA 1.006 55.759 54.840 -0.144 0.000 0.798 227 L CB -0.609 41.274 42.059 -0.293 0.000 0.922 227 L HN 0.040 nan 8.230 nan 0.000 0.445 228 N N -2.038 116.627 118.700 -0.058 0.000 2.300 228 N HA -0.132 4.608 4.740 -0.000 0.000 0.179 228 N C 1.735 177.178 175.510 -0.112 0.000 1.016 228 N CA 0.554 53.560 53.050 -0.074 0.000 0.876 228 N CB -0.224 38.221 38.487 -0.069 0.000 0.979 228 N HN 0.413 nan 8.380 nan 0.000 0.432 229 H N 1.439 120.430 119.070 -0.133 0.000 2.254 229 H HA -0.131 4.425 4.556 -0.000 0.000 0.294 229 H C 2.097 177.300 175.328 -0.208 0.000 1.071 229 H CA 1.352 57.297 56.048 -0.171 0.000 1.228 229 H CB -0.598 29.079 29.762 -0.142 0.000 1.358 229 H HN 0.057 nan 8.280 nan 0.000 0.495 230 L N 0.485 121.678 121.223 -0.050 0.000 2.026 230 L HA -0.267 4.073 4.340 -0.000 0.000 0.231 230 L C 2.752 179.534 176.870 -0.146 0.000 1.095 230 L CA 1.869 56.639 54.840 -0.118 0.000 0.810 230 L CB -1.024 40.983 42.059 -0.086 0.000 0.909 230 L HN 0.096 nan 8.230 nan 0.000 0.444 231 V N -0.244 119.614 119.914 -0.093 0.000 2.343 231 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 231 V C 2.703 178.744 176.094 -0.088 0.000 1.051 231 V CA 1.740 64.011 62.300 -0.048 0.000 1.036 231 V CB -0.901 30.912 31.823 -0.018 0.000 0.654 231 V HN 0.823 nan 8.190 nan 0.000 0.451 232 S N 1.331 116.929 115.700 -0.170 0.000 2.392 232 S HA -0.301 4.168 4.470 -0.000 0.000 0.232 232 S C 2.090 176.495 174.600 -0.326 0.000 1.041 232 S CA 1.675 59.697 58.200 -0.297 0.000 1.026 232 S CB -0.751 62.246 63.200 -0.338 0.000 0.845 232 S HN 0.638 nan 8.310 nan 0.000 0.465 233 A N 1.868 124.449 122.820 -0.399 0.000 1.865 233 A HA -0.080 4.239 4.320 -0.000 0.000 0.217 233 A C 2.507 180.073 177.584 -0.030 0.000 1.191 233 A CA 2.260 53.956 52.037 -0.570 0.000 0.623 233 A CB -1.750 16.514 19.000 -1.227 0.000 0.826 233 A HN 0.581 nan 8.150 nan 0.000 0.444 234 T N -0.100 114.462 114.554 0.014 0.000 2.915 234 T HA -0.053 4.297 4.350 -0.000 0.000 0.269 234 T C 1.846 176.597 174.700 0.085 0.000 1.071 234 T CA 1.643 63.799 62.100 0.094 0.000 1.132 234 T CB -0.251 68.675 68.868 0.096 0.000 0.878 234 T HN 0.445 nan 8.240 nan 0.000 0.479 235 M N 1.003 120.693 119.600 0.150 0.000 2.299 235 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 235 M C 2.790 179.121 176.300 0.051 0.000 1.095 235 M CA 1.077 56.586 55.300 0.350 0.000 1.165 235 M CB -0.389 32.896 32.600 1.142 0.000 1.349 235 M HN 0.298 nan 8.290 nan 0.000 0.446 236 S N 0.733 116.327 115.700 -0.176 0.000 2.383 236 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 236 S C 2.010 176.541 174.600 -0.115 0.000 1.030 236 S CA 1.425 59.497 58.200 -0.213 0.000 1.002 236 S CB -1.443 61.605 63.200 -0.253 0.000 0.829 236 S HN 0.542 nan 8.310 nan 0.000 0.467 237 G N 1.123 109.910 108.800 -0.021 0.000 2.402 237 G HA2 -0.063 3.896 3.960 -0.000 0.000 0.216 237 G HA3 -0.063 3.896 3.960 -0.000 0.000 0.216 237 G C 1.407 176.297 174.900 -0.016 0.000 1.162 237 G CA 1.001 46.092 45.100 -0.015 0.000 0.777 237 G HN 0.495 nan 8.290 nan 0.000 0.539 238 V N 1.320 121.244 119.914 0.015 0.000 2.273 238 V HA -0.116 4.004 4.120 -0.000 0.000 0.242 238 V C 3.276 179.411 176.094 0.068 0.000 1.035 238 V CA 2.451 64.775 62.300 0.040 0.000 1.013 238 V CB -0.790 31.064 31.823 0.051 0.000 0.652 238 V HN 0.617 nan 8.190 nan 0.000 0.452 239 T N -2.197 112.433 114.554 0.128 0.000 2.643 239 T HA -0.181 4.169 4.350 -0.000 0.000 0.256 239 T C 1.891 176.667 174.700 0.125 0.000 1.061 239 T CA 2.030 64.241 62.100 0.186 0.000 1.163 239 T CB -0.988 68.086 68.868 0.343 0.000 0.865 239 T HN 0.370 nan 8.240 nan 0.000 0.407 240 T N 1.713 116.265 114.554 -0.004 0.000 2.684 240 T HA -0.020 4.329 4.350 -0.000 0.000 0.267 240 T C 1.217 175.806 174.700 -0.185 0.000 1.036 240 T CA 1.069 62.916 62.100 -0.421 0.000 1.148 240 T CB -0.942 67.052 68.868 -1.456 0.000 0.863 240 T HN 0.524 nan 8.240 nan 0.000 0.436 241 C N 2.056 121.278 119.300 -0.131 0.000 2.629 241 C HA 0.435 4.894 4.460 -0.000 0.000 0.410 241 C C 1.559 176.552 174.990 0.005 0.000 1.339 241 C CA -0.531 58.453 59.018 -0.057 0.000 1.810 241 C CB -1.339 26.370 27.740 -0.052 0.000 2.549 241 C HN 0.682 nan 8.230 nan 0.000 0.589 242 L N 0.427 121.673 121.223 0.038 0.000 2.614 242 L HA -0.208 4.132 4.340 -0.000 0.000 0.457 242 L C 2.022 178.929 176.870 0.060 0.000 0.720 242 L CA 1.120 55.986 54.840 0.044 0.000 2.903 242 L CB -1.241 40.834 42.059 0.027 0.000 0.873 242 L HN 0.715 nan 8.230 nan 0.000 0.686 243 R N -0.456 120.091 120.500 0.077 0.000 2.112 243 R HA 0.156 4.496 4.340 -0.000 0.000 0.216 243 R C 0.845 177.233 176.300 0.146 0.000 1.080 243 R CA 0.698 56.865 56.100 0.111 0.000 0.996 243 R CB 0.116 30.503 30.300 0.144 0.000 0.902 243 R HN 0.091 nan 8.270 nan 0.000 0.449 244 F N 2.157 122.064 119.950 -0.072 0.000 2.375 244 F HA 0.185 4.711 4.527 -0.000 0.000 0.313 244 F C -1.463 174.337 175.800 -0.001 0.000 1.176 244 F CA -2.544 55.399 58.000 -0.094 0.000 1.142 244 F CB 0.394 39.206 39.000 -0.314 0.000 1.275 244 F HN -0.166 nan 8.300 nan 0.000 0.544 245 P HA 0.063 nan 4.420 nan 0.000 0.223 245 P C -0.741 176.585 177.300 0.043 0.000 1.212 245 P CA 1.242 64.327 63.100 -0.025 0.000 0.901 245 P CB -0.418 31.271 31.700 -0.019 0.000 0.588 246 G N -2.385 106.445 108.800 0.050 0.000 2.841 246 G HA2 0.004 3.964 3.960 -0.000 0.000 0.684 246 G HA3 0.004 3.964 3.960 -0.000 0.000 0.684 246 G C -1.377 173.546 174.900 0.039 0.000 1.273 246 G CA -0.827 44.305 45.100 0.053 0.000 0.811 246 G HN 0.434 nan 8.290 nan 0.000 0.631 247 Q N 0.642 120.465 119.800 0.039 0.000 2.261 247 Q HA 0.488 4.828 4.340 -0.000 0.000 0.252 247 Q C 0.868 176.888 176.000 0.034 0.000 0.915 247 Q CA -0.968 54.853 55.803 0.030 0.000 0.915 247 Q CB 1.963 30.716 28.738 0.024 0.000 1.204 247 Q HN 1.056 nan 8.270 nan 0.000 0.421 248 L N 4.205 125.448 121.223 0.033 0.000 3.544 248 L HA -0.230 4.110 4.340 -0.000 0.000 0.404 248 L C -0.808 176.084 176.870 0.036 0.000 1.080 248 L CA 0.879 55.738 54.840 0.032 0.000 0.763 248 L CB -0.339 41.742 42.059 0.037 0.000 1.168 248 L HN 0.692 nan 8.230 nan 0.000 0.723 249 N N 4.179 122.897 118.700 0.029 0.000 2.321 249 N HA 0.728 5.468 4.740 -0.000 0.000 0.299 249 N C -1.112 174.410 175.510 0.020 0.000 1.048 249 N CA -0.257 52.810 53.050 0.029 0.000 0.836 249 N CB 1.955 40.460 38.487 0.030 0.000 1.269 249 N HN 0.732 nan 8.380 nan 0.000 0.486 250 A N 1.454 124.283 122.820 0.016 0.000 2.285 250 A HA 0.453 4.773 4.320 -0.000 0.000 0.310 250 A C -0.916 176.675 177.584 0.011 0.000 1.266 250 A CA -0.782 51.258 52.037 0.005 0.000 0.832 250 A CB 0.182 19.175 19.000 -0.012 0.000 1.163 250 A HN 0.676 nan 8.150 nan 0.000 0.499 251 D N 1.750 122.158 120.400 0.014 0.000 2.344 251 D HA 0.232 4.872 4.640 -0.000 0.000 0.244 251 D C 1.672 177.982 176.300 0.016 0.000 1.134 251 D CA -0.428 53.585 54.000 0.022 0.000 0.930 251 D CB 0.737 41.551 40.800 0.024 0.000 1.175 251 D HN 0.428 nan 8.370 nan 0.000 0.437 252 L N 0.530 121.770 121.223 0.029 0.000 2.151 252 L HA -0.252 4.087 4.340 -0.000 0.000 0.215 252 L C 2.355 179.231 176.870 0.011 0.000 1.084 252 L CA 1.284 56.141 