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 2vrk_1_A DATA FIRST_RESID 4 DATA SEQUENCE ASRVVVNADR VKGTINRNIY GHFSEHLGRC IYEGLWVGED SPIPNTNGIR DATA SEQUENCE NDVLEALKQX KIPVLRWPGG cFADEYHWKD GVGPREKRKR XVNTHWGGVI DATA SEQUENCE ENNHFGTHEF XXLCELLGCE PYISGNVGSG TVQEXSEWVE YITFDGESPX DATA SEQUENCE ANWRRENGRE KPWRIKYWGV GNENWGcGGN XRAEYYADLY RQFQTYLRNY DATA SEQUENCE GDNKLHKIAC GANTADYHWT EVLXKQAAPF XHGLSLHYYT VPGPWEKKGP DATA SEQUENCE ATGFTTDEWW VTLKKALFXD RLVTKHSAIX DVYDPDKRID LIVDEWGTWY DATA SEQUENCE DVEPGTNPGF LYQQNSIRDA LVAGATLHIF HRHCDRVRXA NIAQLVNVLQ DATA SEQUENCE SVILTEGERX LLTPTYHVFN XFKVHQDAEL LDTWESVERT GPEGELPKVS DATA SEQUENCE VSASRAADGK IHISLCNLDF ETGASVDIEL RGLNGGVSAT GTTLTSGRID DATA SEQUENCE GHNTFDEPER VKPAPFRDFK LEGGHLNASL PPXSVTVLEL TAG 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.618 177.584 0.056 0.000 1.274 4 A CA 0.000 52.069 52.037 0.053 0.000 0.836 4 A CB 0.000 19.035 19.000 0.059 0.000 0.831 5 S N 0.383 116.120 115.700 0.063 0.000 2.572 5 S HA 0.496 4.966 4.470 -0.001 0.000 0.279 5 S C 0.360 175.002 174.600 0.071 0.000 1.341 5 S CA -0.052 58.186 58.200 0.064 0.000 1.043 5 S CB 0.591 63.831 63.200 0.067 0.000 0.887 5 S HN 0.689 nan 8.310 nan 0.000 0.516 6 R N 1.432 121.975 120.500 0.072 0.000 2.599 6 R HA 0.670 5.009 4.340 -0.001 0.000 0.295 6 R C -1.915 174.434 176.300 0.083 0.000 0.963 6 R CA -0.469 55.680 56.100 0.083 0.000 0.883 6 R CB 1.028 31.381 30.300 0.089 0.000 1.171 6 R HN 0.469 nan 8.270 nan 0.000 0.450 7 V N 4.460 124.419 119.914 0.075 0.000 2.686 7 V HA 0.390 4.509 4.120 -0.001 0.000 0.306 7 V C -0.831 175.278 176.094 0.025 0.000 1.065 7 V CA -0.862 61.468 62.300 0.051 0.000 0.894 7 V CB 2.085 33.918 31.823 0.017 0.000 1.004 7 V HN 0.509 nan 8.190 nan 0.000 0.424 8 V N 5.082 125.004 119.914 0.012 0.000 2.384 8 V HA 0.470 4.589 4.120 -0.001 0.000 0.287 8 V C -0.200 175.727 176.094 -0.277 0.000 1.020 8 V CA -0.606 61.636 62.300 -0.097 0.000 0.850 8 V CB 1.883 33.706 31.823 0.000 0.000 0.987 8 V HN 0.620 nan 8.190 nan 0.000 0.436 9 V N 5.112 124.870 119.914 -0.261 0.000 2.350 9 V HA 0.373 4.493 4.120 -0.001 0.000 0.276 9 V C 0.189 176.082 176.094 -0.335 0.000 1.028 9 V CA -0.704 61.423 62.300 -0.288 0.000 0.860 9 V CB 1.420 33.129 31.823 -0.189 0.000 0.990 9 V HN 0.824 nan 8.190 nan 0.000 0.453 10 N N 4.167 122.615 118.700 -0.420 0.000 2.767 10 N HA 0.265 5.004 4.740 -0.001 0.000 0.238 10 N C 1.011 176.388 175.510 -0.221 0.000 1.083 10 N CA 0.010 52.848 53.050 -0.353 0.000 0.964 10 N CB 1.871 40.081 38.487 -0.463 0.000 1.252 10 N HN 0.798 nan 8.380 nan 0.000 0.512 11 A N 1.382 124.101 122.820 -0.169 0.000 2.121 11 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 11 A C 1.424 178.950 177.584 -0.096 0.000 1.154 11 A CA 1.030 52.993 52.037 -0.123 0.000 0.679 11 A CB -0.005 18.931 19.000 -0.107 0.000 0.795 11 A HN 0.553 nan 8.150 nan 0.000 0.458 12 D N -1.471 118.873 120.400 -0.094 0.000 2.339 12 D HA 0.065 4.704 4.640 -0.001 0.000 0.217 12 D C 0.615 176.879 176.300 -0.060 0.000 1.050 12 D CA 0.032 53.992 54.000 -0.066 0.000 0.856 12 D CB -0.108 40.660 40.800 -0.053 0.000 0.922 12 D HN 0.204 nan 8.370 nan 0.000 0.518 13 R N 0.860 121.311 120.500 -0.081 0.000 2.358 13 R HA 0.394 4.733 4.340 -0.001 0.000 0.309 13 R C -1.605 174.655 176.300 -0.066 0.000 1.026 13 R CA -0.642 55.419 56.100 -0.066 0.000 0.909 13 R CB 0.918 31.173 30.300 -0.075 0.000 1.153 13 R HN -0.191 nan 8.270 nan 0.000 0.515 14 V N 5.949 125.836 119.914 -0.045 0.000 2.465 14 V HA 0.266 4.386 4.120 -0.001 0.000 0.279 14 V C 0.683 176.757 176.094 -0.032 0.000 1.045 14 V CA -0.463 61.812 62.300 -0.042 0.000 0.938 14 V CB 1.712 33.516 31.823 -0.032 0.000 0.986 14 V HN 0.690 nan 8.190 nan 0.000 0.467 15 K N 2.844 123.221 120.400 -0.038 0.000 2.361 15 K HA 0.409 4.729 4.320 -0.001 0.000 0.194 15 K C 0.677 177.264 176.600 -0.022 0.000 1.032 15 K CA 0.698 56.968 56.287 -0.028 0.000 1.048 15 K CB 0.979 33.457 32.500 -0.037 0.000 0.842 15 K HN 0.957 nan 8.250 nan 0.000 0.526 16 G N -0.118 108.667 108.800 -0.025 0.000 2.362 16 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.288 16 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.288 16 G C -1.447 173.439 174.900 -0.023 0.000 1.305 16 G CA -0.918 44.172 45.100 -0.016 0.000 0.910 16 G HN -0.124 nan 8.290 nan 0.000 0.518 17 T N 0.849 115.394 114.554 -0.014 0.000 2.797 17 T HA 0.562 4.911 4.350 -0.001 0.000 0.279 17 T C 0.454 175.144 174.700 -0.018 0.000 0.991 17 T CA -0.221 61.869 62.100 -0.017 0.000 0.979 17 T CB 1.140 70.006 68.868 -0.003 0.000 0.943 17 T HN 0.511 nan 8.240 nan 0.000 0.444 18 I N 4.104 124.650 120.570 -0.041 0.000 2.389 18 I HA 0.095 4.264 4.170 -0.001 0.000 0.295 18 I C 1.030 177.165 176.117 0.030 0.000 1.117 18 I CA -0.480 60.800 61.300 -0.035 0.000 1.317 18 I CB 0.017 37.922 38.000 -0.158 0.000 1.431 18 I HN 0.512 nan 8.210 nan 0.000 0.521 19 N N 6.521 125.246 118.700 0.042 0.000 2.411 19 N HA -0.067 4.673 4.740 -0.001 0.000 0.261 19 N C 1.467 177.044 175.510 0.111 0.000 1.248 19 N CA 0.161 53.241 53.050 0.050 0.000 0.885 19 N CB 0.810 39.306 38.487 0.014 0.000 1.062 19 N HN 0.589 nan 8.380 nan 0.000 0.471 20 R N 3.226 123.790 120.500 0.107 0.000 2.159 20 R HA -0.112 4.227 4.340 -0.001 0.000 0.237 20 R C 0.539 176.976 176.300 0.228 0.000 1.131 20 R CA 1.168 57.370 56.100 0.169 0.000 0.982 20 R CB -0.237 30.124 30.300 0.102 0.000 0.868 20 R HN 0.444 nan 8.270 nan 0.000 0.453 21 N N 1.192 119.959 118.700 0.112 0.000 2.520 21 N HA -0.026 4.713 4.740 -0.001 0.000 0.185 21 N C 1.602 177.144 175.510 0.054 0.000 1.068 21 N CA 0.757 53.837 53.050 0.050 0.000 0.911 21 N CB -0.123 38.286 38.487 -0.130 0.000 0.961 21 N HN 0.352 nan 8.380 nan 0.000 0.446 22 I N -0.242 120.378 120.570 0.084 0.000 2.530 22 I HA -0.266 3.903 4.170 -0.001 0.000 0.257 22 I C 0.578 176.680 176.117 -0.024 0.000 1.179 22 I CA 1.143 62.432 61.300 -0.018 0.000 1.440 22 I CB -0.173 37.849 38.000 0.037 0.000 1.087 22 I HN 0.107 nan 8.210 nan 0.000 0.440 23 Y N 0.772 121.209 120.300 0.229 0.000 2.583 23 Y HA 0.279 4.828 4.550 -0.001 0.000 0.294 23 Y C 1.498 177.592 175.900 0.324 0.000 1.170 23 Y CA -0.579 57.752 58.100 0.384 0.000 1.265 23 Y CB -0.336 38.343 38.460 0.365 0.000 1.119 23 Y HN -0.016 nan 8.280 nan 0.000 0.522 24 G N -0.466 108.470 108.800 0.227 0.000 2.634 24 G HA2 0.228 4.187 3.960 -0.001 0.000 0.255 24 G HA3 0.228 4.187 3.960 -0.001 0.000 0.255 24 G C -0.448 174.346 174.900 -0.175 0.000 1.205 24 G CA -0.157 45.021 45.100 0.130 0.000 0.884 24 G HN 0.322 nan 8.290 nan 0.000 0.549 25 H N -1.362 117.775 119.070 0.111 0.000 2.908 25 H HA 0.555 5.110 4.556 -0.001 0.000 0.350 25 H C -1.667 173.743 175.328 0.137 0.000 1.217 25 H CA -0.396 55.673 56.048 0.034 0.000 1.168 25 H CB 2.458 32.183 29.762 -0.062 0.000 1.891 25 H HN 0.404 nan 8.280 nan 0.000 0.566 26 F N 1.608 121.566 119.950 0.012 0.000 2.630 26 F HA 0.347 4.874 4.527 -0.001 0.000 0.325 26 F C -1.452 174.301 175.800 -0.078 0.000 1.184 26 F CA -0.963 56.999 58.000 -0.063 0.000 1.011 26 F CB 1.531 40.446 39.000 -0.142 0.000 1.268 26 F HN 0.388 nan 8.300 nan 0.000 0.480 27 S N 4.398 120.018 115.700 -0.133 0.000 2.756 27 S HA 0.513 4.982 4.470 -0.001 0.000 0.303 27 S C -1.046 173.395 174.600 -0.266 0.000 1.135 27 S CA -0.729 57.260 58.200 -0.351 0.000 1.066 27 S CB 1.662 64.763 63.200 -0.164 0.000 1.008 27 S HN 0.853 nan 8.310 nan 0.000 0.482 28 E N 1.956 121.848 120.200 -0.513 0.000 2.248 28 E HA 0.195 4.544 4.350 -0.001 0.000 