54.840 0.028 0.000 0.764 252 L CB -0.320 41.766 42.059 0.045 0.000 0.891 252 L HN 0.327 nan 8.230 nan 0.000 0.435 253 R N 0.266 120.774 120.500 0.013 0.000 2.189 253 R HA -0.094 4.246 4.340 -0.000 0.000 0.218 253 R C 2.156 178.451 176.300 -0.010 0.000 1.074 253 R CA 0.724 56.828 56.100 0.006 0.000 0.991 253 R CB 0.067 30.375 30.300 0.013 0.000 0.883 253 R HN 0.405 nan 8.270 nan 0.000 0.457 254 K N 0.323 120.715 120.400 -0.014 0.000 2.211 254 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 254 K C 1.986 178.553 176.600 -0.055 0.000 1.050 254 K CA 0.843 57.113 56.287 -0.028 0.000 0.945 254 K CB 0.010 32.496 32.500 -0.023 0.000 0.732 254 K HN 0.177 nan 8.250 nan 0.000 0.451 255 L N 0.233 121.421 121.223 -0.058 0.000 2.083 255 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 255 L C 2.433 179.240 176.870 -0.105 0.000 1.083 255 L CA 1.151 55.927 54.840 -0.108 0.000 0.752 255 L CB -0.466 41.550 42.059 -0.072 0.000 0.899 255 L HN 0.184 nan 8.230 nan 0.000 0.433 256 A N -1.043 121.750 122.820 -0.046 0.000 2.081 256 A HA 0.043 4.363 4.320 -0.000 0.000 0.214 256 A C 2.063 179.647 177.584 0.000 0.000 1.158 256 A CA 0.562 52.595 52.037 -0.006 0.000 0.724 256 A CB -0.095 18.908 19.000 0.005 0.000 0.826 256 A HN 0.207 nan 8.150 nan 0.000 0.463 257 V N 0.208 120.111 119.914 -0.020 0.000 3.471 257 V HA -0.079 4.041 4.120 -0.000 0.000 0.258 257 V C 1.715 177.791 176.094 -0.030 0.000 1.192 257 V CA 1.453 63.739 62.300 -0.024 0.000 1.116 257 V CB -0.753 31.053 31.823 -0.028 0.000 0.792 257 V HN 0.600 nan 8.190 nan 0.000 0.459 258 N N -0.067 118.603 118.700 -0.050 0.000 2.290 258 N HA -0.015 4.725 4.740 -0.000 0.000 0.179 258 N C 1.617 177.098 175.510 -0.048 0.000 1.016 258 N CA 1.006 54.021 53.050 -0.059 0.000 0.871 258 N CB -0.030 38.397 38.487 -0.100 0.000 0.987 258 N HN 0.251 nan 8.380 nan 0.000 0.431 259 M N 0.309 119.860 119.600 -0.082 0.000 2.567 259 M HA 0.202 4.682 4.480 -0.000 0.000 0.261 259 M C -0.017 176.492 176.300 0.348 0.000 1.180 259 M CA 0.398 55.722 55.300 0.039 0.000 1.143 259 M CB 0.257 32.305 32.600 -0.920 0.000 1.319 259 M HN -0.184 nan 8.290 nan 0.000 0.490 260 V N 3.571 123.608 119.914 0.205 0.000 2.407 260 V HA 0.273 4.393 4.120 -0.000 0.000 0.278 260 V C -2.071 173.951 176.094 -0.120 0.000 1.037 260 V CA -0.786 61.513 62.300 -0.002 0.000 0.900 260 V CB 1.224 33.156 31.823 0.182 0.000 0.983 260 V HN 0.119 nan 8.190 nan 0.000 0.459 261 P HA 0.569 nan 4.420 nan 0.000 0.271 261 P C -0.903 176.269 177.300 -0.213 0.000 1.847 261 P CA -0.239 62.767 63.100 -0.156 0.000 1.211 261 P CB 0.064 31.797 31.700 0.056 0.000 1.801 262 F N -1.896 118.026 119.950 -0.048 0.000 3.010 262 F HA 0.084 4.611 4.527 -0.000 0.000 0.333 262 F C -2.090 173.847 175.800 0.228 0.000 1.068 262 F CA -1.021 57.052 58.000 0.122 0.000 0.846 262 F CB -0.506 38.647 39.000 0.254 0.000 2.091 262 F HN -0.327 nan 8.300 nan 0.000 0.423 263 P HA 0.016 nan 4.420 nan 0.000 0.217 263 P C 0.225 177.574 177.300 0.082 0.000 1.154 263 P CA 1.140 64.353 63.100 0.188 0.000 0.841 263 P CB 0.230 32.000 31.700 0.116 0.000 0.788 264 R N 0.014 120.526 120.500 0.020 0.000 2.756 264 R HA 0.068 4.407 4.340 -0.000 0.000 0.264 264 R C 0.277 176.395 176.300 -0.303 0.000 1.026 264 R CA -0.637 55.376 56.100 -0.145 0.000 1.121 264 R CB -0.304 29.898 30.300 -0.162 0.000 0.999 264 R HN 0.027 nan 8.270 nan 0.000 0.449 265 L N 3.655 124.663 121.223 -0.359 0.000 2.678 265 L HA -0.009 4.331 4.340 -0.000 0.000 0.276 265 L C -0.582 175.685 176.870 -1.005 0.000 1.142 265 L CA 0.630 55.095 54.840 -0.624 0.000 0.961 265 L CB -0.562 41.041 42.059 -0.760 0.000 1.291 265 L HN 0.376 nan 8.230 nan 0.000 0.476 266 H N 5.216 123.954 119.070 -0.553 0.000 2.767 266 H HA 0.316 4.872 4.556 -0.000 0.000 0.316 266 H C -0.661 173.906 175.328 -1.267 0.000 1.059 266 H CA 0.564 56.298 56.048 -0.524 0.000 1.461 266 H CB 0.352 30.034 29.762 -0.133 0.000 1.475 266 H HN 0.508 nan 8.280 nan 0.000 0.531 267 F N 3.304 122.835 119.950 -0.699 0.000 2.458 267 F HA 0.456 4.983 4.527 -0.000 0.000 0.330 267 F C -0.451 174.836 175.800 -0.854 0.000 1.082 267 F CA -0.637 56.925 58.000 -0.730 0.000 0.995 267 F CB 0.906 39.789 39.000 -0.196 0.000 1.170 267 F HN 0.351 nan 8.300 nan 0.000 0.478 268 F N 1.338 121.475 119.950 0.312 0.000 2.650 268 F HA 0.653 5.180 4.527 -0.000 0.000 0.320 268 F C -0.522 175.466 175.800 0.313 0.000 1.091 268 F CA -1.294 56.873 58.000 0.279 0.000 0.962 268 F CB 1.262 40.349 39.000 0.144 0.000 1.363 268 F HN 0.051 nan 8.300 nan 0.000 0.482 269 M N 2.786 122.737 119.600 0.585 0.000 2.456 269 M HA 0.606 5.086 4.480 -0.000 0.000 0.324 269 M C -3.001 173.624 176.300 0.542 0.000 1.124 269 M CA -2.139 53.457 55.300 0.493 0.000 0.959 269 M CB 2.008 34.887 32.600 0.465 0.000 1.692 269 M HN 0.275 nan 8.290 nan 0.000 0.444 270 P HA 0.648 nan 4.420 nan 0.000 0.345 270 P C -1.318 176.173 177.300 0.318 0.000 1.403 270 P CA -0.366 62.997 63.100 0.438 0.000 1.348 270 P CB 2.873 34.782 31.700 0.348 0.000 2.287 271 G N 0.517 109.474 108.800 0.262 0.000 2.533 271 G HA2 0.697 4.657 3.960 -0.000 0.000 0.304 271 G HA3 0.697 4.657 3.960 -0.000 0.000 0.304 271 G C -2.224 172.778 174.900 0.170 0.000 1.263 271 G CA -0.728 44.451 45.100 0.131 0.000 0.964 271 G HN 0.364 nan 8.290 nan 0.000 0.479 272 F N 1.266 121.211 119.950 -0.008 0.000 2.507 272 F HA 0.706 5.232 4.527 -0.000 0.000 0.328 272 F C 0.072 175.857 175.800 -0.025 0.000 1.136 272 F CA -0.700 57.289 58.000 -0.018 0.000 0.930 272 F CB 1.895 40.886 39.000 -0.015 0.000 1.166 272 F HN 0.689 nan 8.300 nan 0.000 0.436 273 A N 6.592 129.276 122.820 -0.227 0.000 2.350 273 A HA 1.003 5.322 4.320 -0.000 0.000 0.324 273 A C -2.626 174.841 177.584 -0.194 0.000 1.118 273 A CA -1.552 50.414 52.037 -0.118 0.000 0.783 273 A CB 1.539 20.479 19.000 -0.100 0.000 1.236 273 A HN 0.653 nan 8.150 nan 0.000 0.457 274 P HA -0.116 nan 4.420 nan 0.000 0.535 274 P C 0.279 177.672 177.300 0.156 0.000 0.604 274 P CA 0.225 63.344 63.100 0.033 0.000 2.509 274 P CB -1.674 29.996 31.700 -0.049 0.000 1.141 275 L N -0.299 120.999 121.223 0.124 0.000 2.027 275 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 275 L C 2.199 179.099 176.870 0.049 0.000 1.074 275 L CA 2.993 57.895 54.840 0.103 0.000 0.745 275 L CB -0.786 41.314 42.059 0.070 0.000 0.898 275 L HN 0.399 nan 8.230 nan 0.000 0.433 276 T N -8.647 105.926 114.554 0.032 0.000 3.704 276 T HA 0.006 4.356 4.350 -0.000 0.000 0.314 276 T C 0.255 174.975 174.700 0.034 0.000 0.871 276 T CA 0.263 62.386 62.100 0.039 0.000 1.055 276 T CB 0.039 68.934 68.868 0.046 0.000 1.091 276 T HN 0.063 nan 8.240 nan 0.000 0.619 277 S N 1.169 116.876 115.700 0.011 0.000 2.913 277 S HA -0.061 4.408 4.470 -0.000 0.000 0.856 277 S C 0.788 175.398 174.600 0.017 0.000 0.913 277 S CA 0.303 58.507 58.200 0.006 0.000 1.428 277 S CB -0.332 62.876 63.200 0.014 0.000 1.022 277 S HN 0.753 nan 8.310 nan 0.000 0.260 278 R N 2.044 122.542 120.500 -0.004 0.000 2.136 278 R HA -0.226 4.114 4.340 -0.000 0.000 0.242 278 R C 2.397 178.704 176.300 0.011 0.000 1.131 278 R CA 2.503 58.601 56.100 -0.004 0.000 