0.272 28 E C -0.482 175.922 176.600 -0.327 0.000 1.008 28 E CA -0.791 55.434 56.400 -0.290 0.000 0.856 28 E CB 0.698 30.221 29.700 -0.296 0.000 1.120 28 E HN 0.778 nan 8.360 nan 0.000 0.397 29 H N 4.063 122.769 119.070 -0.607 0.000 3.513 29 H HA 0.140 4.696 4.556 -0.001 0.000 0.253 29 H C -0.429 174.522 175.328 -0.629 0.000 1.514 29 H CA 0.166 55.761 56.048 -0.756 0.000 1.565 29 H CB -0.323 28.612 29.762 -1.378 0.000 1.776 29 H HN 0.252 nan 8.280 nan 0.000 0.562 30 L N 1.279 122.253 121.223 -0.415 0.000 2.472 30 L HA 0.433 4.772 4.340 -0.001 0.000 0.260 30 L C 0.743 177.299 176.870 -0.523 0.000 0.963 30 L CA -0.150 54.453 54.840 -0.394 0.000 0.829 30 L CB 1.624 43.495 42.059 -0.314 0.000 1.348 30 L HN 0.688 nan 8.230 nan 0.000 0.408 31 G N 3.637 111.944 108.800 -0.821 0.000 2.684 31 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.332 31 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.332 31 G C 0.388 174.819 174.900 -0.783 0.000 1.306 31 G CA 0.844 45.124 45.100 -1.367 0.000 1.002 31 G HN 0.756 nan 8.290 nan 0.000 0.545 32 R N -0.598 119.646 120.500 -0.428 0.000 2.696 32 R HA 0.384 4.723 4.340 -0.001 0.000 0.355 32 R C 1.752 177.918 176.300 -0.223 0.000 1.138 32 R CA 0.245 56.208 56.100 -0.228 0.000 1.059 32 R CB -0.232 30.015 30.300 -0.088 0.000 1.380 32 R HN 0.489 nan 8.270 nan 0.000 0.578 33 C N 0.244 119.354 119.300 -0.315 0.000 2.508 33 C HA 0.015 4.474 4.460 -0.001 0.000 0.280 33 C C 2.223 176.967 174.990 -0.410 0.000 1.262 33 C CA 0.534 59.349 59.018 -0.338 0.000 1.706 33 C CB -0.218 27.284 27.740 -0.396 0.000 2.078 33 C HN 0.450 nan 8.230 nan 0.000 0.480 34 I N -0.579 119.648 120.570 -0.571 0.000 2.270 34 I HA 0.074 4.243 4.170 -0.001 0.000 0.239 34 I C 0.489 176.171 176.117 -0.725 0.000 1.080 34 I CA 0.884 61.666 61.300 -0.864 0.000 1.383 34 I CB -1.628 35.534 38.000 -1.396 0.000 1.097 34 I HN 0.244 nan 8.210 nan 0.000 0.420 35 Y N 1.854 121.981 120.300 -0.289 0.000 2.402 35 Y HA 0.160 4.710 4.550 -0.001 0.000 0.333 35 Y C 1.462 177.298 175.900 -0.106 0.000 1.076 35 Y CA 0.279 58.313 58.100 -0.110 0.000 1.299 35 Y CB 0.413 38.821 38.460 -0.087 0.000 1.197 35 Y HN 0.219 nan 8.280 nan 0.000 0.517 36 E N 1.285 121.530 120.200 0.075 0.000 4.795 36 E HA -0.291 4.059 4.350 -0.001 0.000 0.162 36 E C 1.793 178.357 176.600 -0.060 0.000 1.142 36 E CA 1.114 57.512 56.400 -0.004 0.000 2.419 36 E CB -1.439 28.255 29.700 -0.010 0.000 1.740 36 E HN 0.955 nan 8.360 nan 0.000 0.493 37 G N 0.341 109.081 108.800 -0.099 0.000 2.422 37 G HA2 0.008 3.967 3.960 -0.001 0.000 0.218 37 G HA3 0.008 3.967 3.960 -0.001 0.000 0.218 37 G C 1.470 176.289 174.900 -0.135 0.000 1.146 37 G CA 1.352 46.381 45.100 -0.118 0.000 0.769 37 G HN 0.281 nan 8.290 nan 0.000 0.547 38 L N -2.923 118.200 121.223 -0.167 0.000 2.678 38 L HA 0.362 4.701 4.340 -0.001 0.000 0.187 38 L C 0.637 177.472 176.870 -0.058 0.000 1.073 38 L CA -0.546 54.208 54.840 -0.142 0.000 0.883 38 L CB 0.320 42.233 42.059 -0.243 0.000 1.501 38 L HN 0.191 nan 8.230 nan 0.000 0.488 39 W N 2.473 123.615 121.300 -0.264 0.000 2.387 39 W HA 0.342 5.001 4.660 -0.001 0.000 0.310 39 W C 0.435 176.954 176.519 -0.001 0.000 1.181 39 W CA -0.101 57.183 57.345 -0.103 0.000 1.333 39 W CB 1.425 30.805 29.460 -0.134 0.000 1.286 39 W HN -0.012 nan 8.180 nan 0.000 0.455 40 V N 3.848 123.488 119.914 -0.457 0.000 3.621 40 V HA 0.485 4.604 4.120 -0.001 0.000 0.263 40 V C 0.717 176.551 176.094 -0.433 0.000 1.272 40 V CA 0.649 62.765 62.300 -0.306 0.000 1.080 40 V CB -0.338 31.358 31.823 -0.211 0.000 0.816 40 V HN 0.900 nan 8.190 nan 0.000 0.451 41 G N 0.534 108.728 108.800 -1.011 0.000 2.712 41 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.686 41 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.686 41 G C 0.080 174.735 174.900 -0.407 0.000 1.181 41 G CA 0.168 44.893 45.100 -0.625 0.000 0.762 41 G HN 0.302 nan 8.290 nan 0.000 0.641 42 E N -0.343 119.713 120.200 -0.240 0.000 2.153 42 E HA -0.125 4.224 4.350 -0.001 0.000 0.194 42 E C 1.076 177.621 176.600 -0.092 0.000 0.988 42 E CA 1.334 57.645 56.400 -0.147 0.000 0.811 42 E CB 0.092 29.771 29.700 -0.035 0.000 0.746 42 E HN 0.484 nan 8.360 nan 0.000 0.466 43 D N 0.133 120.499 120.400 -0.057 0.000 2.342 43 D HA 0.012 4.651 4.640 -0.001 0.000 0.221 43 D C 0.119 176.394 176.300 -0.041 0.000 1.101 43 D CA 0.085 54.066 54.000 -0.032 0.000 0.837 43 D CB 0.423 41.224 40.800 0.001 0.000 0.938 43 D HN -0.070 nan 8.370 nan 0.000 0.508 44 S N 1.882 117.537 115.700 -0.075 0.000 2.562 44 S HA 0.104 4.573 4.470 -0.001 0.000 0.281 44 S C -1.172 173.391 174.600 -0.062 0.000 1.333 44 S CA -1.012 57.145 58.200 -0.072 0.000 1.052 44 S CB 1.313 64.448 63.200 -0.110 0.000 0.884 44 S HN -0.058 nan 8.310 nan 0.000 0.506 45 P HA 0.072 nan 4.420 nan 0.000 0.229 45 P C 0.160 177.430 177.300 -0.050 0.000 1.160 45 P CA 0.519 63.593 63.100 -0.042 0.000 0.777 45 P CB -0.155 31.524 31.700 -0.034 0.000 0.814 46 I N 2.510 123.043 120.570 -0.062 0.000 2.587 46 I HA 0.071 4.240 4.170 -0.001 0.000 0.284 46 I C -1.982 174.092 176.117 -0.072 0.000 1.134 46 I CA -2.072 59.188 61.300 -0.067 0.000 1.410 46 I CB -0.117 37.836 38.000 -0.078 0.000 1.392 46 I HN -0.200 nan 8.210 nan 0.000 0.545 47 P HA -0.001 nan 4.420 nan 0.000 0.262 47 P C -1.262 175.997 177.300 -0.069 0.000 1.182 47 P CA 0.152 63.219 63.100 -0.055 0.000 0.761 47 P CB 0.246 31.922 31.700 -0.040 0.000 0.795 48 N N -0.384 118.271 118.700 -0.075 0.000 2.494 48 N HA 0.461 5.200 4.740 -0.001 0.000 0.270 48 N C -1.545 173.921 175.510 -0.074 0.000 1.285 48 N CA -0.814 52.180 53.050 -0.094 0.000 0.812 48 N CB 1.007 39.400 38.487 -0.157 0.000 1.557 48 N HN -0.045 nan 8.380 nan 0.000 0.487 49 T N 1.756 116.272 114.554 -0.063 0.000 2.801 49 T HA 0.347 4.696 4.350 -0.001 0.000 0.306 49 T C -0.406 174.274 174.700 -0.034 0.000 1.020 49 T CA -0.386 61.694 62.100 -0.034 0.000 0.948 49 T CB -0.356 68.505 68.868 -0.010 0.000 0.962 49 T HN 0.680 nan 8.240 nan 0.000 0.465 50 N N 2.513 121.193 118.700 -0.033 0.000 2.735 50 N HA -0.225 4.514 4.740 -0.001 0.000 0.248 50 N C 1.130 176.573 175.510 -0.111 0.000 1.083 50 N CA 1.545 54.590 53.050 -0.008 0.000 0.703 50 N CB -1.466 37.066 38.487 0.075 0.000 1.005 50 N HN 1.191 nan 8.380 nan 0.000 0.550 51 G N -1.544 107.067 108.800 -0.316 0.000 2.194 51 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.236 51 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.236 51 G C 0.014 174.454 174.900 -0.766 0.000 0.987 51 G CA 0.192 44.791 45.100 -0.836 0.000 0.635 51 G HN 0.453 nan 8.290 nan 0.000 0.520 52 I N 2.720 123.120 120.570 -0.285 0.000 2.321 52 I HA 0.344 4.514 4.170 -0.001 0.000 0.291 52 I C 1.154 177.205 176.117 -0.109 0.000 0.998 52 I CA -1.108 60.127 61.300 -0.108 0.000 1.227 52 I CB 1.148 39.183 38.000 0.058 0.000 1.368 52 I HN 0.287 nan 8.210 nan 0.000 0.466 53 R N 4.561 124.994 120.500 -0.112 0.000 2.585 53 R HA 0.101 4.440 4.340 -0.001 0.000 0.275 53 R C 0.030 176.292 176.300 -0.063 0.000 1.018 53 R CA -0.364 55.679 56.100 -0.094 0.000 1.072 53 R CB 0.348 30.595 30.300 -0.089 0.000 0.953 53 R HN 0.518 nan 8.270 nan 0.000 0.419 54 N N 2.197 120.864 118.700 -0.055 0.000 2.216 54 N HA -0.167 4.573 4.740 -0.001 0.000 0.183 54 N C 0.886 176.375 175.510 -0.035 0.000 1.017 54 N CA 1.744 54.771 53.050 -0.038 0.000 0.861 54 N CB -0.309 38.159 38.487 -0.032 0.000 0.986 54 N HN 0.758 nan 8.380 nan 0.000 0.428 55 D N 0.721 121.096 120.400 -0.040 0.000 2.104 55 D HA -0.110 4.529 4.640 -0.001 0.000 