0.937 278 R CB -0.791 29.503 30.300 -0.010 0.000 0.863 278 R HN 0.802 nan 8.270 nan 0.000 0.435 279 G N -1.165 107.645 108.800 0.016 0.000 2.425 279 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.213 279 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.213 279 G C 1.157 176.090 174.900 0.054 0.000 1.201 279 G CA 0.592 45.707 45.100 0.024 0.000 0.799 279 G HN 0.304 nan 8.290 nan 0.000 0.534 280 S N 1.491 117.257 115.700 0.109 0.000 2.592 280 S HA -0.185 4.284 4.470 -0.000 0.000 0.256 280 S C 2.229 176.966 174.600 0.229 0.000 0.974 280 S CA 1.247 59.608 58.200 0.269 0.000 0.963 280 S CB -0.450 62.911 63.200 0.268 0.000 0.750 280 S HN 0.796 nan 8.310 nan 0.000 0.538 281 Q N 0.634 120.489 119.800 0.092 0.000 2.404 281 Q HA -0.235 4.104 4.340 -0.000 0.000 0.214 281 Q C 1.251 177.273 176.000 0.035 0.000 0.992 281 Q CA 1.237 57.074 55.803 0.058 0.000 0.899 281 Q CB -0.270 28.480 28.738 0.019 0.000 0.921 281 Q HN 0.458 nan 8.270 nan 0.000 0.453 282 Q N -0.363 119.411 119.800 -0.043 0.000 2.392 282 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 282 Q C -0.426 175.428 176.000 -0.244 0.000 0.917 282 Q CA 0.288 55.982 55.803 -0.181 0.000 0.939 282 Q CB 0.320 28.882 28.738 -0.293 0.000 1.063 282 Q HN 0.479 nan 8.270 nan 0.000 0.516 283 Y N 1.183 121.480 120.300 -0.005 0.000 2.299 283 Y HA 0.262 4.812 4.550 -0.000 0.000 0.326 283 Y C 0.399 176.297 175.900 -0.003 0.000 1.164 283 Y CA -0.777 57.320 58.100 -0.005 0.000 1.234 283 Y CB 0.696 39.153 38.460 -0.005 0.000 1.219 283 Y HN -0.068 nan 8.280 nan 0.000 0.497 284 R N 1.078 121.661 120.500 0.139 0.000 1.901 284 R HA -0.182 4.158 4.340 -0.000 0.000 0.318 284 R C -0.181 176.150 176.300 0.052 0.000 1.210 284 R CA 0.426 56.573 56.100 0.079 0.000 1.206 284 R CB -0.529 29.820 30.300 0.082 0.000 3.325 284 R HN 0.879 nan 8.270 nan 0.000 0.492 285 A N 5.507 128.343 122.820 0.026 0.000 3.152 285 A HA 0.097 4.417 4.320 -0.000 0.000 0.280 285 A C 0.982 178.574 177.584 0.015 0.000 2.009 285 A CA 0.372 52.418 52.037 0.014 0.000 1.494 285 A CB -0.553 18.450 19.000 0.004 0.000 0.941 285 A HN 0.737 nan 8.150 nan 0.000 0.601 286 L N 0.355 121.591 121.223 0.021 0.000 3.746 286 L HA -0.193 4.147 4.340 -0.000 0.000 0.542 286 L C 0.559 177.435 176.870 0.010 0.000 1.268 286 L CA 0.279 55.127 54.840 0.013 0.000 0.818 286 L CB -2.466 39.598 42.059 0.008 0.000 1.472 286 L HN 0.631 nan 8.230 nan 0.000 0.843 287 T N -0.689 113.875 114.554 0.016 0.000 2.813 287 T HA 0.284 4.634 4.350 -0.000 0.000 0.297 287 T C 1.413 176.120 174.700 0.012 0.000 1.036 287 T CA -0.291 61.817 62.100 0.013 0.000 1.044 287 T CB 2.160 71.041 68.868 0.021 0.000 0.993 287 T HN 0.186 nan 8.240 nan 0.000 0.535 288 V N 2.952 122.862 119.914 -0.005 0.000 2.426 288 V HA -0.017 4.103 4.120 -0.000 0.000 0.242 288 V C -0.648 175.468 176.094 0.037 0.000 1.036 288 V CA 0.736 63.031 62.300 -0.008 0.000 1.044 288 V CB -1.243 30.532 31.823 -0.080 0.000 0.688 288 V HN 0.733 nan 8.190 nan 0.000 0.462 289 P HA -0.169 nan 4.420 nan 0.000 0.222 289 P C 1.374 178.707 177.300 0.055 0.000 1.147 289 P CA 1.444 64.570 63.100 0.043 0.000 0.790 289 P CB 0.294 32.006 31.700 0.021 0.000 0.780 290 E N 0.377 120.602 120.200 0.041 0.000 2.072 290 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 290 E C 2.098 178.727 176.600 0.047 0.000 0.985 290 E CA 1.039 57.463 56.400 0.039 0.000 0.801 290 E CB -0.983 28.736 29.700 0.031 0.000 0.750 290 E HN 0.177 nan 8.360 nan 0.000 0.452 291 L N 0.114 121.374 121.223 0.062 0.000 2.209 291 L HA -0.033 4.306 4.340 -0.000 0.000 0.207 291 L C 2.569 179.518 176.870 0.133 0.000 1.094 291 L CA 1.407 56.293 54.840 0.077 0.000 0.790 291 L CB -0.841 41.283 42.059 0.110 0.000 0.932 291 L HN 0.303 nan 8.230 nan 0.000 0.447 292 T N -2.951 111.722 114.554 0.197 0.000 2.737 292 T HA -0.259 4.091 4.350 -0.000 0.000 0.265 292 T C 1.806 176.679 174.700 0.288 0.000 1.038 292 T CA 1.203 63.485 62.100 0.304 0.000 1.144 292 T CB -0.295 68.751 68.868 0.296 0.000 0.866 292 T HN 0.087 nan 8.240 nan 0.000 0.434 293 Q N 1.549 121.458 119.800 0.182 0.000 2.096 293 Q HA -0.218 4.122 4.340 -0.000 0.000 0.208 293 Q C 2.271 178.340 176.000 0.114 0.000 0.993 293 Q CA 2.307 58.192 55.803 0.137 0.000 0.862 293 Q CB -0.564 28.215 28.738 0.068 0.000 0.915 293 Q HN 0.817 nan 8.270 nan 0.000 0.416 294 Q N -1.533 118.297 119.800 0.051 0.000 2.451 294 Q HA 0.054 4.393 4.340 -0.000 0.000 0.206 294 Q C 1.332 177.271 176.000 -0.102 0.000 0.947 294 Q CA 0.259 56.054 55.803 -0.014 0.000 0.937 294 Q CB 0.139 28.864 28.738 -0.021 0.000 1.025 294 Q HN 0.443 nan 8.270 nan 0.000 0.511 295 M N -0.941 118.566 119.600 -0.154 0.000 2.556 295 M HA 0.090 4.569 4.480 -0.000 0.000 0.245 295 M C 0.030 175.719 176.300 -1.019 0.000 1.128 295 M CA 0.708 55.706 55.300 -0.504 0.000 1.069 295 M CB 0.572 32.887 32.600 -0.475 0.000 1.469 295 M HN 0.210 nan 8.290 nan 0.000 0.494 296 F N -1.656 118.133 119.950 -0.269 0.000 2.747 296 F HA 0.191 4.718 4.527 -0.000 0.000 0.305 296 F C 0.438 176.151 175.800 -0.145 0.000 1.065 296 F CA -1.025 56.824 58.000 -0.251 0.000 1.230 296 F CB 0.007 38.944 39.000 -0.106 0.000 1.027 296 F HN -0.148 nan 8.300 nan 0.000 0.607 297 D N 1.236 121.671 120.400 0.057 0.000 2.515 297 D HA 0.012 4.652 4.640 -0.000 0.000 0.230 297 D C 1.532 177.839 176.300 0.011 0.000 1.181 297 D CA 0.802 54.821 54.000 0.031 0.000 0.875 297 D CB 0.635 41.441 40.800 0.009 0.000 1.213 297 D HN 0.196 nan 8.370 nan 0.000 0.478 298 A N 2.587 125.419 122.820 0.020 0.000 2.042 298 A HA -0.271 4.049 4.320 -0.000 0.000 0.222 298 A C 1.617 179.211 177.584 0.018 0.000 1.167 298 A CA 1.617 53.670 52.037 0.026 0.000 0.649 298 A CB -0.237 18.781 19.000 0.029 0.000 0.809 298 A HN 0.540 nan 8.150 nan 0.000 0.457 299 K N -1.543 118.862 120.400 0.009 0.000 2.358 299 K HA 0.111 4.431 4.320 -0.000 0.000 0.197 299 K C 0.985 177.589 176.600 0.006 0.000 1.025 299 K CA 0.514 56.809 56.287 0.013 0.000 1.104 299 K CB 0.084 32.592 32.500 0.012 0.000 0.855 299 K HN 0.612 nan 8.250 nan 0.000 0.531 300 N N 0.340 119.031 118.700 -0.015 0.000 2.200 300 N HA 0.094 4.834 4.740 -0.000 0.000 0.224 300 N C -0.353 175.139 175.510 -0.031 0.000 1.179 300 N CA -0.192 52.846 53.050 -0.020 0.000 0.877 300 N CB 0.498 38.960 38.487 -0.043 0.000 1.072 300 N HN -0.084 nan 8.380 nan 0.000 0.519 301 M N 1.838 121.424 119.600 -0.024 0.000 2.211 301 M HA 0.129 4.609 4.480 -0.000 0.000 0.356 301 M C 0.633 176.962 176.300 0.048 0.000 1.216 301 M CA 0.012 55.310 55.300 -0.004 0.000 1.134 301 M CB 1.018 33.628 32.600 0.017 0.000 1.564 301 M HN 0.186 nan 8.290 nan 0.000 0.463 302 M N 2.678 122.326 119.600 0.079 0.000 3.533 302 M HA 0.545 5.024 4.480 -0.000 0.000 0.217 302 M C -0.993 175.367 176.300 0.101 0.000 1.269 302 M CA -0.034 55.314 55.300 0.079 0.000 1.435 302 M CB -0.465 32.185 32.600 0.083 0.000 1.105 302 M HN 0.613 nan 8.290 nan 0.000 0.555 303 A N 0.360 123.238 122.820 0.096 0.000 2.552 303 A HA 0.874 5.194 4.320 -0.000 0.000 0.288 303 A C 0.066 177.685 177.584 0.057 0.000 1.193 303 A CA -0.134 51.962 52.037 0.097 0.000 0.713 303 A CB 0.772 19.856 19.000 0.141 0.000 1.305 303 A HN 0.574 nan 8.150 nan 0.000 0.424 304 A N -0.884 121.952 122.820 0.026 0.000 2.308 304 A HA 0.426 4.745 4.320 -0.000 0.000 0.217 304 A C 0.458 178.026 177.584 -0.026 0.000 1.216 304 A CA 0.372 52.405 52.037 -0.007 0.000 0.864 304 A CB -0.714 18.263 19.000 -0.038 0.000 0.902 304 A HN 0.774 nan 8.150 nan 0.000 0.499 305 C N 1.462 120.757 119.300 -0.008 0.000 2.388 305 C HA 0.492 4.952 4.460 -0.000 0.000 0.362 305 C C -0.672 174.335 174.990 0.028 0.000 1.266 305 C CA -0.891 58.126 59.018 -0.002 0.000 2.028 305 C CB 0.515 28.264 27.740 0.014 0.000 2.440 305 C HN 0.432 nan 8.230 nan 0.000 0.547 306 D N 4.276 124.690 120.400 0.024 0.000 2.428 306 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 306 D C -1.485 174.845 176.300 0.050 0.000 1.123 306 D CA -1.489 52.534 54.000 0.039 0.000 0.869 306 D CB 0.952 41.773 40.800 0.036 0.000 1.032 306 D HN 0.349 nan 8.370 nan 0.000 0.506 307 P HA -0.102 nan 4.420 nan 0.000 0.226 307 P C 1.481 178.775 177.300 -0.010 0.000 1.153 307 P CA 0.317 63.384 63.100 -0.055 0.000 0.777 307 P CB 0.550 32.190 31.700 -0.100 0.000 0.794 308 R N 0.135 120.689 120.500 0.090 0.000 2.133 308 R HA -0.168 4.171 4.340 -0.000 0.000 0.247 308 R C 1.374 177.860 176.300 0.311 0.000 1.151 308 R CA 1.042 57.281 56.100 0.232 0.000 0.971 308 R CB -2.135 28.259 30.300 0.157 0.000 0.866 308 R HN 0.333 nan 8.270 nan 0.000 0.447 309 H N 0.287 119.410 119.070 0.089 0.000 3.330 309 H HA 0.301 4.856 4.556 -0.000 0.000 0.260 309 H C 0.186 175.501 175.328 -0.022 0.000 1.439 309 H CA 1.046 57.111 56.048 0.028 0.000 1.540 309 H CB -0.810 28.958 29.762 0.010 0.000 1.698 309 H HN 0.384 nan 8.280 nan 0.000 0.516 310 G N 4.178 112.830 108.800 -0.246 0.000 2.260 310 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.250 310 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.250 310 G C -1.343 173.364 174.900 -0.322 0.000 1.340 310 G CA -1.046 43.834 45.100 -0.367 0.000 1.056 310 G HN 0.513 nan 8.290 nan 0.000 0.471 311 R N -0.652 119.679 120.500 -0.281 0.000 2.637 311 R HA 0.586 4.925 4.340 -0.000 0.000 0.291 311 R C -1.052 175.094 176.300 -0.257 0.000 0.963 311 R CA -0.667 55.264 56.100 -0.282 0.000 0.901 311 R CB 1.666 31.788 30.300 -0.297 0.000 1.160 311 R HN 0.477 nan 8.270 nan 0.000 0.457 312 Y N 1.716 121.847 120.300 -0.282 0.000 2.326 312 Y HA 0.201 4.751 4.550 -0.000 0.000 0.333 312 Y C 0.448 176.234 175.900 -0.190 0.000 1.240 312 Y CA -0.127 57.880 58.100 -0.154 0.000 1.365 312 Y CB 0.724 39.108 38.460 -0.127 0.000 1.289 312 Y HN 0.221 nan 8.280 nan 0.000 0.548 313 L N 3.503 124.824 121.223 0.163 0.000 2.353 313 L HA 0.437 4.777 4.340 -0.000 0.000 0.270 313 L C -0.748 176.310 176.870 0.314 0.000 1.003 313 L CA -0.736 54.195 54.840 0.152 0.000 0.862 313 L CB 0.907 43.116 42.059 0.249 0.000 1.221 313 L HN 0.952 nan 8.230 nan 0.000 0.430 314 T N 0.263 114.995 114.554 0.296 0.000 0.544 314 T HA -0.075 4.275 4.350 -0.000 0.000 0.774 314 T C -0.924 173.899 174.700 0.205 0.000 0.992 314 T CA -0.832 61.417 62.100 0.248 0.000 4.075 314 T CB -0.960 68.031 68.868 0.204 0.000 2.302 314 T HN 0.259 nan 8.240 nan 0.000 0.398 315 V N 2.618 122.603 119.914 0.119 0.000 2.488 315 V HA 0.785 4.905 4.120 -0.000 0.000 0.293 315 V C 0.610 176.577 176.094 -0.211 0.000 1.027 315 V CA -0.396 61.852 62.300 -0.088 0.000 0.862 315 V CB 1.594 33.498 31.823 0.134 0.000 1.008 315 V HN 1.683 nan 8.190 nan 0.000 0.428 316 A N 4.124 126.688 122.820 -0.427 0.000 2.253 316 A HA 0.902 5.222 4.320 -0.000 0.000 0.316 316 A C 0.238 177.525 177.584 -0.495 0.000 1.327 316 A CA -0.059 51.755 52.037 -0.371 0.000 0.917 316 A CB 0.713 19.502 19.000 -0.352 0.000 1.162 316 A HN 1.253 nan 8.150 nan 0.000 0.535 317 A N 2.290 124.888 122.820 -0.370 0.000 2.340 317 A HA 0.772 5.092 4.320 -0.000 0.000 0.331 317 A C -0.730 176.532 177.584 -0.537 0.000 1.140 317 A CA -0.503 51.260 52.037 -0.458 0.000 0.801 317 A CB 1.354 20.116 19.000 -0.396 0.000 1.234 317 A HN 1.098 nan 8.150 nan 0.000 0.469 318 V N 1.947 121.479 119.914 -0.637 0.000 2.623 318 V HA 0.594 4.714 4.120 -0.000 0.000 0.304 318 V C -1.630 174.128 176.094 -0.560 0.000 1.054 318 V CA -0.347 61.657 62.300 -0.493 0.000 0.882 318 V CB 1.193 32.886 31.823 -0.217 0.000 1.002 318 V HN 0.696 nan 8.190 nan 0.000 0.424 319 F N 3.235 123.158 119.950 -0.045 0.000 2.507 319 F HA 0.687 5.214 4.527 -0.000 0.000 0.328 319 F C 0.383 176.156 175.800 -0.045 0.000 1.136 319 F CA -1.414 56.550 58.000 -0.059 0.000 0.930 319 F CB 1.590 40.562 39.000 -0.047 0.000 1.166 319 F HN 0.570 nan 8.300 nan 0.000 0.436 320 R N 0.478 121.053 120.500 0.124 0.000 2.983 320 R HA 0.589 4.929 4.340 -0.000 0.000 0.300 320 R C 0.005 176.331 176.300 0.044 0.000 1.367 320 R CA -0.298 55.844 56.100 0.070 0.000 1.564 320 R CB 0.453 30.769 30.300 0.027 0.000 1.314 320 R HN 0.863 nan 8.270 nan 0.000 0.622 321 G N 0.846 109.675 108.800 0.049 0.000 2.848 321 G HA2 0.101 4.061 3.960 -0.000 0.000 0.213 321 G HA3 0.101 4.061 3.960 -0.000 0.000 0.213 321 G C 0.636 175.551 174.900 0.025 0.000 1.101 321 G CA -0.383 44.733 45.100 0.027 0.000 0.778 321 G HN 0.488 nan 8.290 nan 0.000 0.536 322 R N -1.603 118.912 120.500 0.024 0.000 2.331 322 R HA -0.051 4.289 4.340 -0.000 0.000 0.489 322 R C 0.304 176.606 176.300 0.003 0.000 0.678 322 R CA 0.034 56.148 56.100 0.023 0.000 1.180 322 R CB -1.848 28.470 30.300 0.030 0.000 2.018 322 R HN 0.408 nan 8.270 nan 0.000 0.370 323 M N 1.547 121.137 119.600 -0.016 0.000 2.055 323 M HA 0.294 4.774 4.480 -0.000 0.000 0.279 323 M C 0.662 176.929 176.300 -0.055 0.000 1.236 323 M CA 0.238 55.513 55.300 -0.042 0.000 1.074 323 M CB 0.829 33.386 32.600 -0.071 0.000 1.394 323 M HN 0.200 nan 8.290 nan 0.000 0.492 324 S N 2.311 117.970 115.700 -0.068 0.000 2.544 324 S HA 0.015 4.485 4.470 -0.000 0.000 0.290 324 S C 0.879 175.421 174.600 -0.098 0.000 1.276 324 S CA -0.529 57.630 58.200 -0.069 0.000 1.075 324 S CB 0.451 63.610 63.200 -0.069 0.000 0.849 324 S HN 0.748 nan 8.310 nan 0.000 0.494 325 M N 2.378 121.940 119.600 -0.063 0.000 2.460 325 M HA -0.006 4.474 4.480 -0.000 0.000 0.263 325 M C 1.657 177.916 176.300 -0.068 0.000 1.071 325 M CA 1.397 56.661 55.300 -0.061 0.000 1.096 325 M CB -1.258 31.325 32.600 -0.028 0.000 1.408 325 M HN 0.755 nan 8.290 nan 0.000 0.463 326 K N -0.303 120.058 120.400 -0.065 0.000 2.166 326 K HA -0.095 4.225 4.320 -0.000 0.000 0.201 326 K C 1.948 178.497 176.600 -0.085 0.000 1.052 326 K CA 0.688 56.938 56.287 -0.061 0.000 0.969 326 K CB 0.080 32.553 32.500 -0.045 0.000 0.761 326 K HN 0.081 nan 8.250 nan 0.000 0.459 327 E N 1.179 121.315 120.200 -0.106 0.000 2.072 327 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 327 E C 1.796 178.277 176.600 -0.198 0.000 0.985 327 E CA 1.016 57.340 56.400 -0.126 0.000 0.801 327 E CB 0.010 29.640 29.700 -0.118 0.000 0.750 327 E HN -0.032 nan 8.360 nan 0.000 0.452 328 V N 1.308 121.031 119.914 -0.319 0.000 2.307 328 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 328 V C 1.575 177.477 176.094 -0.321 0.000 1.045 328 V CA 2.099 64.038 62.300 -0.601 0.000 