0.194 55 D C 1.910 178.179 176.300 -0.052 0.000 0.994 55 D CA 0.903 54.878 54.000 -0.041 0.000 0.830 55 D CB -0.811 39.965 40.800 -0.039 0.000 0.959 55 D HN 0.047 nan 8.370 nan 0.000 0.452 56 V N 0.696 120.576 119.914 -0.057 0.000 2.295 56 V HA -0.195 3.924 4.120 -0.001 0.000 0.246 56 V C 2.802 178.868 176.094 -0.047 0.000 1.049 56 V CA 1.309 63.570 62.300 -0.065 0.000 1.024 56 V CB -0.716 31.063 31.823 -0.073 0.000 0.648 56 V HN 0.207 nan 8.190 nan 0.000 0.447 57 L N -0.297 120.904 121.223 -0.036 0.000 1.990 57 L HA -0.221 4.119 4.340 -0.001 0.000 0.213 57 L C 2.886 179.752 176.870 -0.006 0.000 1.072 57 L CA 1.767 56.595 54.840 -0.020 0.000 0.755 57 L CB -0.383 41.667 42.059 -0.015 0.000 0.889 57 L HN 0.335 nan 8.230 nan 0.000 0.432 58 E N -0.224 119.972 120.200 -0.006 0.000 2.077 58 E HA -0.221 4.128 4.350 -0.001 0.000 0.193 58 E C 2.134 178.752 176.600 0.029 0.000 0.989 58 E CA 1.380 57.786 56.400 0.009 0.000 0.800 58 E CB -0.350 29.352 29.700 0.003 0.000 0.746 58 E HN 0.578 nan 8.360 nan 0.000 0.452 59 A N 1.017 123.843 122.820 0.011 0.000 1.902 59 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 59 A C 2.404 180.092 177.584 0.175 0.000 1.181 59 A CA 1.163 53.230 52.037 0.050 0.000 0.623 59 A CB -0.686 18.237 19.000 -0.129 0.000 0.818 59 A HN 0.204 nan 8.150 nan 0.000 0.443 60 L N -1.055 120.216 121.223 0.079 0.000 2.093 60 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 60 L C 2.541 179.435 176.870 0.041 0.000 1.085 60 L CA 1.595 56.462 54.840 0.045 0.000 0.755 60 L CB -0.446 41.591 42.059 -0.035 0.000 0.904 60 L HN 0.344 nan 8.230 nan 0.000 0.435 61 K N -0.202 120.223 120.400 0.041 0.000 2.057 61 K HA -0.156 4.163 4.320 -0.001 0.000 0.206 61 K C 1.296 177.928 176.600 0.054 0.000 1.050 61 K CA 0.664 56.974 56.287 0.039 0.000 0.935 61 K CB -0.061 32.457 32.500 0.030 0.000 0.715 61 K HN 0.259 nan 8.250 nan 0.000 0.439 65 I N 3.351 123.977 120.570 0.094 0.000 2.828 65 I HA -0.029 4.140 4.170 -0.001 0.000 0.292 65 I C -1.416 174.795 176.117 0.157 0.000 1.206 65 I CA -0.957 60.431 61.300 0.148 0.000 1.420 65 I CB 0.943 38.966 38.000 0.038 0.000 1.368 65 I HN 0.220 nan 8.210 nan 0.000 0.556 66 P HA 0.076 nan 4.420 nan 0.000 0.226 66 P C 0.029 177.424 177.300 0.158 0.000 1.160 66 P CA 0.481 63.682 63.100 0.168 0.000 0.837 66 P CB 0.663 32.477 31.700 0.191 0.000 0.860 67 V N -0.099 119.928 119.914 0.188 0.000 3.077 67 V HA 0.576 4.695 4.120 -0.001 0.000 0.299 67 V C -2.215 174.025 176.094 0.243 0.000 1.276 67 V CA -1.015 61.400 62.300 0.192 0.000 0.993 67 V CB 2.490 34.381 31.823 0.114 0.000 1.076 67 V HN -0.135 nan 8.190 nan 0.000 0.434 68 L N 5.531 126.928 121.223 0.290 0.000 2.439 68 L HA 0.680 5.019 4.340 -0.001 0.000 0.270 68 L C -0.473 176.653 176.870 0.426 0.000 0.972 68 L CA -0.239 54.803 54.840 0.337 0.000 0.836 68 L CB 1.661 43.906 42.059 0.309 0.000 1.255 68 L HN 0.829 nan 8.230 nan 0.000 0.404 69 R N 3.829 124.490 120.500 0.268 0.000 2.349 69 R HA 0.549 4.889 4.340 -0.001 0.000 0.299 69 R C -1.883 174.497 176.300 0.133 0.000 1.027 69 R CA -0.366 55.723 56.100 -0.019 0.000 0.958 69 R CB 0.896 30.972 30.300 -0.372 0.000 1.047 69 R HN 0.772 nan 8.270 nan 0.000 0.468 70 W N 6.982 128.074 121.300 -0.347 0.000 3.419 70 W HA 0.321 4.981 4.660 -0.001 0.000 0.298 70 W C -2.563 173.691 176.519 -0.441 0.000 1.260 70 W CA -1.586 55.502 57.345 -0.430 0.000 1.199 70 W CB 1.902 30.783 29.460 -0.965 0.000 1.349 70 W HN 0.418 nan 8.180 nan 0.000 0.557 71 P HA 0.387 nan 4.420 nan 0.000 0.272 71 P C 0.111 177.169 177.300 -0.402 0.000 1.408 71 P CA 0.644 62.848 63.100 -1.494 0.000 0.996 71 P CB 1.368 31.853 31.700 -2.025 0.000 1.481 72 G N -1.319 107.384 108.800 -0.161 0.000 2.315 72 G HA2 0.360 4.319 3.960 -0.001 0.000 0.294 72 G HA3 0.360 4.319 3.960 -0.001 0.000 0.294 72 G C -0.051 174.915 174.900 0.110 0.000 1.300 72 G CA -0.187 45.016 45.100 0.171 0.000 0.843 72 G HN 0.086 nan 8.290 nan 0.000 0.527 73 G N -0.980 107.971 108.800 0.252 0.000 2.908 73 G HA2 0.244 4.204 3.960 -0.001 0.000 0.188 73 G HA3 0.244 4.204 3.960 -0.001 0.000 0.188 73 G C 1.778 176.698 174.900 0.034 0.000 1.903 73 G CA 1.439 46.581 45.100 0.069 0.000 0.883 73 G HN 1.109 nan 8.290 nan 0.000 0.515 74 c N -0.264 118.378 118.600 0.070 0.000 2.401 74 c HA -0.067 4.502 4.570 -0.001 0.000 0.276 74 c C 2.510 176.613 174.090 0.021 0.000 1.233 74 c CA 0.880 57.222 56.329 0.021 0.000 1.753 74 c CB -1.375 41.170 42.510 0.058 0.000 2.029 74 c HN 0.449 nan 8.230 nan 0.000 0.478 75 F N 2.357 122.257 119.950 -0.084 0.000 2.161 75 F HA -0.144 4.382 4.527 -0.001 0.000 0.300 75 F C 2.320 178.013 175.800 -0.179 0.000 1.089 75 F CA 1.391 59.312 58.000 -0.131 0.000 1.282 75 F CB -0.432 38.466 39.000 -0.169 0.000 1.010 75 F HN 0.173 nan 8.300 nan 0.000 0.485 76 A N -0.454 122.276 122.820 -0.150 0.000 1.978 76 A HA -0.223 4.096 4.320 -0.001 0.000 0.220 76 A C 1.463 178.909 177.584 -0.231 0.000 1.170 76 A CA 2.063 53.958 52.037 -0.237 0.000 0.636 76 A CB -0.892 17.991 19.000 -0.195 0.000 0.810 76 A HN 0.475 nan 8.150 nan 0.000 0.448 77 D N -1.160 119.111 120.400 -0.214 0.000 2.358 77 D HA 0.194 4.834 4.640 -0.001 0.000 0.224 77 D C 1.119 177.279 176.300 -0.235 0.000 1.123 77 D CA 0.224 54.109 54.000 -0.191 0.000 0.833 77 D CB 0.363 41.074 40.800 -0.150 0.000 0.946 77 D HN 0.627 nan 8.370 nan 0.000 0.505 78 E N -0.816 119.170 120.200 -0.356 0.000 2.485 78 E HA 0.027 4.376 4.350 -0.001 0.000 0.213 78 E C -0.159 176.058 176.600 -0.638 0.000 0.923 78 E CA -0.302 55.858 56.400 -0.401 0.000 1.054 78 E CB 0.591 30.093 29.700 -0.329 0.000 1.077 78 E HN 0.208 nan 8.360 nan 0.000 0.509 79 Y N 2.295 122.041 120.300 -0.923 0.000 2.359 79 Y HA 0.051 4.600 4.550 -0.001 0.000 0.330 79 Y C -0.316 175.075 175.900 -0.848 0.000 1.143 79 Y CA -0.355 57.187 58.100 -0.930 0.000 1.318 79 Y CB 0.375 38.304 38.460 -0.885 0.000 1.234 79 Y HN -0.005 nan 8.280 nan 0.000 0.522 80 H N 8.073 126.707 119.070 -0.727 0.000 2.718 80 H HA -0.005 4.550 4.556 -0.001 0.000 0.295 80 H C 0.746 175.353 175.328 -1.202 0.000 1.051 80 H CA -0.509 55.095 56.048 -0.741 0.000 1.260 80 H CB 0.169 29.652 29.762 -0.464 0.000 1.403 80 H HN 1.012 nan 8.280 nan 0.000 0.488 81 W N 4.147 124.650 121.300 -1.328 0.000 2.341 81 W HA -0.144 4.516 4.660 -0.001 0.000 0.283 81 W C 0.371 176.388 176.519 -0.837 0.000 1.215 81 W CA 0.407 56.836 57.345 -1.526 0.000 1.211 81 W CB -0.392 27.690 29.460 -2.297 0.000 1.131 81 W HN 0.326 nan 8.180 nan 0.000 0.552 82 K N 0.609 120.150 120.400 -1.432 0.000 2.283 82 K HA -0.132 4.187 4.320 -0.001 0.000 0.202 82 K C 1.345 177.665 176.600 -0.467 0.000 1.048 82 K CA 1.573 57.198 56.287 -1.103 0.000 0.948 82 K CB -0.255 31.672 32.500 -0.954 0.000 0.742 82 K HN -0.039 nan 8.250 nan 0.000 0.458 83 D N 0.109 120.263 120.400 -0.410 0.000 2.264 83 D HA -0.085 4.554 4.640 -0.001 0.000 0.208 83 D C 1.514 177.792 176.300 -0.036 0.000 0.966 83 D CA 0.942 54.838 54.000 -0.173 0.000 0.864 83 D CB -0.031 40.686 40.800 -0.139 0.000 0.933 83 D HN 0.347 nan 8.370 nan 0.000 0.499 84 G N 0.156 108.939 108.800 -0.029 0.000 3.393 84 G HA2 0.315 4.274 3.960 -0.001 0.000 0.255 84 G HA3 0.315 4.274 3.960 -0.001 0.000 0.255 84 G C 0.425 175.386 174.900 0.102 0.000 1.097 84 G CA 0.010 45.208 45.100 0.162 0.000 0.780 84 G HN 0.205 nan 8.290 nan 0.000 0.540 85 V N -3.357 116.534 119.914 -0.038 0.000 3.046 85 V HA 1.018 5.138 4.120 -0.001 0.000 0.316 85 V C 0.399 176.444 176.094 -0.081 0.000 1.104 85 V CA -0.285 61.956 62.300 -0.098 0.000 1.006 85 V CB 1.247 32.885 31.823 -0.309 0.000 1.058 85 V HN 1.348 nan 8.190 nan 0.000 0.440 86 G N 1.910 110.659 108.800 -0.085 0.000 2.592 86 G HA2 0.026 3.985 3.960 -0.001 0.000 0.684 86 G HA3 0.026 3.985 3.960 -0.001 0.000 0.684 86 G C -3.182 171.734 174.900 0.026 0.000 1.291 86 G CA -0.464 44.670 45.100 0.057 0.000 0.891 86 G HN 0.959 nan 8.290 nan 0.000 0.544 87 P HA 0.140 nan 4.420 nan 0.000 0.258 87 P C 1.083 178.397 177.300 0.022 0.000 1.172 87 P CA 0.130 63.252 63.100 0.036 0.000 0.762 87 P CB 0.565 32.298 31.700 0.056 0.000 0.764 88 R N 4.455 124.943 120.500 -0.020 0.000 2.091 88 R HA -0.191 4.148 4.340 -0.001 0.000 0.238 88 R C 1.840 178.100 176.300 -0.066 0.000 1.136 88 R CA 1.597 57.646 56.100 -0.085 0.000 0.959 88 R CB -0.123 30.068 30.300 -0.182 0.000 0.856 88 R HN 0.523 nan 8.270 nan 0.000 0.437 89 E N 0.385 120.572 120.200 -0.022 0.000 2.409 89 E HA -0.162 4.188 4.350 -0.001 0.000 0.198 89 E C 0.510 177.175 176.600 0.109 0.000 1.024 89 E CA 1.006 57.444 56.400 0.065 0.000 0.861 89 E CB 0.157 29.890 29.700 0.054 0.000 0.788 89 E HN 0.224 nan 8.360 nan 0.000 0.521 90 K N 0.955 121.408 120.400 0.087 0.000 2.358 90 K HA 0.232 4.552 4.320 -0.001 0.000 0.200 90 K C 0.501 177.157 176.600 0.093 0.000 1.030 90 K CA -0.211 56.126 56.287 0.084 0.000 1.097 90 K CB 0.887 33.428 32.500 0.068 0.000 0.862 90 K HN 0.064 nan 8.250 nan 0.000 0.534 91 R N 1.664 122.237 120.500 0.121 0.000 2.679 91 R HA 0.136 4.476 4.340 -0.001 0.000 0.269 91 R C 0.250 176.612 176.300 0.104 0.000 1.076 91 R CA -0.048 56.124 56.100 0.119 0.000 1.160 91 R CB 0.582 30.978 30.300 0.160 0.000 1.054 91 R HN -0.052 nan 8.270 nan 0.000 0.507 92 K N 2.016 122.460 120.400 0.074 0.000 2.414 92 K HA -0.002 4.317 4.320 -0.001 0.000 0.272 92 K C 0.412 177.049 176.600 0.060 0.000 0.993 92 K CA 0.444 56.763 56.287 0.052 0.000 0.964 92 K CB 0.596 33.112 32.500 0.027 0.000 0.925 92 K HN 0.454 nan 8.250 nan 0.000 0.487 96 N N 2.167 120.868 118.700 0.002 0.000 2.469 96 N HA 0.271 5.010 4.740 -0.001 0.000 0.253 96 N C 0.866 176.391 175.510 0.025 0.000 0.970 96 N CA 0.190 53.237 53.050 -0.006 0.000 0.940 96 N CB 2.096 40.596 38.487 0.022 0.000 1.128 96 N HN 0.941 nan 8.380 nan 0.000 0.503 97 T N -0.269 114.281 114.554 -0.007 0.000 3.361 97 T HA 0.102 4.451 4.350 -0.001 0.000 0.251 97 T C 0.336 175.190 174.700 0.258 0.000 1.131 97 T CA 0.475 62.621 62.100 0.076 0.000 1.001 97 T CB -0.368 68.529 68.868 0.048 0.000 1.003 97 T HN 0.363 nan 8.240 nan 0.000 0.558 98 H N -1.251 117.869 119.070 0.083 0.000 2.693 98 H HA 0.314 4.870 4.556 -0.001 0.000 0.348 98 H C 0.559 175.999 175.328 0.186 0.000 1.222 98 H CA -2.201 53.920 56.048 0.121 0.000 1.270 98 H CB 0.555 30.381 29.762 0.106 0.000 1.798 98 H HN 0.173 nan 8.280 nan 0.000 0.592 99 W N 1.655 122.997 121.300 0.070 0.000 2.341 99 W HA -0.213 4.447 4.660 -0.000 0.000 0.283 99 W C 1.482 178.001 176.519 0.000 0.000 1.215 99 W CA 1.257 58.593 57.345 -0.015 0.000 1.211 99 W CB -0.133 29.294 29.460 -0.055 0.000 1.131 99 W HN 0.853 nan 8.180 nan 0.000 0.552 100 G N 0.909 109.774 108.800 0.108 0.000 2.679 100 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.222 100 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.222 100 G C 1.287 176.163 174.900 -0.040 0.000 1.164 100 G CA 1.823 46.931 45.100 0.013 0.000 0.769 100 G HN 0.819 nan 8.290 nan 0.000 0.610 101 G N -1.943 106.868 108.800 0.019 0.000 2.182 101 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.248 101 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.248 101 G C 0.125 175.154 174.900 0.216 0.000 1.042 101 G CA 0.156 45.312 45.100 0.093 0.000 0.775 101 G HN 1.178 nan 8.290 nan 0.000 0.501 102 V N 1.068 121.051 119.914 0.114 0.000 2.267 102 V HA 0.443 4.562 4.120 -0.001 0.000 0.254 102 V C 0.369 176.478 176.094 0.024 0.000 1.144 102 V CA -0.269 62.071 62.300 0.068 0.000 0.992 102 V CB 0.432 32.293 31.823 0.065 0.000 1.199 102 V HN 0.318 nan 8.190 nan 0.000 0.493 103 I N 3.767 124.329 120.570 -0.013 0.000 2.347 103 I HA 0.405 4.574 4.170 -0.001 0.000 0.283 103 I C 0.078 176.088 176.117 -0.178 0.000 1.058 103 I CA -0.215 61.037 61.300 -0.080 0.000 1.202 103 I CB 1.338 39.283 38.000 -0.091 0.000 1.386 103 I HN 0.414 nan 8.210 nan 0.000 0.475 104 E N 4.502 124.632 120.200 -0.116 0.000 2.149 104 E HA 0.292 4.641 4.350 -0.001 0.000 0.255 104 E C 0.344 176.883 176.600 -0.102 0.000 0.888 104 E CA -0.360 55.980 56.400 -0.101 0.000 0.742 104 E CB 0.469 30.226 29.700 0.095 0.000 1.164 104 E HN 0.466 nan 8.360 nan 0.000 0.422 105 N N 3.372 121.915 118.700 -0.261 0.000 2.336 105 N HA 0.020 4.760 4.740 -0.001 0.000 0.189 105 N C -0.338 175.175 175.510 0.005 0.000 1.113 105 N CA 0.210 53.127 53.050 -0.221 0.000 0.858 105 N CB -0.282 37.870 38.487 -0.558 0.000 0.970 105 N HN 0.548 nan 8.380 nan 0.000 0.471 106 N N -0.908 117.901 118.700 0.181 0.000 2.713 106 N HA -0.258 4.481 4.740 -0.001 0.000 0.251 106 N C 0.113 175.850 175.510 0.378 0.000 1.117 106 N CA 1.010 54.270 53.050 0.350 0.000 0.770 106 N CB -1.574 37.076 38.487 0.271 0.000 1.137 106 N HN 0.578 nan 8.380 nan 0.000 0.566 107 H N -1.475 117.708 119.070 0.188 0.000 2.457 107 H HA -0.052 4.503 4.556 -0.001 0.000 0.294 107 H C 0.291 175.440 175.328 -0.299 0.000 1.064 107 H CA 0.563 56.623 56.048 0.021 0.000 1.330 107 H CB 0.125 29.971 29.762 0.141 0.000 1.395 107 H HN 0.226 nan 8.280 nan 0.000 0.541 108 F N 1.760 121.609 119.950 -0.168 0.000 2.335 108 F HA 0.384 4.910 4.527 -0.001 0.000 0.365 108 F C 0.518 176.391 175.800 0.123 0.000 1.122 108 F CA -0.419 57.355 58.000 -0.378 0.000 1.151 108 F CB 0.430 39.087 39.000 -0.573 0.000 1.282 108 F HN -0.066 nan 8.300 nan 0.000 0.513 109 G N 2.636 111.305 108.800 -0.218 0.000 3.251 109 G HA2 0.207 4.167 3.960 -0.001 0.000 0.248 109 G HA3 0.207 4.167 3.960 -0.001 0.000 0.248 109 G C 0.493 175.368 174.900 -0.041 0.000 1.320 109 G CA -0.114 45.085 45.100 0.166 0.000 0.982 109 G HN 0.355 nan 8.290 nan 0.000 0.575 110 T N 0.082 114.834 114.554 0.330 0.000 2.665 110 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 110 T C 1.916 176.575 174.700 -0.069 0.000 1.035 110 T CA 1.811 64.075 62.100 0.274 0.000 1.151 110 T CB -0.447 68.763 68.868 0.570 0.000 0.862 110 T HN 0.467 nan 8.240 nan 0.000 0.438 111 H N 0.626 119.687 119.070 -0.014 0.000 2.389 111 H HA -0.025 4.531 4.556 -0.001 0.000 0.299 111 H C 2.424 177.651 175.328 -0.169 0.000 1.081 111 H CA 1.353 57.417 56.048 0.027 0.000 1.345 111 H CB 0.097 29.981 29.762 0.204 0.000 1.393 111 H HN 0.396 nan 8.280 nan 0.000 0.520 112 E N 0.507 120.558 120.200 -0.248 0.000 2.106 112 E HA -0.061 4.288 4.350 -0.001 0.000 0.192 112 E C 0.702 176.898 176.600 -0.675 0.000 0.984 112 E CA 0.178 56.293 56.400 -0.475 0.000 0.806 112 E CB -0.174 29.007 29.700 -0.865 0.000 0.750 112 E HN 0.181 nan 8.360 nan 0.000 0.458 117 C N 0.997 120.075 119.300 -0.371 0.000 2.413 117 C HA -0.082 4.378 4.460 -0.001 0.000 0.277 117 C C 2.359 177.260 174.990 -0.148 0.000 1.265 117 C CA 1.567 60.402 59.018 -0.305 0.000 1.752 117 C CB -0.874 26.582 27.740 -0.473 0.000 1.998 117 C HN 0.603 nan 8.230 nan 0.000 0.489 118 E N 0.647 120.773 120.200 -0.122 0.000 2.072 118 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 118 E C 2.077 178.667 176.600 -0.016 0.000 0.985 118 E CA 0.894 57.272 56.400 -0.037 0.000 0.801 118 E CB -0.177 29.529 29.700 0.009 0.000 0.750 118 E HN 0.601 nan 8.360 nan 0.000 0.452 119 L N 0.497 121.708 121.223 -0.019 0.000 2.046 119 