1.024 328 V CB -0.569 30.637 31.823 -1.029 0.000 0.651 328 V HN 0.250 nan 8.190 nan 0.000 0.449 329 D N -0.058 120.241 120.400 -0.169 0.000 2.183 329 D HA -0.119 4.520 4.640 -0.000 0.000 0.203 329 D C 2.181 178.452 176.300 -0.047 0.000 0.969 329 D CA 0.967 54.933 54.000 -0.056 0.000 0.842 329 D CB -0.191 40.589 40.800 -0.035 0.000 0.957 329 D HN 0.545 nan 8.370 nan 0.000 0.484 330 E N 0.167 120.328 120.200 -0.065 0.000 2.204 330 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 330 E C 1.943 178.516 176.600 -0.046 0.000 0.989 330 E CA 0.628 56.997 56.400 -0.051 0.000 0.824 330 E CB 0.127 29.795 29.700 -0.053 0.000 0.756 330 E HN 0.243 nan 8.360 nan 0.000 0.477 331 Q N -0.191 119.575 119.800 -0.055 0.000 2.165 331 Q HA 0.041 4.380 4.340 -0.000 0.000 0.197 331 Q C 2.116 178.124 176.000 0.014 0.000 0.952 331 Q CA 0.646 56.432 55.803 -0.027 0.000 0.848 331 Q CB -0.089 28.627 28.738 -0.037 0.000 0.931 331 Q HN 0.305 nan 8.270 nan 0.000 0.470 332 M N 0.709 120.342 119.600 0.056 0.000 2.426 332 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 332 M C 2.045 178.334 176.300 -0.018 0.000 1.068 332 M CA 0.818 56.189 55.300 0.117 0.000 1.066 332 M CB -1.007 31.714 32.600 0.202 0.000 1.399 332 M HN 0.139 nan 8.290 nan 0.000 0.449 333 L N 1.310 122.504 121.223 -0.048 0.000 2.056 333 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 333 L C 1.939 178.732 176.870 -0.128 0.000 1.078 333 L CA 1.756 56.540 54.840 -0.092 0.000 0.749 333 L CB -0.794 41.226 42.059 -0.065 0.000 0.901 333 L HN 0.270 nan 8.230 nan 0.000 0.433 334 N N -0.550 118.088 118.700 -0.103 0.000 2.289 334 N HA -0.138 4.602 4.740 -0.000 0.000 0.184 334 N C 1.835 177.240 175.510 -0.174 0.000 1.016 334 N CA 1.571 54.557 53.050 -0.107 0.000 0.872 334 N CB -0.261 38.184 38.487 -0.070 0.000 0.973 334 N HN 0.307 nan 8.380 nan 0.000 0.433 335 V N 1.635 121.397 119.914 -0.253 0.000 2.358 335 V HA -0.189 3.930 4.120 -0.000 0.000 0.246 335 V C 2.122 177.954 176.094 -0.437 0.000 1.047 335 V CA 1.485 63.491 62.300 -0.491 0.000 1.035 335 V CB -0.476 30.809 31.823 -0.896 0.000 0.658 335 V HN 0.316 nan 8.190 nan 0.000 0.452 336 Q N -0.136 119.424 119.800 -0.401 0.000 2.435 336 Q HA -0.032 4.308 4.340 -0.000 0.000 0.207 336 Q C 1.566 177.419 176.000 -0.245 0.000 0.956 336 Q CA 0.751 56.256 55.803 -0.497 0.000 0.917 336 Q CB -0.036 28.419 28.738 -0.471 0.000 0.997 336 Q HN 0.665 nan 8.270 nan 0.000 0.497 337 N N 0.284 118.895 118.700 -0.149 0.000 2.348 337 N HA 0.036 4.775 4.740 -0.000 0.000 0.183 337 N C 0.059 175.560 175.510 -0.015 0.000 1.094 337 N CA 0.377 53.388 53.050 -0.064 0.000 0.885 337 N CB 0.548 38.997 38.487 -0.064 0.000 1.065 337 N HN 0.072 nan 8.380 nan 0.000 0.472 338 K N 1.667 122.053 120.400 -0.025 0.000 3.127 338 K HA 0.289 4.609 4.320 -0.000 0.000 0.236 338 K C -0.118 176.519 176.600 0.062 0.000 1.271 338 K CA -0.038 56.259 56.287 0.015 0.000 1.224 338 K CB 0.174 32.659 32.500 -0.026 0.000 1.482 338 K HN 0.054 nan 8.250 nan 0.000 0.435 339 N N -0.473 118.346 118.700 0.198 0.000 1.961 339 N HA -0.084 4.656 4.740 -0.000 0.000 0.219 339 N C 0.925 176.855 175.510 0.700 0.000 1.432 339 N CA 0.268 53.609 53.050 0.485 0.000 0.747 339 N CB 0.445 39.140 38.487 0.346 0.000 1.121 339 N HN 0.199 nan 8.380 nan 0.000 0.575 340 S N 1.677 117.598 115.700 0.368 0.000 2.444 340 S HA -0.252 4.217 4.470 -0.000 0.000 0.225 340 S C 2.126 176.815 174.600 0.148 0.000 1.042 340 S CA 2.194 60.542 58.200 0.247 0.000 1.132 340 S CB -1.072 62.194 63.200 0.111 0.000 1.099 340 S HN 0.348 nan 8.310 nan 0.000 0.417 341 S N 0.901 116.630 115.700 0.048 0.000 2.478 341 S HA -0.201 4.269 4.470 -0.000 0.000 0.256 341 S C 1.136 175.520 174.600 -0.359 0.000 1.003 341 S CA 1.441 59.519 58.200 -0.203 0.000 0.976 341 S CB -1.135 61.846 63.200 -0.366 0.000 0.751 341 S HN 0.730 nan 8.310 nan 0.000 0.513 342 Y N 0.210 120.540 120.300 0.051 0.000 2.493 342 Y HA 0.544 5.094 4.550 -0.000 0.000 0.275 342 Y C -0.183 175.316 175.900 -0.668 0.000 1.183 342 Y CA -0.949 57.058 58.100 -0.155 0.000 1.258 342 Y CB 0.065 38.537 38.460 0.021 0.000 1.108 342 Y HN 0.200 nan 8.280 nan 0.000 0.521 343 F N -1.874 118.126 119.950 0.083 0.000 2.607 343 F HA 0.284 4.811 4.527 -0.000 0.000 0.322 343 F C 0.319 176.047 175.800 -0.119 0.000 1.176 343 F CA -1.480 56.528 58.000 0.014 0.000 0.977 343 F CB 1.426 40.456 39.000 0.050 0.000 1.242 343 F HN -0.426 nan 8.300 nan 0.000 0.465 344 V N 3.002 122.858 119.914 -0.098 0.000 3.335 344 V HA -0.224 3.896 4.120 -0.000 0.000 0.271 344 V C 1.422 177.196 176.094 -0.534 0.000 1.254 344 V CA 1.266 63.285 62.300 -0.468 0.000 1.244 344 V CB -2.035 29.273 31.823 -0.858 0.000 1.027 344 V HN 0.886 nan 8.190 nan 0.000 0.541 345 E N -0.183 119.842 120.200 -0.292 0.000 2.691 345 E HA -0.270 4.080 4.350 -0.000 0.000 0.273 345 E C 0.864 177.462 176.600 -0.003 0.000 1.258 345 E CA 1.973 58.314 56.400 -0.100 0.000 1.072 345 E CB -0.223 29.441 29.700 -0.060 0.000 0.873 345 E HN 0.965 nan 8.360 nan 0.000 0.400 346 W N 0.072 121.388 121.300 0.026 0.000 2.359 346 W HA 0.585 5.245 4.660 -0.000 0.000 0.344 346 W C 0.149 176.701 176.519 0.055 0.000 1.170 346 W CA -1.030 56.326 57.345 0.018 0.000 1.296 346 W CB 0.496 29.946 29.460 -0.016 0.000 1.197 346 W HN -0.102 nan 8.180 nan 0.000 0.618 347 I N 1.320 122.205 120.570 0.524 0.000 7.121 347 I HA -0.193 3.977 4.170 -0.000 0.000 0.127 347 I C -2.837 173.394 176.117 0.189 0.000 1.835 347 I CA -0.510 61.020 61.300 0.384 0.000 2.037 347 I CB -0.584 37.631 38.000 0.358 0.000 3.599 347 I HN 0.205 nan 8.210 nan 0.000 0.169 348 P HA 0.553 nan 4.420 nan 0.000 0.309 348 P C -1.171 176.173 177.300 0.074 0.000 1.452 348 P CA -0.595 62.556 63.100 0.086 0.000 1.053 348 P CB 1.795 33.532 31.700 0.062 0.000 1.167 349 N N 1.820 120.552 118.700 0.053 0.000 2.552 349 N HA -0.132 4.608 4.740 -0.000 0.000 0.276 349 N C 0.178 175.730 175.510 0.071 0.000 1.526 349 N CA 0.179 53.250 53.050 0.035 0.000 1.048 349 N CB -1.441 37.062 38.487 0.026 0.000 0.866 349 N HN 0.424 nan 8.380 nan 0.000 0.477 350 N N 0.367 119.098 118.700 0.052 0.000 2.373 350 N HA 0.158 4.898 4.740 -0.000 0.000 0.181 350 N C -0.602 174.991 175.510 0.138 0.000 1.082 350 N CA 0.639 53.777 53.050 0.148 0.000 0.885 350 N CB 0.646 39.233 38.487 0.165 0.000 0.977 350 N HN 0.316 nan 8.380 nan 0.000 0.462 351 V N 1.258 121.195 119.914 0.039 0.000 2.569 351 V HA 0.275 4.395 4.120 -0.000 0.000 0.301 351 V C -0.176 175.940 176.094 0.036 0.000 1.044 351 V CA -1.081 61.250 62.300 0.051 0.000 0.874 351 V CB 2.350 34.203 31.823 0.050 0.000 1.002 351 V HN -0.068 nan 8.190 nan 0.000 0.424 352 K N 2.707 123.116 120.400 0.016 0.000 2.110 352 K HA 0.733 5.053 4.320 -0.000 0.000 0.263 352 K C -0.810 175.800 176.600 0.018 0.000 0.975 352 K CA -0.227 56.065 56.287 0.008 0.000 0.895 352 K CB 1.653 34.137 32.500 -0.027 0.000 1.060 352 K HN 0.710 nan 8.250 nan 0.000 0.448 353 T N 1.664 116.260 114.554 0.069 0.000 2.881 353 T HA 0.566 4.916 4.350 -0.000 0.000 0.290 353 T C -1.397 173.383 174.700 0.134 0.000 1.000 353 T CA -0.670 61.527 62.100 0.162 0.000 0.978 353 T