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 119 L C 2.286 179.153 176.870 -0.004 0.000 1.077 119 L CA 1.004 55.844 54.840 -0.001 0.000 0.747 119 L CB -0.260 41.805 42.059 0.009 0.000 0.896 119 L HN 0.191 nan 8.230 nan 0.000 0.432 120 L N -0.776 120.436 121.223 -0.018 0.000 2.313 120 L HA 0.045 4.384 4.340 -0.001 0.000 0.214 120 L C 1.488 178.360 176.870 0.003 0.000 1.119 120 L CA 0.668 55.503 54.840 -0.009 0.000 0.809 120 L CB -0.568 41.479 42.059 -0.019 0.000 0.933 120 L HN 0.511 nan 8.230 nan 0.000 0.449 121 G N 0.248 109.048 108.800 -0.001 0.000 2.160 121 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.244 121 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.244 121 G C 0.212 175.127 174.900 0.025 0.000 1.022 121 G CA 0.144 45.252 45.100 0.014 0.000 0.741 121 G HN 0.477 nan 8.290 nan 0.000 0.508 122 C N -1.340 117.968 119.300 0.014 0.000 2.505 122 C HA 0.915 5.375 4.460 -0.001 0.000 0.358 122 C C 0.413 175.429 174.990 0.042 0.000 1.226 122 C CA -1.586 57.459 59.018 0.045 0.000 1.900 122 C CB 1.956 29.733 27.740 0.062 0.000 2.306 122 C HN 0.408 nan 8.230 nan 0.000 0.512 123 E N 2.551 122.816 120.200 0.107 0.000 2.313 123 E HA 0.375 4.724 4.350 -0.001 0.000 0.276 123 E C -2.326 174.378 176.600 0.173 0.000 1.031 123 E CA -1.332 55.159 56.400 0.152 0.000 0.857 123 E CB 0.967 30.844 29.700 0.296 0.000 1.040 123 E HN 0.569 nan 8.360 nan 0.000 0.408 124 P HA 0.075 nan 4.420 nan 0.000 0.279 124 P C -0.847 176.735 177.300 0.471 0.000 1.239 124 P CA -0.212 63.020 63.100 0.222 0.000 0.789 124 P CB 0.433 32.165 31.700 0.052 0.000 0.933 125 Y N 3.894 124.431 120.300 0.395 0.000 2.333 125 Y HA 0.462 5.012 4.550 -0.001 0.000 0.324 125 Y C -1.225 174.721 175.900 0.076 0.000 1.033 125 Y CA -1.972 56.276 58.100 0.247 0.000 1.224 125 Y CB 0.416 38.993 38.460 0.195 0.000 1.120 125 Y HN 0.233 nan 8.280 nan 0.000 0.457 126 I N 4.100 124.720 120.570 0.084 0.000 2.385 126 I HA 0.319 4.488 4.170 -0.001 0.000 0.294 126 I C 0.100 175.771 176.117 -0.743 0.000 0.988 126 I CA -0.697 60.298 61.300 -0.507 0.000 1.265 126 I CB 1.768 39.150 38.000 -1.030 0.000 1.388 126 I HN 0.520 nan 8.210 nan 0.000 0.480 127 S N 3.985 119.291 115.700 -0.656 0.000 2.498 127 S HA 0.587 5.057 4.470 -0.001 0.000 0.324 127 S C 0.028 174.432 174.600 -0.327 0.000 1.071 127 S CA -0.597 57.321 58.200 -0.470 0.000 1.113 127 S CB 0.743 63.714 63.200 -0.381 0.000 0.976 127 S HN 0.774 nan 8.310 nan 0.000 0.462 128 G N 2.933 111.603 108.800 -0.217 0.000 2.504 128 G HA2 0.237 4.196 3.960 -0.001 0.000 0.288 128 G HA3 0.237 4.196 3.960 -0.001 0.000 0.288 128 G C -0.197 174.799 174.900 0.160 0.000 1.182 128 G CA -0.582 44.653 45.100 0.225 0.000 0.894 128 G HN 0.640 nan 8.290 nan 0.000 0.521 129 N N 1.066 119.893 118.700 0.212 0.000 2.437 129 N HA 0.157 4.896 4.740 -0.001 0.000 0.243 129 N C 0.903 176.397 175.510 -0.028 0.000 1.041 129 N CA -0.413 52.659 53.050 0.037 0.000 0.940 129 N CB 1.502 39.969 38.487 -0.033 0.000 1.133 129 N HN 0.045 nan 8.380 nan 0.000 0.506 130 V N 3.251 123.055 119.914 -0.183 0.000 2.492 130 V HA 0.090 4.209 4.120 -0.001 0.000 0.241 130 V C 2.201 178.212 176.094 -0.139 0.000 1.041 130 V CA 1.671 63.709 62.300 -0.437 0.000 1.057 130 V CB -0.737 30.812 31.823 -0.456 0.000 0.711 130 V HN 0.734 nan 8.190 nan 0.000 0.468 131 G N 0.345 109.102 108.800 -0.072 0.000 2.440 131 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 131 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 131 G C 1.483 176.411 174.900 0.046 0.000 1.154 131 G CA 1.596 46.694 45.100 -0.003 0.000 0.767 131 G HN 0.687 nan 8.290 nan 0.000 0.552 132 S N -0.947 114.773 115.700 0.033 0.000 2.819 132 S HA 0.540 5.009 4.470 -0.001 0.000 0.249 132 S C 0.859 175.576 174.600 0.195 0.000 1.030 132 S CA 0.281 58.539 58.200 0.096 0.000 1.052 132 S CB 0.752 63.992 63.200 0.065 0.000 1.017 132 S HN 0.540 nan 8.310 nan 0.000 0.576 133 G N 1.312 110.229 108.800 0.195 0.000 2.613 133 G HA2 0.642 4.602 3.960 -0.001 0.000 0.303 133 G HA3 0.642 4.602 3.960 -0.001 0.000 0.303 133 G C -0.392 174.730 174.900 0.371 0.000 1.312 133 G CA -0.201 45.078 45.100 0.299 0.000 1.036 133 G HN 0.524 nan 8.290 nan 0.000 0.513 134 T N -3.542 111.216 114.554 0.340 0.000 2.930 134 T HA 0.428 4.778 4.350 -0.001 0.000 0.290 134 T C 1.107 175.854 174.700 0.078 0.000 1.052 134 T CA -0.414 61.799 62.100 0.189 0.000 1.017 134 T CB 1.530 70.432 68.868 0.056 0.000 1.137 134 T HN 0.204 nan 8.240 nan 0.000 0.511 135 V N 1.166 120.836 119.914 -0.406 0.000 2.343 135 V HA -0.172 3.948 4.120 -0.001 0.000 0.247 135 V C 3.003 178.985 176.094 -0.187 0.000 1.051 135 V CA 2.313 64.237 62.300 -0.626 0.000 1.036 135 V CB -0.958 30.394 31.823 -0.784 0.000 0.654 135 V HN 1.032 nan 8.190 nan 0.000 0.451 136 Q N 0.453 120.165 119.800 -0.146 0.000 2.084 136 Q HA -0.198 4.142 4.340 -0.001 0.000 0.202 136 Q C 1.526 177.612 176.000 0.144 0.000 0.978 136 Q CA 1.513 57.295 55.803 -0.034 0.000 0.844 136 Q CB -0.050 28.658 28.738 -0.050 0.000 0.898 136 Q HN 0.791 nan 8.270 nan 0.000 0.426 140 E N 0.273 120.649 120.200 0.293 0.000 2.150 140 E HA -0.088 4.262 4.350 -0.001 0.000 0.193 140 E C 1.380 178.177 176.600 0.329 0.000 0.985 140 E CA 1.137 57.769 56.400 0.385 0.000 0.814 140 E CB -0.110 29.918 29.700 0.546 0.000 0.752 140 E HN 0.628 nan 8.360 nan 0.000 0.466 141 W N 1.245 122.446 121.300 -0.165 0.000 2.354 141 W HA -0.188 4.472 4.660 -0.001 0.000 0.315 141 W C 2.016 178.375 176.519 -0.267 0.000 1.206 141 W CA 0.941 57.776 57.345 -0.850 0.000 1.290 141 W CB -0.749 28.211 29.460 -0.834 0.000 1.152 141 W HN -0.152 nan 8.180 nan 0.000 0.489 142 V N 0.500 120.366 119.914 -0.080 0.000 2.332 142 V HA -0.313 3.806 4.120 -0.001 0.000 0.248 142 V C 2.313 178.483 176.094 0.127 0.000 1.055 142 V CA 2.426 64.588 62.300 -0.229 0.000 1.038 142 V CB -0.955 30.583 31.823 -0.475 0.000 0.651 142 V HN 0.200 nan 8.190 nan 0.000 0.450 143 E N -0.709 119.617 120.200 0.210 0.000 2.051 143 E HA -0.286 4.063 4.350 -0.001 0.000 0.192 143 E C 2.213 178.924 176.600 0.185 0.000 0.991 143 E CA 1.756 58.224 56.400 0.113 0.000 0.799 143 E CB -0.301 29.407 29.700 0.012 0.000 0.748 143 E HN 0.699 nan 8.360 nan 0.000 0.449 144 Y N 1.036 121.436 120.300 0.167 0.000 2.114 144 Y HA -0.252 4.297 4.550 -0.001 0.000 0.282 144 Y C 2.013 178.067 175.900 0.258 0.000 1.165 144 Y CA 2.125 60.372 58.100 0.245 0.000 1.148 144 Y CB -0.094 38.510 38.460 0.241 0.000 0.972 144 Y HN 0.060 nan 8.280 nan 0.000 0.504 145 I N -0.821 120.030 120.570 0.468 0.000 2.353 145 I HA -0.216 3.953 4.170 -0.001 0.000 0.248 145 I C 2.072 178.407 176.117 0.364 0.000 1.119 145 I CA 1.864 63.476 61.300 0.521 0.000 1.417 145 I CB -0.344 37.906 38.000 0.417 0.000 1.078 145 I HN 0.387 nan 8.210 nan 0.000 0.421 146 T N -3.063 111.650 114.554 0.265 0.000 3.003 146 T HA 0.143 4.493 4.350 -0.001 0.000 0.261 146 T C 0.333 175.163 174.700 0.218 0.000 1.003 146 T CA -0.284 61.963 62.100 0.246 0.000 0.917 146 T CB -0.195 68.844 68.868 0.284 0.000 1.084 146 T HN -0.032 nan 8.240 nan 0.000 0.522 147 F N 4.916 124.805 119.950 -0.102 0.000 2.467 147 F HA 0.378 4.904 4.527 -0.001 0.000 0.362 147 F C 0.678 176.389 175.800 -0.147 0.000 1.090 147 F CA -1.930 55.905 58.000 -0.274 0.000 1.202 147 F CB 1.094 39.744 39.000 -0.584 0.000 1.113 147 F HN 0.143 nan 8.300 nan 0.000 0.541 148 D N 2.185 122.243 120.400 -0.570 0.000 2.349 148 D HA 0.167 4.806 4.640 -0.001 0.000 0.214 148 D C 1.000 176.836 176.300 -0.774 0.000 1.063 148 D CA 0.208 53.892 54.000 -0.526 0.000 0.847 148 D CB -0.344 40.298 40.800 -0.262 0.000 0.933 148 D HN 0.544 nan 8.370 nan 0.000 0.513 149 G N -0.223 107.584 108.800 -1.655 0.000 2.695 149 G HA2 0.417 4.376 3.960 -0.001 0.000 0.213 149 G HA3 0.417 4.376 3.960 -0.001 0.000 0.213 149 G C -0.650 173.885 174.900 -0.609 0.000 1.406 149 G CA -0.728 43.731 45.100 -1.067 0.000 1.049 149 G HN 0.085 nan 8.290 nan 0.000 0.573 150 E N -0.398 119.718 120.200 -0.141 0.000 2.166 150 E HA 0.521 4.870 4.350 -0.001 0.000 0.275 150 E C -0.586 176.174 176.600 0.266 0.000 0.941 150 E CA -0.366 56.064 56.400 0.050 0.000 0.784 150 E CB 1.763 31.482 29.700 0.033 0.000 1.115 150 E HN 0.593 nan 8.360 nan 0.000 0.399 151 S N 1.905 117.746 115.700 0.235 0.000 2.611 151 S HA 0.442 4.911 4.470 -0.001 0.000 0.270 151 S C -2.978 171.728 174.600 0.177 0.000 1.131 151 S CA -1.483 56.844 58.200 0.213 0.000 0.826 151 S CB 1.109 64.448 63.200 0.232 0.000 1.095 151 S HN 0.101 nan 8.310 nan 0.000 0.461 155 N N -0.419 118.366 118.700 0.141 0.000 2.244 155 N HA -0.137 4.602 4.740 -0.001 0.000 0.183 155 N C 1.253 176.901 175.510 0.230 0.000 1.016 155 N CA 1.572 54.700 53.050 0.129 0.000 0.866 155 N CB -0.385 38.174 38.487 0.120 0.000 0.980 155 N HN 0.725 nan 8.380 nan 0.000 0.430 156 W N 2.818 124.177 121.300 0.097 0.000 2.381 156 W HA 0.052 4.712 4.660 -0.001 0.000 0.301 156 W C 2.333 178.943 176.519 0.152 0.000 1.205 156 W CA 0.793 58.254 57.345 0.193 0.000 1.285 156 W CB -0.576 29.114 29.460 0.384 0.000 1.133 156 W HN -0.002 nan 8.180 nan 0.000 0.521 157 R N 0.406 120.857 120.500 -0.082 0.000 2.083 157 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 157 R C 2.385 178.650 176.300 -0.058 0.000 1.137 157 R CA 1.998 57.863 56.100 -0.392 0.000 0.951 157 R CB -0.405 29.418 30.300 -0.795 0.000 0.851 157 R HN 0.149 nan 8.270 nan 0.000 0.434 158 R N 0.248 120.719 120.500 -0.048 0.000 2.075 158 R HA -0.120 4.220 4.340 -0.001 0.000 0.232 158 R C 2.230 178.555 176.300 0.042 0.000 1.126 158 R CA 1.787 57.870 56.100 -0.028 0.000 0.963 158 R CB -0.253 30.025 30.300 -0.038 0.000 0.858 158 R HN 0.437 nan 8.270 nan 0.000 0.435 159 E N 0.548 120.814 120.200 0.111 0.000 2.160 159 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 159 E C 1.262 177.930 176.600 0.114 0.000 0.991 159 E CA 0.861 57.344 56.400 0.137 0.000 0.810 159 E CB -0.041 29.797 29.700 0.230 0.000 0.742 159 E HN 0.296 nan 8.360 nan 0.000 0.466 160 N N -0.637 118.125 118.700 0.103 0.000 2.461 160 N HA 0.011 4.751 4.740 -0.001 0.000 0.188 160 N C 0.806 176.297 175.510 -0.031 0.000 1.134 160 N CA 0.950 53.985 53.050 -0.026 0.000 0.878 160 N CB 1.305 39.682 38.487 -0.183 0.000 0.972 160 N HN 0.305 nan 8.380 nan 0.000 0.456 161 G N 0.692 109.531 108.800 0.065 0.000 2.175 161 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.182 161 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.182 161 G C 0.067 175.006 174.900 0.064 0.000 1.003 161 G CA -0.411 44.729 45.100 0.067 0.000 0.666 161 G HN 0.339 nan 8.290 nan 0.000 0.506 162 R N 0.808 121.324 120.500 0.028 0.000 2.310 162 R HA 0.683 5.023 4.340 -0.001 0.000 0.316 162 R C 0.861 176.978 176.300 -0.305 0.000 1.004 162 R CA -0.340 55.615 56.100 -0.242 0.000 0.900 162 R CB 1.058 30.948 30.300 -0.683 0.000 1.152 162 R HN 0.132 nan 8.270 nan 0.000 0.513 163 E N 3.085 123.145 120.200 -0.233 0.000 2.016 163 E HA 0.029 4.379 4.350 -0.001 0.000 0.190 163 E C -0.372 176.082 176.600 -0.243 0.000 0.985 163 E CA 1.489 57.775 56.400 -0.189 0.000 0.802 163 E CB 0.209 29.833 29.700 -0.126 0.000 0.762 163 E HN 0.516 nan 8.360 nan 0.000 0.448 164 K N 1.570 121.813 120.400 -0.262 0.000 2.202 164 K HA 0.183 4.502 4.320 -0.001 0.000 0.264 164 K C -2.271 174.110 176.600 -0.365 0.000 1.010 164 K CA -1.726 54.408 56.287 -0.255 0.000 0.940 164 K CB 0.447 32.833 32.500 -0.191 0.000 0.983 164 K HN 0.183 nan 8.250 nan 0.000 0.475 165 P HA -0.006 nan 4.420 nan 0.000 0.272 165 P C -0.618 176.580 177.300 -0.169 0.000 1.223 165 P CA -0.139 62.834 63.100 -0.213 0.000 0.784 165 P CB 0.532 32.190 31.700 -0.070 0.000 0.923 166 W N 1.724 123.014 121.300 -0.015 0.000 2.215 166 W HA 0.232 4.891 4.660 -0.001 0.000 0.342 166 W C 0.961 177.494 176.519 0.022 0.000 1.237 166 W CA -0.006 57.337 57.345 -0.003 0.000 1.283 166 W CB 0.395 29.855 29.460 -0.000 0.000 1.131 166 W HN 0.201 nan 8.180 nan 0.000 0.606 167 R N 2.129 122.793 120.500 0.273 0.000 2.404 167 R HA 0.581 4.921 4.340 -0.001 0.000 0.291 167 R C -0.652 175.738 176.300 0.151 0.000 1.025 167 R CA -0.963 55.236 56.100 0.165 0.000 0.991 167 R CB 1.460 31.820 30.300 0.100 0.000 1.053 167 R HN 0.591 nan 8.270 nan 0.000 0.479 168 I N 1.340 121.982 120.570 0.119 0.000 2.644 168 I HA 0.206 4.375 4.170 -0.001 0.000 0.291 168 I C 0.145 176.282 176.117 0.032 0.000 1.180 168 I CA -0.359 61.001 61.300 0.100 0.000 1.040 168 I CB 1.914 40.032 38.000 0.196 0.000 1.255 168 I HN 0.493 nan 8.210 nan 0.000 0.422 169 K N 4.827 125.148 120.400 -0.132 0.000 2.157 169 K HA 0.153 4.472 4.320 -0.001 0.000 0.207 169 K C -0.576 175.894 176.600 -0.218 0.000 1.030 169 K CA 0.672 56.763 56.287 -0.327 0.000 0.965 169 K CB -0.043 31.955 32.500 -0.836 0.000 0.877 169 K HN 0.395 nan 8.250 nan 0.000 0.460 170 Y N 0.619 120.978 120.300 0.098 0.000 2.480 170 Y HA 0.044 4.593 4.550 -0.001 0.000 0.341 170 Y C -0.155 175.855 175.900 0.184 0.000 1.031 170 Y CA -0.486 57.605 58.100 -0.015 0.000 1.295 170 Y CB 0.214 38.437 38.460 -0.395 0.000 1.162 170 Y HN 0.194 nan 8.280 nan 0.000 0.523 171 W N 4.199 125.605 121.300 0.176 0.000 2.587 171 W HA 0.525 5.184 4.660 -0.001 0.000 0.324 171 W C -0.581 176.104 176.519 0.277 0.000 1.008 171 W CA -1.348 56.123 57.345 0.209 0.000 1.265 171 W CB 2.032 31.554 29.460 0.103 0.000 1.328 171 W HN 0.678 nan 8.180 nan 0.000 0.432 172 G N 3.117 112.034 108.800 0.194 0.000 2.339 172 G HA2 0.401 4.360 3.960 -0.001 0.000 0.287 172 G HA3 0.401 4.360 3.960 -0.001 0.000 0.287 172 G C -0.884 174.162 174.900 0.243 0.000 1.163 172 G CA -0.400 44.870 45.100 0.284 0.000 0.872 172 G HN 0.246 nan 8.290 nan 0.000 0.464 173 V N 3.052 123.203 119.914 0.395 0.000 2.174 173 V HA 0.610 4.729 4.120 -0.001 0.000 0.259 173 V C 0.992 177.259 176.094 0.289 0.000 1.261 173 V CA 0.533 63.068 62.300 0.390 0.000 1.137 173 V CB -0.748 31.367 31.823 0.487 0.000 1.290 173 V HN 1.474 nan 8.190 nan 0.000 0.486 174 G N 2.844 111.711 108.800 0.112 0.000 2.719 174 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.686 174 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.686 174 G C -0.819 174.029 174.900 -0.086 0.000 1.201 174 G CA -0.339 44.767 45.100 0.009 0.000 0.768 174 G HN 0.760 nan 8.290 nan 0.000 0.629 175 N N 1.076 119.655 118.700 -0.200 0.000 2.284 175 N HA 0.423 5.162 4.740 -0.001 0.000 0.300 175 N C 0.481 175.693 175.510 -0.497 0.000 1.047 175 N CA 0.041 52.921 53.050 -0.283 0.000 0.821 175 N CB 1.254 39.618 38.487 -0.205 0.000 1.337 175 N HN 0.838 nan 8.380 nan 0.000 0.482 176 E N 1.155 120.878 120.200 -0.794 0.000 2.238 176 E HA -0.263 4.087 4.350 -0.001 0.000 0.219 176 E C 0.018 175.773 176.600 -1.408 0.000 1.275 176 E CA 0.443 55.913 56.400 -1.550 0.000 0.714 176 E CB -1.385 27.678 29.700 -1.062 0.000 1.154 176 E HN 0.659 nan 8.360 nan 0.000 0.363 177 N N 0.068 118.088 118.700 -1.132 0.000 2.381 177 N HA -0.133 4.607 4.740 -0.001 0.000 0.182 177 N C 1.384 176.685 175.510 -0.349 0.000 1.025 177 N CA 1.376 54.075 53.050 -0.585 0.000 0.888 177 N CB -0.105 38.115 38.487 -0.445 0.000 0.965 177 N