CB 1.615 70.695 68.868 0.354 0.000 0.997 353 T HN 0.673 nan 8.240 nan 0.000 0.443 354 A N 2.588 125.473 122.820 0.108 0.000 2.350 354 A HA 0.889 5.209 4.320 -0.000 0.000 0.324 354 A C -0.889 176.795 177.584 0.165 0.000 1.118 354 A CA -0.653 51.439 52.037 0.092 0.000 0.783 354 A CB 1.220 20.231 19.000 0.018 0.000 1.236 354 A HN 0.667 nan 8.150 nan 0.000 0.457 355 V N 1.082 121.078 119.914 0.136 0.000 2.588 355 V HA 0.444 4.564 4.120 -0.000 0.000 0.304 355 V C -0.178 175.967 176.094 0.086 0.000 1.042 355 V CA -0.547 61.837 62.300 0.139 0.000 0.877 355 V CB 1.254 33.149 31.823 0.120 0.000 0.996 355 V HN 1.122 nan 8.190 nan 0.000 0.425 356 C N 2.056 121.405 119.300 0.082 0.000 2.656 356 C HA 0.584 5.044 4.460 -0.000 0.000 0.404 356 C C 0.622 175.666 174.990 0.090 0.000 1.423 356 C CA -0.422 58.644 59.018 0.079 0.000 1.784 356 C CB 1.701 29.485 27.740 0.073 0.000 2.093 356 C HN 0.928 nan 8.230 nan 0.000 0.492 357 D N 0.003 120.473 120.400 0.117 0.000 2.540 357 D HA 0.364 5.003 4.640 -0.000 0.000 0.229 357 D C -0.578 175.810 176.300 0.146 0.000 1.250 357 D CA 0.491 54.562 54.000 0.118 0.000 0.817 357 D CB 0.330 41.200 40.800 0.116 0.000 1.060 357 D HN 0.392 nan 8.370 nan 0.000 0.508 358 I N 2.137 122.792 120.570 0.141 0.000 2.534 358 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 358 I C -2.692 173.443 176.117 0.031 0.000 1.094 358 I CA -1.934 59.441 61.300 0.124 0.000 1.055 358 I CB 3.432 41.560 38.000 0.213 0.000 1.225 358 I HN -0.353 nan 8.210 nan 0.000 0.435 359 P HA 0.387 nan 4.420 nan 0.000 0.290 359 P C -2.584 174.713 177.300 -0.005 0.000 1.276 359 P CA -1.773 61.332 63.100 0.008 0.000 0.808 359 P CB 0.566 32.279 31.700 0.021 0.000 0.966 370 G N 2.770 111.589 108.800 0.031 0.000 2.143 370 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.248 370 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.248 370 G C 0.207 175.134 174.900 0.045 0.000 0.991 370 G CA 0.449 45.571 45.100 0.037 0.000 0.689 370 G HN 0.466 nan 8.290 nan 0.000 0.522 371 L N -0.995 120.262 121.223 0.056 0.000 2.354 371 L HA 0.385 4.725 4.340 -0.000 0.000 0.212 371 L C 2.134 179.027 176.870 0.038 0.000 1.091 371 L CA 2.293 57.169 54.840 0.061 0.000 0.828 371 L CB -0.077 42.040 42.059 0.098 0.000 0.973 371 L HN 0.216 nan 8.230 nan 0.000 0.461 372 K N -1.321 119.099 120.400 0.033 0.000 4.018 372 K HA -0.265 4.055 4.320 -0.000 0.000 0.416 372 K C 0.450 177.061 176.600 0.018 0.000 0.464 372 K CA 2.187 58.488 56.287 0.025 0.000 1.816 372 K CB -1.441 31.072 32.500 0.021 0.000 0.928 372 K HN 0.438 nan 8.250 nan 0.000 0.497 373 M N 0.994 120.599 119.600 0.008 0.000 2.371 373 M HA 0.280 4.760 4.480 -0.000 0.000 0.287 373 M C -1.174 175.100 176.300 -0.042 0.000 1.149 373 M CA -0.287 55.011 55.300 -0.004 0.000 0.929 373 M CB 2.319 34.919 32.600 0.000 0.000 1.683 373 M HN 0.269 nan 8.290 nan 0.000 0.470 374 S N 2.908 118.569 115.700 -0.065 0.000 2.638 374 S HA 1.011 5.481 4.470 -0.000 0.000 0.302 374 S C -1.023 173.471 174.600 -0.176 0.000 1.096 374 S CA -0.617 57.459 58.200 -0.206 0.000 0.953 374 S CB 2.250 65.349 63.200 -0.168 0.000 1.107 374 S HN 0.998 nan 8.310 nan 0.000 0.503 375 A N 1.259 123.853 122.820 -0.377 0.000 2.466 375 A HA 0.698 5.018 4.320 -0.000 0.000 0.284 375 A C -0.486 176.870 177.584 -0.380 0.000 1.049 375 A CA -0.609 51.251 52.037 -0.295 0.000 0.760 375 A CB 1.149 20.041 19.000 -0.181 0.000 1.274 375 A HN 0.760 nan 8.150 nan 0.000 0.412 376 T N 1.679 116.056 114.554 -0.295 0.000 2.885 376 T HA 0.749 5.099 4.350 -0.000 0.000 0.285 376 T C -1.186 173.432 174.700 -0.136 0.000 1.019 376 T CA -0.209 61.806 62.100 -0.142 0.000 1.010 376 T CB 1.124 69.947 68.868 -0.076 0.000 1.022 376 T HN 0.707 nan 8.240 nan 0.000 0.466 377 F N 3.009 122.845 119.950 -0.189 0.000 2.578 377 F HA 0.748 5.275 4.527 -0.000 0.000 0.311 377 F C -1.896 173.851 175.800 -0.088 0.000 1.094 377 F CA -1.116 56.754 58.000 -0.217 0.000 0.923 377 F CB 1.021 39.855 39.000 -0.276 0.000 1.230 377 F HN 0.302 nan 8.300 nan 0.000 0.450 378 I N 2.978 122.982 120.570 -0.944 0.000 3.074 378 I HA 0.890 5.060 4.170 -0.000 0.000 0.310 378 I C -0.079 175.438 176.117 -0.999 0.000 1.153 378 I CA -0.783 60.137 61.300 -0.634 0.000 0.993 378 I CB 1.546 39.276 38.000 -0.451 0.000 1.237 378 I HN 0.815 nan 8.210 nan 0.000 0.443 379 G N 2.814 111.493 108.800 -0.202 0.000 2.358 379 G HA2 0.254 4.214 3.960 -0.000 0.000 0.301 379 G HA3 0.254 4.214 3.960 -0.000 0.000 0.301 379 G C -2.038 173.277 174.900 0.691 0.000 1.539 379 G CA -0.779 44.420 45.100 0.165 0.000 0.893 379 G HN 0.445 nan 8.290 nan 0.000 0.636 380 N N 0.466 119.574 118.700 0.681 0.000 2.448 380 N HA 0.662 5.402 4.740 -0.000 0.000 0.279 380 N C 0.084 175.859 175.510 0.442 0.000 1.025 380 N CA -0.203 53.200 53.050 0.589 0.000 0.898 380 N CB 1.979 40.806 38.487 0.565 0.000 1.303 380 N HN 0.863 nan 8.380 nan 0.000 0.495 381 S N 0.084 115.962 115.700 0.298 0.000 2.768 381 S HA 0.397 4.867 4.470 -0.000 0.000 0.300 381 S C 1.010 175.616 174.600 0.010 0.000 1.122 381 S CA -0.413 57.796 58.200 0.016 0.000 0.995 381 S CB 1.025 63.974 63.200 -0.417 0.000 1.195 381 S HN 0.328 nan 8.310 nan 0.000 0.547 382 T N 1.097 115.604 114.554 -0.079 0.000 3.035 382 T HA 0.089 4.439 4.350 -0.000 0.000 0.268 382 T C 1.929 176.692 174.700 0.105 0.000 1.109 382 T CA 1.026 63.101 62.100 -0.041 0.000 1.119 382 T CB -0.769 68.045 68.868 -0.090 0.000 0.900 382 T HN 0.752 nan 8.240 nan 0.000 0.503 383 A N 1.616 124.483 122.820 0.078 0.000 1.972 383 A HA -0.024 4.296 4.320 -0.000 0.000 0.219 383 A C 2.088 179.782 177.584 0.183 0.000 1.169 383 A CA 0.903 53.028 52.037 0.146 0.000 0.635 383 A CB -0.511 18.515 19.000 0.043 0.000 0.810 383 A HN 0.406 nan 8.150 nan 0.000 0.446 384 I N 0.014 120.737 120.570 0.256 0.000 2.493 384 I HA -0.209 3.960 4.170 -0.000 0.000 0.254 384 I C 2.298 178.568 176.117 0.255 0.000 1.160 384 I CA 1.332 62.767 61.300 0.225 0.000 1.445 384 I CB -1.344 36.863 38.000 0.345 0.000 1.086 384 I HN 0.562 nan 8.210 nan 0.000 0.433 385 Q N 0.982 120.979 119.800 0.329 0.000 2.540 385 Q HA -0.247 4.093 4.340 -0.000 0.000 0.218 385 Q C 1.538 177.620 176.000 0.137 0.000 0.990 385 Q CA 1.410 57.349 55.803 0.226 0.000 0.908 385 Q CB 0.227 29.088 28.738 0.205 0.000 0.937 385 Q HN 0.598 nan 8.270 nan 0.000 0.499 386 E N -0.310 119.948 120.200 0.097 0.000 2.034 386 E HA -0.105 4.244 4.350 -0.000 0.000 0.192 386 E C 1.686 178.216 176.600 -0.117 0.000 0.963 386 E CA 0.398 56.787 56.400 -0.018 0.000 0.831 386 E CB -0.231 29.443 29.700 -0.043 0.000 0.801 386 E HN 0.220 nan 8.360 nan 0.000 0.463 387 L N 0.624 121.684 121.223 -0.272 0.000 2.468 387 L HA -0.204 4.136 4.340 -0.000 0.000 0.225 387 L C 1.077 177.480 176.870 -0.778 0.000 1.139 387 L CA 1.613 56.102 54.840 -0.584 0.000 0.792 387 L CB -0.160 41.401 42.059 -0.831 0.000 0.916 387 L HN 0.111 nan 8.230 nan 0.000 0.446 388 F N -2.073 117.780 119.950 -0.163 0.000 2.667 388 F HA 0.176 4.703 4.527 -0.000 0.000 0.288 388 F C 1.864 177.591 175.800 -0.121 0.000 1.086 388 F CA -0.169 57.722 58.000 -0.182 0.000 1.297 388 F CB -0.217 38.624 39.000 -0.266 0.000 1.059 388 F HN -0.237 nan 8.300 nan 0.000 0.624 389 K N 1.107 121.557 120.400 0.083 0.000 2.664 389 K HA -0.090 4.230 4.320 -0.000 0.000 0.193 389 K C 1.876 178.480 176.600 0.007 0.000 1.028 389 K CA 0.428 56.736 56.287 0.035 0.000 1.005 389 K CB 0.072 32.589 32.500 0.028 0.000 0.815 389 K HN 0.256 nan 8.250 nan 0.000 0.496 390 R N 0.517 121.010 120.500 -0.011 0.000 2.194 390 R HA 0.127 4.467 4.340 -0.000 0.000 0.194 390 R C 1.702 178.000 176.300 -0.002 0.000 0.985 390 R CA 0.254 56.337 56.100 -0.028 0.000 1.104 390 R CB 0.225 30.482 30.300 -0.071 0.000 1.092 390 R HN 0.090 nan 8.270 nan 0.000 0.555 391 I N 1.965 122.535 120.570 0.000 0.000 3.059 391 I HA -0.109 4.061 4.170 -0.000 0.000 0.270 391 I C 2.056 178.240 176.117 0.113 0.000 1.238 391 I CA 0.965 62.291 61.300 0.043 0.000 1.478 391 I CB 0.177 38.182 38.000 0.009 0.000 1.097 391 I HN 0.245 nan 8.210 nan 0.000 0.455 392 S N -0.035 115.720 115.700 0.091 0.000 2.421 392 S HA -0.015 4.454 4.470 -0.000 0.000 0.224 392 S C 1.779 176.463 174.600 0.139 0.000 1.035 392 S CA 0.181 58.450 58.200 0.116 0.000 0.953 392 S CB -0.175 63.051 63.200 0.044 0.000 0.810 392 S HN 0.269 nan 8.310 nan 0.000 0.497 393 E N 1.660 121.911 120.200 0.085 0.000 2.160 393 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 393 E C 2.194 178.845 176.600 0.084 0.000 0.991 393 E CA 1.027 57.469 56.400 0.069 0.000 0.810 393 E CB -0.309 29.412 29.700 0.035 0.000 0.742 393 E HN 0.597 nan 8.360 nan 0.000 0.466 394 Q N -0.310 119.553 119.800 0.106 0.000 2.016 394 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 394 Q C 2.164 178.276 176.000 0.186 0.000 0.978 394 Q CA 0.804 56.678 55.803 0.118 0.000 0.833 394 Q CB -0.682 28.127 28.738 0.117 0.000 0.895 394 Q HN 0.300 nan 8.270 nan 0.000 0.427 395 F N 1.843 121.851 119.950 0.098 0.000 2.075 395 F HA -0.201 4.325 4.527 -0.000 0.000 0.297 395 F C 2.309 178.192 175.800 0.139 0.000 1.113 395 F CA 1.787 59.878 58.000 0.152 0.000 1.218 395 F CB -0.288 38.767 39.000 0.091 0.000 0.984 395 F HN 0.031 nan 8.300 nan 0.000 0.472 396 T N 0.091 114.801 114.554 0.261 0.000 2.759 396 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 396 T C 1.959 176.680 174.700 0.035 0.000 1.042 396 T CA 1.394 63.580 62.100 0.144 0.000 1.140 396 T CB -0.644 68.308 68.868 0.140 0.000 0.864 396 T HN 0.350 nan 8.240 nan 0.000 0.455 397 A N -0.305 122.534 122.820 0.031 0.000 2.178 397 A HA 0.434 4.754 4.320 -0.000 0.000 0.211 397 A C 1.748 179.310 177.584 -0.036 0.000 1.157 397 A CA 0.252 52.289 52.037 -0.001 0.000 0.780 397 A CB -0.273 18.730 19.000 0.006 0.000 0.828 397 A HN 0.497 nan 8.150 nan 0.000 0.476 398 M N -2.369 117.201 119.600 -0.050 0.000 2.291 398 M HA 0.347 4.827 4.480 -0.000 0.000 0.209 398 M C 1.336 177.562 176.300 -0.123 0.000 1.513 398 M CA 0.158 55.404 55.300 -0.090 0.000 1.855 398 M CB -0.127 32.463 32.600 -0.017 0.000 1.094 398 M HN 0.179 nan 8.290 nan 0.000 0.893 399 F N 1.013 120.813 119.950 -0.249 0.000 2.045 399 F HA -0.305 4.222 4.527 -0.000 0.000 0.297 399 F C 2.854 178.436 175.800 -0.363 0.000 1.114 399 F CA 2.635 60.496 58.000 -0.231 0.000 1.207 399 F CB -0.564 38.286 39.000 -0.249 0.000 0.964 399 F HN 0.386 nan 8.300 nan 0.000 0.486 400 R N 0.108 120.370 120.500 -0.397 0.000 2.119 400 R HA -0.089 4.251 4.340 -0.000 0.000 0.222 400 R C 1.920 178.156 176.300 -0.106 0.000 1.088 400 R CA 0.426 56.386 56.100 -0.233 0.000 0.984 400 R CB -0.086 30.119 30.300 -0.159 0.000 0.884 400 R HN 0.006 nan 8.270 nan 0.000 0.447 401 R N 1.485 121.934 120.500 -0.085 0.000 2.455 401 R HA -0.233 4.107 4.340 -0.000 0.000 0.574 401 R C 0.221 176.493 176.300 -0.045 0.000 0.403 401 R CA 2.284 58.353 56.100 -0.051 0.000 2.107 401 R CB -0.235 30.029 30.300 -0.060 0.000 0.523 401 R HN 0.095 nan 8.270 nan 0.000 0.717 402 K N 0.645 121.019 120.400 -0.044 0.000 2.745 402 K HA 0.304 4.624 4.320 -0.000 0.000 0.223 402 K C -0.194 176.380 176.600 -0.044 0.000 1.057 402 K CA 0.191 56.459 56.287 -0.033 0.000 1.217 402 K CB 0.036 32.523 32.500 -0.022 0.000 0.993 402 K HN 0.525 nan 8.250 nan 0.000 0.478 403 A N 1.119 123.891 122.820 -0.080 0.000 2.632 403 A HA -0.136 4.184 4.320 -0.000 0.000 0.231 403 A C -0.230 177.245 177.584 -0.181 0.000 1.027 403 A CA 0.606 52.557 52.037 -0.143 0.000 0.759 403 A CB -0.191 18.695 19.000 -0.191 0.000 0.939 403 A HN 0.504 nan 8.150 nan 0.000 0.505 404 F N 3.097 122.834 119.950 -0.356 0.000 2.449 404 F HA 0.508 5.034 4.527 -0.000 0.000 0.329 404 F C 0.043 175.648 175.800 -0.325 0.000 1.245 404 F CA -0.536 57.195 58.000 -0.449 0.000 1.193 404 F CB 0.875 39.464 39.000 -0.685 0.000 1.425 404 F HN 0.384 nan 8.300 nan 0.000 0.544 405 L N 2.736 123.656 121.223 -0.506 0.000 3.524 405 L HA 0.291 4.631 4.340 -0.000 0.000 0.337 405 L C 0.470 177.249 176.870 -0.151 0.000 1.330 405 L CA 0.328 55.096 54.840 -0.120 0.000 0.966 405 L CB -0.873 41.187 42.059 0.000 0.000 1.395 405 L HN 0.436 nan 8.230 nan 0.000 0.616 406 H N -2.073 116.957 119.070 -0.068 0.000 2.457 406 H HA -0.107 4.449 4.556 -0.000 0.000 0.294 406 H C 0.882 176.032 175.328 -0.297 0.000 1.064 406 H CA 1.993 57.971 56.048 -0.117 0.000 1.330 406 H CB 0.186 29.894 29.762 -0.090 0.000 1.395 406 H HN 0.491 nan 8.280 nan 0.000 0.541 407 W N -0.170 121.018 121.300 -0.186 0.000 2.409 407 W HA -0.108 4.552 4.660 -0.000 0.000 0.299 407 W C 1.572 178.104 176.519 0.022 0.000 1.203 407 W CA 0.662 57.916 57.345 -0.153 0.000 1.298 407 W CB -0.545 28.723 29.460 -0.320 0.000 1.127 407 W HN 0.186 nan 8.180 nan 0.000 0.528 408 Y N -0.371 120.115 120.300 0.309 0.000 2.337 408 Y HA -0.068 4.482 4.550 -0.000 0.000 0.293 408 Y C 2.446 178.441 175.900 0.160 0.000 1.123 408 Y CA 1.124 59.393 58.100 0.282 0.000 1.201 408 Y CB -1.565 37.192 38.460 0.494 0.000 1.011 408 Y HN -0.208 nan 8.280 nan 0.000 0.545 409 T N -0.592 114.120 114.554 0.263 0.000 2.946 409 T HA -0.146 4.204 4.350 -0.000 0.000 0.271 409 T C 2.110 176.841 174.700 0.051 0.000 1.104 409 T CA 1.406 63.599 62.100 0.156 0.000 1.114 409 T CB -0.596 68.386 68.868 0.190 0.000 0.867 409 T HN 0.588 nan 8.240 nan 0.000 0.513 410 G N 0.477 109.271 108.800 -0.010 0.000 2.744 410 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.211 410 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.211 410 G C 1.471 176.358 174.900 -0.022 0.000 1.146 410 G CA -0.104 44.960 45.100 -0.061 0.000 0.787 410 G HN 0.340 nan 8.290 nan 0.000 0.534 411 E N 0.466 120.683 120.200 0.029 0.000 2.170 411 E HA 0.116 4.466 4.350 -0.000 0.000 0.191 411 E C 1.231 177.827 176.600 -0.007 0.000 0.981 411 E CA 0.875 57.299 56.400 0.040 0.000 0.830 411 E CB 0.429 30.201 29.700 0.119 0.000 0.775 411 E HN 0.335 nan 8.360 nan 0.000 0.470 412 G N 1.071 109.821 108.800 -0.084 0.000 3.265 412 G HA2 0.204 4.164 3.960 -0.000 0.000 0.236 412 G HA3 0.204 4.164 3.960 -0.000 0.000 0.236 412 G C -0.641 174.083 174.900 -0.293 0.000 3.888 412 G CA -0.704 44.323 45.100 -0.121 0.000 0.423 412 G HN -0.098 nan 8.290 nan 0.000 0.303 413 M N 1.649 121.145 119.600 -0.173 0.000 2.213 413 M HA 0.414 4.894 4.480 -0.000 0.000 0.286 413 M C -1.740 