HN 0.537 nan 8.380 nan 0.000 0.438 178 W N 0.034 121.148 121.300 -0.310 0.000 2.611 178 W HA 0.242 4.902 4.660 -0.001 0.000 0.251 178 W C 0.862 177.313 176.519 -0.113 0.000 1.265 178 W CA 0.421 57.640 57.345 -0.211 0.000 1.295 178 W CB -0.661 28.433 29.460 -0.611 0.000 1.129 178 W HN -0.020 nan 8.180 nan 0.000 0.630 179 G N 0.881 109.599 108.800 -0.136 0.000 3.088 179 G HA2 -0.017 3.942 3.960 -0.001 0.000 0.197 179 G HA3 -0.017 3.942 3.960 -0.001 0.000 0.197 179 G C 0.943 175.778 174.900 -0.109 0.000 1.611 179 G CA 0.571 45.666 45.100 -0.008 0.000 0.771 179 G HN 0.196 nan 8.290 nan 0.000 0.789 180 c N 1.054 119.563 118.600 -0.151 0.000 2.422 180 c HA 0.308 4.877 4.570 -0.001 0.000 0.286 180 c C 2.437 176.452 174.090 -0.125 0.000 1.412 180 c CA 0.807 57.079 56.329 -0.095 0.000 1.786 180 c CB -1.242 41.236 42.510 -0.054 0.000 1.835 180 c HN 0.568 nan 8.230 nan 0.000 0.533 181 G N -0.527 108.139 108.800 -0.222 0.000 3.262 181 G HA2 0.441 4.400 3.960 -0.001 0.000 0.228 181 G HA3 0.441 4.400 3.960 -0.001 0.000 0.228 181 G C 1.096 175.941 174.900 -0.091 0.000 1.197 181 G CA 0.601 45.588 45.100 -0.190 0.000 0.819 181 G HN 1.469 nan 8.290 nan 0.000 0.531 182 G N -0.591 108.189 108.800 -0.033 0.000 2.370 182 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.174 182 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.174 182 G C 0.264 175.228 174.900 0.107 0.000 1.002 182 G CA -0.093 45.042 45.100 0.059 0.000 0.730 182 G HN 0.512 nan 8.290 nan 0.000 0.497 186 A N 1.489 124.273 122.820 -0.061 0.000 1.917 186 A HA -0.232 4.087 4.320 -0.001 0.000 0.219 186 A C 1.480 178.840 177.584 -0.373 0.000 1.182 186 A CA 2.059 53.604 52.037 -0.821 0.000 0.633 186 A CB -0.310 18.163 19.000 -0.879 0.000 0.819 186 A HN 0.768 nan 8.150 nan 0.000 0.448 187 E N -1.695 118.435 120.200 -0.116 0.000 2.110 187 E HA -0.169 4.180 4.350 -0.001 0.000 0.193 187 E C 1.785 178.420 176.600 0.057 0.000 0.988 187 E CA 1.480 57.860 56.400 -0.034 0.000 0.804 187 E CB -0.395 29.332 29.700 0.045 0.000 0.745 187 E HN 0.797 nan 8.360 nan 0.000 0.458 188 Y N -0.491 119.810 120.300 0.000 0.000 2.206 188 Y HA -0.188 4.361 4.550 -0.001 0.000 0.292 188 Y C 2.113 178.053 175.900 0.066 0.000 1.123 188 Y CA 1.162 59.289 58.100 0.046 0.000 1.142 188 Y CB -0.684 37.831 38.460 0.091 0.000 1.006 188 Y HN 0.131 nan 8.280 nan 0.000 0.518 189 Y N 0.762 120.991 120.300 -0.119 0.000 2.151 189 Y HA -0.255 4.295 4.550 -0.001 0.000 0.284 189 Y C 2.432 178.261 175.900 -0.118 0.000 1.166 189 Y CA 1.920 59.930 58.100 -0.150 0.000 1.163 189 Y CB -0.926 37.547 38.460 0.022 0.000 0.974 189 Y HN 0.160 nan 8.280 nan 0.000 0.511 190 A N 0.167 122.828 122.820 -0.264 0.000 1.908 190 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 190 A C 2.014 179.478 177.584 -0.201 0.000 1.181 190 A CA 2.059 53.939 52.037 -0.261 0.000 0.627 190 A CB -0.890 18.001 19.000 -0.182 0.000 0.818 190 A HN 0.561 nan 8.150 nan 0.000 0.445 191 D N 0.102 120.401 120.400 -0.168 0.000 2.097 191 D HA -0.123 4.517 4.640 -0.001 0.000 0.195 191 D C 2.022 178.221 176.300 -0.168 0.000 0.989 191 D CA 1.162 55.083 54.000 -0.132 0.000 0.827 191 D CB -0.373 40.395 40.800 -0.054 0.000 0.966 191 D HN 0.456 nan 8.370 nan 0.000 0.456 192 L N -0.140 120.929 121.223 -0.257 0.000 2.046 192 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 192 L C 2.541 179.364 176.870 -0.078 0.000 1.077 192 L CA 1.073 55.836 54.840 -0.127 0.000 0.747 192 L CB -0.628 41.308 42.059 -0.204 0.000 0.896 192 L HN 0.080 nan 8.230 nan 0.000 0.432 193 Y N 1.320 121.335 120.300 -0.475 0.000 2.081 193 Y HA -0.309 4.240 4.550 -0.001 0.000 0.280 193 Y C 2.800 178.609 175.900 -0.153 0.000 1.163 193 Y CA 1.689 59.548 58.100 -0.401 0.000 1.135 193 Y CB -0.251 37.819 38.460 -0.650 0.000 0.970 193 Y HN -0.024 nan 8.280 nan 0.000 0.498 194 R N -0.083 120.279 120.500 -0.231 0.000 2.091 194 R HA -0.227 4.112 4.340 -0.001 0.000 0.238 194 R C 2.480 178.560 176.300 -0.368 0.000 1.136 194 R CA 1.847 57.725 56.100 -0.370 0.000 0.959 194 R CB -0.450 29.621 30.300 -0.381 0.000 0.856 194 R HN 0.549 nan 8.270 nan 0.000 0.437 195 Q N 0.174 119.851 119.800 -0.205 0.000 1.990 195 Q HA -0.155 4.184 4.340 -0.001 0.000 0.200 195 Q C 1.810 177.779 176.000 -0.052 0.000 0.980 195 Q CA 1.488 57.221 55.803 -0.117 0.000 0.832 195 Q CB -0.113 28.580 28.738 -0.075 0.000 0.897 195 Q HN 0.230 nan 8.270 nan 0.000 0.427 196 F N 1.448 121.313 119.950 -0.142 0.000 2.091 196 F HA -0.298 4.229 4.527 -0.001 0.000 0.299 196 F C 2.649 178.370 175.800 -0.131 0.000 1.103 196 F CA 1.923 59.879 58.000 -0.074 0.000 1.228 196 F CB -0.328 38.628 39.000 -0.074 0.000 0.984 196 F HN 0.363 nan 8.300 nan 0.000 0.477 197 Q N -0.439 119.257 119.800 -0.174 0.000 2.224 197 Q HA -0.121 4.218 4.340 -0.001 0.000 0.203 197 Q C 1.602 177.476 176.000 -0.212 0.000 0.970 197 Q CA 2.026 57.676 55.803 -0.255 0.000 0.865 197 Q CB -1.616 26.796 28.738 -0.545 0.000 0.922 197 Q HN 0.221 nan 8.270 nan 0.000 0.445 198 T N 0.106 114.498 114.554 -0.271 0.000 2.699 198 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 198 T C 0.441 174.845 174.700 -0.494 0.000 1.036 198 T CA 1.782 63.628 62.100 -0.423 0.000 1.147 198 T CB -0.356 68.141 68.868 -0.618 0.000 0.862 198 T HN 0.488 nan 8.240 nan 0.000 0.446 199 Y N 0.451 120.659 120.300 -0.153 0.000 2.493 199 Y HA 0.400 4.949 4.550 -0.001 0.000 0.275 199 Y C 0.399 176.213 175.900 -0.143 0.000 1.183 199 Y CA -0.343 57.675 58.100 -0.135 0.000 1.258 199 Y CB -0.159 38.226 38.460 -0.125 0.000 1.108 199 Y HN 0.107 nan 8.280 nan 0.000 0.521 200 L N 2.437 123.600 121.223 -0.100 0.000 2.270 200 L HA 0.379 4.719 4.340 -0.001 0.000 0.286 200 L C -0.136 176.575 176.870 -0.265 0.000 1.059 200 L CA -0.563 54.153 54.840 -0.208 0.000 0.839 200 L CB 0.272 42.156 42.059 -0.291 0.000 1.221 200 L HN -0.017 nan 8.230 nan 0.000 0.431 201 R N 1.799 122.088 120.500 -0.352 0.000 2.532 201 R HA 0.311 4.650 4.340 -0.001 0.000 0.272 201 R C -0.352 175.626 176.300 -0.537 0.000 1.032 201 R CA -0.931 54.845 56.100 -0.539 0.000 1.089 201 R CB 0.630 30.349 30.300 -0.967 0.000 1.098 201 R HN 0.363 nan 8.270 nan 0.000 0.526 202 N N 2.101 120.559 118.700 -0.402 0.000 2.439 202 N HA 0.121 4.861 4.740 -0.001 0.000 0.243 202 N C -0.915 174.446 175.510 -0.249 0.000 1.088 202 N CA 0.087 52.993 53.050 -0.240 0.000 0.940 202 N CB 0.131 38.545 38.487 -0.121 0.000 1.180 202 N HN 0.287 nan 8.380 nan 0.000 0.505 203 Y N 0.692 121.021 120.300 0.050 0.000 2.334 203 Y HA 0.458 5.007 4.550 -0.001 0.000 0.328 203 Y C 1.677 177.642 175.900 0.108 0.000 1.130 203 Y CA 0.087 58.264 58.100 0.127 0.000 1.163 203 Y CB 0.919 39.529 38.460 0.250 0.000 1.207 203 Y HN 0.699 nan 8.280 nan 0.000 0.471 204 G N 2.297 111.263 108.800 0.277 0.000 2.651 204 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.315 204 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.315 204 G C 0.604 175.560 174.900 0.093 0.000 1.258 204 G CA 0.773 45.962 45.100 0.148 0.000 1.002 204 G HN 0.637 nan 8.290 nan 0.000 0.551 205 D N 1.631 122.074 120.400 0.071 0.000 2.339 205 D HA 0.064 4.704 4.640 -0.001 0.000 0.217 205 D C 1.079 177.409 176.300 0.051 0.000 1.050 205 D CA -0.020 54.010 54.000 0.049 0.000 0.856 205 D CB -0.220 40.602 40.800 0.036 0.000 0.922 205 D HN 0.370 nan 8.370 nan 0.000 0.518 206 N N 1.836 120.579 118.700 0.072 0.000 2.513 206 N HA -0.011 4.728 4.740 -0.001 0.000 0.268 206 N C -0.478 175.051 175.510 0.032 0.000 1.180 206 N CA 0.310 53.398 53.050 0.063 0.000 