174.658 176.300 0.163 0.000 1.008 413 M CA -0.712 54.557 55.300 -0.053 0.000 0.937 413 M CB 2.535 35.117 32.600 -0.029 0.000 1.600 413 M HN 0.151 nan 8.290 nan 0.000 0.450 414 D N 2.079 122.562 120.400 0.138 0.000 2.505 414 D HA 0.291 4.930 4.640 -0.000 0.000 0.249 414 D C 0.456 176.844 176.300 0.146 0.000 1.082 414 D CA -0.367 53.707 54.000 0.123 0.000 0.839 414 D CB 1.712 42.553 40.800 0.069 0.000 1.317 414 D HN 0.561 nan 8.370 nan 0.000 0.497 415 E N 0.155 120.432 120.200 0.129 0.000 2.781 415 E HA -0.283 4.067 4.350 -0.000 0.000 0.294 415 E C 0.261 177.023 176.600 0.270 0.000 1.316 415 E CA 1.460 57.941 56.400 0.136 0.000 1.090 415 E CB -0.442 29.309 29.700 0.086 0.000 0.874 415 E HN 0.399 nan 8.360 nan 0.000 0.356 416 M N 0.127 119.877 119.600 0.250 0.000 2.250 416 M HA 0.126 4.606 4.480 -0.000 0.000 0.344 416 M C 0.690 177.141 176.300 0.252 0.000 1.150 416 M CA 0.171 55.601 55.300 0.217 0.000 1.147 416 M CB 0.931 33.617 32.600 0.143 0.000 1.498 416 M HN -0.008 nan 8.290 nan 0.000 0.461 417 E N 0.381 120.640 120.200 0.098 0.000 4.157 417 E HA -0.225 4.125 4.350 -0.000 0.000 0.351 417 E C 0.057 176.408 176.600 -0.414 0.000 0.691 417 E CA 1.024 57.327 56.400 -0.161 0.000 1.380 417 E CB -1.903 27.722 29.700 -0.125 0.000 1.727 417 E HN 0.733 nan 8.360 nan 0.000 0.402 418 F N -0.878 119.108 119.950 0.060 0.000 2.423 418 F HA 0.120 4.647 4.527 -0.000 0.000 0.269 418 F C 2.512 178.442 175.800 0.218 0.000 0.880 418 F CA 0.944 59.118 58.000 0.290 0.000 1.134 418 F CB -0.520 38.691 39.000 0.350 0.000 1.143 418 F HN -0.127 nan 8.300 nan 0.000 0.802 419 T N 0.046 114.817 114.554 0.361 0.000 2.821 419 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 419 T C 1.572 176.314 174.700 0.071 0.000 1.046 419 T CA 1.549 63.780 62.100 0.218 0.000 1.139 419 T CB -0.286 68.684 68.868 0.170 0.000 0.871 419 T HN 0.226 nan 8.240 nan 0.000 0.454 420 E N 0.995 121.212 120.200 0.028 0.000 2.208 420 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 420 E C 2.379 178.896 176.600 -0.138 0.000 0.988 420 E CA 0.722 57.097 56.400 -0.041 0.000 0.828 420 E CB -0.086 29.598 29.700 -0.028 0.000 0.763 420 E HN 0.452 nan 8.360 nan 0.000 0.478 421 A N 1.145 123.825 122.820 -0.233 0.000 2.067 421 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 421 A C 1.969 179.274 177.584 -0.464 0.000 1.156 421 A CA 0.902 52.700 52.037 -0.399 0.000 0.683 421 A CB -0.119 18.533 19.000 -0.580 0.000 0.808 421 A HN 0.184 nan 8.150 nan 0.000 0.455 422 E N 0.380 120.327 120.200 -0.421 0.000 2.122 422 E HA -0.117 4.233 4.350 -0.000 0.000 0.190 422 E C 2.102 178.598 176.600 -0.174 0.000 0.977 422 E CA 1.188 57.381 56.400 -0.346 0.000 0.820 422 E CB -0.010 29.621 29.700 -0.114 0.000 0.770 422 E HN 0.685 nan 8.360 nan 0.000 0.462 423 S N 0.006 115.636 115.700 -0.117 0.000 2.414 423 S HA -0.108 4.361 4.470 -0.000 0.000 0.227 423 S C 1.797 176.331 174.600 -0.109 0.000 1.022 423 S CA 1.132 59.285 58.200 -0.079 0.000 0.958 423 S CB -0.435 62.742 63.200 -0.039 0.000 0.797 423 S HN 0.346 nan 8.310 nan 0.000 0.493 424 N N 0.375 118.990 118.700 -0.140 0.000 2.290 424 N HA 0.090 4.830 4.740 -0.000 0.000 0.179 424 N C 1.961 177.353 175.510 -0.196 0.000 1.016 424 N CA 0.713 53.674 53.050 -0.147 0.000 0.871 424 N CB -0.165 38.236 38.487 -0.144 0.000 0.987 424 N HN 0.422 nan 8.380 nan 0.000 0.431 425 M N 0.374 119.824 119.600 -0.250 0.000 2.447 425 M HA -0.038 4.442 4.480 -0.000 0.000 0.264 425 M C 1.652 177.767 176.300 -0.309 0.000 1.095 425 M CA 0.775 55.880 55.300 -0.324 0.000 1.125 425 M CB -0.119 32.268 32.600 -0.354 0.000 1.389 425 M HN 0.243 nan 8.290 nan 0.000 0.459 426 N N 0.245 118.814 118.700 -0.218 0.000 2.048 426 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 426 N C 0.905 176.325 175.510 -0.150 0.000 1.061 426 N CA 1.729 54.687 53.050 -0.155 0.000 0.849 426 N CB -0.035 38.394 38.487 -0.097 0.000 1.044 426 N HN 0.188 nan 8.380 nan 0.000 0.429 427 D N 0.855 121.180 120.400 -0.124 0.000 2.292 427 D HA -0.193 4.447 4.640 -0.000 0.000 0.205 427 D C 1.863 178.079 176.300 -0.140 0.000 0.994 427 D CA 0.443 54.378 54.000 -0.107 0.000 0.897 427 D CB -0.373 40.372 40.800 -0.092 0.000 0.907 427 D HN 0.313 nan 8.370 nan 0.000 0.467 428 L N 0.371 121.465 121.223 -0.215 0.000 2.043 428 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 428 L C 2.250 178.968 176.870 -0.255 0.000 1.075 428 L CA 1.322 55.977 54.840 -0.308 0.000 0.752 428 L CB -0.279 41.468 42.059 -0.520 0.000 0.891 428 L HN -0.085 nan 8.230 nan 0.000 0.432 429 V N -0.733 119.060 119.914 -0.202 0.000 2.358 429 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 429 V C 2.648 178.725 176.094 -0.029 0.000 1.047 429 V CA 1.704 63.948 62.300 -0.094 0.000 1.035 429 V CB -0.864 30.924 31.823 -0.059 0.000 0.658 429 V HN 0.735 nan 8.190 nan 0.000 0.452 430 S N 0.139 115.810 115.700 -0.048 0.000 2.357 430 S HA -0.181 4.289 4.470 -0.000 0.000 0.221 430 S C 1.821 176.393 174.600 -0.046 0.000 1.031 430 S CA 1.346 59.529 58.200 -0.028 0.000 0.982 430 S CB -0.494 62.690 63.200 -0.027 0.000 0.853 430 S HN 0.685 nan 8.310 nan 0.000 0.458 431 E N 0.020 120.172 120.200 -0.081 0.000 2.110 431 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 431 E C 1.873 178.315 176.600 -0.262 0.000 0.988 431 E CA 1.257 57.573 56.400 -0.140 0.000 0.804 431 E CB -0.333 29.279 29.700 -0.146 0.000 0.745 431 E HN 0.581 nan 8.360 nan 0.000 0.458 432 Y N 1.739 121.832 120.300 -0.346 0.000 2.114 432 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 432 Y C 2.544 178.263 175.900 -0.302 0.000 1.143 432 Y CA 1.907 59.781 58.100 -0.378 0.000 1.135 432 Y CB -0.281 38.047 38.460 -0.219 0.000 0.980 432 Y HN 0.002 nan 8.280 nan 0.000 0.499 433 Q N -0.075 119.716 119.800 -0.015 0.000 2.181 433 Q HA -0.293 4.047 4.340 -0.000 0.000 0.205 433 Q C 2.042 178.059 176.000 0.029 0.000 0.980 433 Q CA 1.821 57.631 55.803 0.011 0.000 0.862 433 Q CB -0.130 28.634 28.738 0.043 0.000 0.905 433 Q HN 0.615 nan 8.270 nan 0.000 0.429 434 Q N -0.484 119.304 119.800 -0.020 0.000 2.197 434 Q HA -0.197 4.143 4.340 -0.000 0.000 0.211 434 Q C -0.228 176.034 176.000 0.436 0.000 0.993 434 Q CA 0.928 56.815 55.803 0.140 0.000 0.883 434 Q CB -0.257 28.555 28.738 0.123 0.000 0.916 434 Q HN 0.362 nan 8.270 nan 0.000 0.418 435 Y N 1.784 122.106 120.300 0.037 0.000 2.480 435 Y HA 0.093 4.643 4.550 -0.000 0.000 0.341 435 Y C 0.120 176.021 175.900 0.002 0.000 1.031 435 Y CA -0.368 57.796 58.100 0.107 0.000 1.295 435 Y CB -0.470 38.105 38.460 0.191 0.000 1.162 435 Y HN 0.224 nan 8.280 nan 0.000 0.523 436 Q N 0.378 120.282 119.800 0.173 0.000 2.447 436 Q HA -0.167 4.173 4.340 -0.000 0.000 0.316 436 Q C -1.468 174.542 176.000 0.017 0.000 1.448 436 Q CA 0.621 56.441 55.803 0.028 0.000 0.804 436 Q CB -1.950 26.755 28.738 -0.055 0.000 1.107 436 Q HN 0.459 nan 8.270 nan 0.000 0.373 437 D N 0.000 120.422 120.400 0.037 0.000 6.856 437 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 437 D CA 0.000 54.013 54.000 0.022 0.000 0.868 437 D CB 0.000 40.824 40.800 0.040 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683