0.948 206 N CB 0.579 39.127 38.487 0.102 0.000 1.083 206 N HN -0.232 nan 8.380 nan 0.000 0.455 207 K N 4.295 124.708 120.400 0.021 0.000 2.483 207 K HA 0.330 4.649 4.320 -0.001 0.000 0.256 207 K C -0.278 176.334 176.600 0.021 0.000 0.961 207 K CA -0.552 55.745 56.287 0.016 0.000 0.873 207 K CB 1.697 34.215 32.500 0.030 0.000 1.107 207 K HN 0.521 nan 8.250 nan 0.000 0.432 208 L N 2.143 123.375 121.223 0.016 0.000 2.426 208 L HA 0.119 4.458 4.340 -0.001 0.000 0.271 208 L C 0.264 177.209 176.870 0.124 0.000 1.169 208 L CA -0.222 54.648 54.840 0.048 0.000 0.836 208 L CB 0.169 42.223 42.059 -0.008 0.000 1.112 208 L HN 0.577 nan 8.230 nan 0.000 0.465 209 H N 3.208 122.303 119.070 0.043 0.000 2.683 209 H HA 0.268 4.823 4.556 -0.001 0.000 0.270 209 H C -0.742 174.704 175.328 0.197 0.000 1.201 209 H CA -0.600 55.508 56.048 0.101 0.000 1.277 209 H CB 0.396 30.122 29.762 -0.060 0.000 1.400 209 H HN 0.372 nan 8.280 nan 0.000 0.504 210 K N 4.867 125.361 120.400 0.157 0.000 2.276 210 K HA 0.300 4.619 4.320 -0.001 0.000 0.283 210 K C -0.524 176.241 176.600 0.275 0.000 1.044 210 K CA -0.100 56.351 56.287 0.274 0.000 0.944 210 K CB 1.116 33.777 32.500 0.269 0.000 1.012 210 K HN 0.528 nan 8.250 nan 0.000 0.472 211 I N 2.805 123.581 120.570 0.343 0.000 2.410 211 I HA 0.261 4.431 4.170 -0.001 0.000 0.286 211 I C -0.175 176.111 176.117 0.283 0.000 1.009 211 I CA -0.762 60.691 61.300 0.255 0.000 1.111 211 I CB 1.840 39.964 38.000 0.207 0.000 1.262 211 I HN 0.629 nan 8.210 nan 0.000 0.443 212 A N 5.030 127.905 122.820 0.092 0.000 2.340 212 A HA 0.269 4.588 4.320 -0.001 0.000 0.268 212 A C 0.040 177.703 177.584 0.132 0.000 1.100 212 A CA -0.350 51.670 52.037 -0.029 0.000 0.803 212 A CB 0.743 19.414 19.000 -0.548 0.000 1.043 212 A HN 0.895 nan 8.150 nan 0.000 0.488 213 C N 3.265 122.689 119.300 0.207 0.000 2.638 213 C HA 0.509 4.968 4.460 -0.001 0.000 0.410 213 C C 1.165 176.266 174.990 0.185 0.000 1.404 213 C CA 0.376 59.390 59.018 -0.008 0.000 1.651 213 C CB -1.666 25.834 27.740 -0.400 0.000 2.495 213 C HN 0.979 nan 8.230 nan 0.000 0.606 214 G N 4.189 113.027 108.800 0.063 0.000 2.671 214 G HA2 0.677 4.636 3.960 -0.001 0.000 0.275 214 G HA3 0.677 4.636 3.960 -0.001 0.000 0.275 214 G C -0.208 174.532 174.900 -0.267 0.000 1.368 214 G CA 0.017 45.187 45.100 0.116 0.000 1.044 214 G HN 1.304 nan 8.290 nan 0.000 0.543 215 A N -0.358 122.267 122.820 -0.325 0.000 2.425 215 A HA 0.417 4.737 4.320 -0.001 0.000 0.242 215 A C 0.405 177.576 177.584 -0.688 0.000 1.077 215 A CA -0.225 51.437 52.037 -0.625 0.000 0.781 215 A CB 0.119 18.917 19.000 -0.335 0.000 1.020 215 A HN 0.617 nan 8.150 nan 0.000 0.494 216 N N 1.299 119.274 118.700 -1.207 0.000 2.422 216 N HA 0.355 5.094 4.740 -0.001 0.000 0.264 216 N C 0.815 176.031 175.510 -0.491 0.000 1.063 216 N CA 1.101 53.548 53.050 -1.005 0.000 0.959 216 N CB -0.266 37.043 38.487 -1.962 0.000 1.087 216 N HN 0.790 nan 8.380 nan 0.000 0.483 217 T N 2.702 117.158 114.554 -0.164 0.000 13.879 217 T HA -0.318 4.031 4.350 -0.001 0.000 0.418 217 T C 0.723 175.358 174.700 -0.107 0.000 1.442 217 T CA 2.143 64.231 62.100 -0.021 0.000 2.336 217 T CB -1.439 67.478 68.868 0.083 0.000 2.768 217 T HN 0.772 nan 8.240 nan 0.000 0.395 218 A N 1.506 124.197 122.820 -0.215 0.000 2.640 218 A HA 0.400 4.719 4.320 -0.001 0.000 0.282 218 A C 0.466 177.598 177.584 -0.753 0.000 1.357 218 A CA 0.234 51.907 52.037 -0.606 0.000 0.946 218 A CB -0.143 18.661 19.000 -0.327 0.000 1.065 218 A HN 0.587 nan 8.150 nan 0.000 0.541 219 D N -0.034 120.116 120.400 -0.416 0.000 2.551 219 D HA 0.122 4.761 4.640 -0.001 0.000 0.223 219 D C 0.389 176.676 176.300 -0.023 0.000 1.144 219 D CA -0.207 53.664 54.000 -0.216 0.000 1.025 219 D CB -0.264 40.402 40.800 -0.223 0.000 1.085 219 D HN 0.448 nan 8.370 nan 0.000 0.506 220 Y N 0.463 120.837 120.300 0.124 0.000 2.274 220 Y HA -0.140 4.410 4.550 -0.001 0.000 0.290 220 Y C 2.208 178.219 175.900 0.185 0.000 1.145 220 Y CA 1.035 59.190 58.100 0.091 0.000 1.203 220 Y CB -0.807 37.620 38.460 -0.055 0.000 0.984 220 Y HN 0.533 nan 8.280 nan 0.000 0.533 221 H N -0.808 118.399 119.070 0.230 0.000 2.387 221 H HA -0.243 4.313 4.556 -0.001 0.000 0.299 221 H C 2.171 177.611 175.328 0.187 0.000 1.099 221 H CA 2.042 58.195 56.048 0.174 0.000 1.315 221 H CB -0.497 29.344 29.762 0.132 0.000 1.380 221 H HN 0.462 nan 8.280 nan 0.000 0.513 222 W N 1.111 122.412 121.300 0.003 0.000 2.354 222 W HA -0.199 4.461 4.660 -0.001 0.000 0.315 222 W C 1.705 178.198 176.519 -0.042 0.000 1.206 222 W CA 2.205 59.519 57.345 -0.051 0.000 1.290 222 W CB -0.670 28.774 29.460 -0.028 0.000 1.152 222 W HN 0.240 nan 8.180 nan 0.000 0.489 223 T N 0.559 115.310 114.554 0.329 0.000 2.720 223 T HA -0.313 4.037 4.350 -0.001 0.000 0.268 223 T C 1.596 176.323 174.700 0.044 0.000 1.037 223 T CA 2.106 64.349 62.100 0.238 0.000 1.144 223 T CB -0.508 68.609 68.868 0.416 0.000 0.864 223 T HN 0.369 nan 8.240 nan 0.000 0.444 224 E N 0.543 120.758 120.200 0.027 0.000 2.051 224 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 224 E C 2.220 178.644 176.600 -0.294 0.000 0.991 224 E CA 1.186 57.541 56.400 -0.076 0.000 0.799 224 E CB -0.152 29.574 29.700 0.044 0.000 0.748 224 E HN 0.281 nan 8.360 nan 0.000 0.449 225 V N 1.638 121.343 119.914 -0.348 0.000 2.295 225 V HA -0.182 3.937 4.120 -0.001 0.000 0.246 225 V C 1.854 177.738 176.094 -0.350 0.000 1.049 225 V CA 0.855 62.923 62.300 -0.387 0.000 1.024 225 V CB -0.423 31.094 31.823 -0.510 0.000 0.648 225 V HN 0.284 nan 8.190 nan 0.000 0.447 229 Q N -0.259 119.437 119.800 -0.172 0.000 2.302 229 Q HA 0.247 4.586 4.340 -0.001 0.000 0.202 229 Q C 1.125 177.156 176.000 0.051 0.000 0.936 229 Q CA 1.414 57.184 55.803 -0.055 0.000 0.886 229 Q CB 1.293 29.982 28.738 -0.082 0.000 0.986 229 Q HN 0.368 nan 8.270 nan 0.000 0.487 230 A N -0.736 122.100 122.820 0.026 0.000 2.653 230 A HA 0.542 4.862 4.320 -0.001 0.000 0.248 230 A C 1.740 179.403 177.584 0.132 0.000 1.211 230 A CA 0.624 52.781 52.037 0.199 0.000 0.991 230 A CB 0.105 19.183 19.000 0.130 0.000 1.252 230 A HN 0.152 nan 8.150 nan 0.000 0.593 231 A N 1.725 124.534 122.820 -0.017 0.000 1.917 231 A HA -0.077 4.242 4.320 -0.001 0.000 0.219 231 A C 0.028 177.538 177.584 -0.123 0.000 1.182 231 A CA 2.285 54.289 52.037 -0.055 0.000 0.633 231 A CB -1.599 17.373 19.000 -0.046 0.000 0.819 231 A HN 0.409 nan 8.150 nan 0.000 0.448 232 P HA 0.041 nan 4.420 nan 0.000 0.230 232 P C -0.111 176.824 177.300 -0.608 0.000 1.158 232 P CA 0.659 63.438 63.100 -0.535 0.000 0.769 232 P CB -0.018 31.187 31.700 -0.826 0.000 0.807 236 G N 0.726 109.569 108.800 0.071 0.000 2.704 236 G HA2 0.510 4.469 3.960 -0.001 0.000 0.293 236 G HA3 0.510 4.469 3.960 -0.001 0.000 0.293 236 G C -2.076 172.864 174.900 0.067 0.000 1.421 236 G CA -0.544 44.614 45.100 0.096 0.000 0.870 236 G HN 0.095 nan 8.290 nan 0.000 0.492 237 L N 1.160 122.416 121.223 0.054 0.000 2.436 237 L HA 0.761 5.100 4.340 -0.001 0.000 0.268 237 L C 0.478 177.369 176.870 0.034 0.000 0.974 237 L CA -0.501 54.364 54.840 0.043 0.000 0.826 237 L CB 2.031 44.113 42.059 0.038 0.000 1.291 237 L HN 0.848 nan 8.230 nan 0.000 0.406 238 S N 4.052 119.775 115.700 0.037 0.000 2.713 238 S HA 0.878 5.347 4.470 -0.001 0.000 0.277 238 S C -0.731 173.846 174.600 -0.039 0.000 1.168 238 S CA -0.633 57.582 58.200 0.025 0.000 0.994 238 S CB 1.599 64.841 63.200 0.069 0.000 1.054 238 S HN 0.849 nan 8.310 nan 0.000 0.555 239 L N 0.042 121.270 121.223 0.008 0.000 2.549 239 L HA 0.512 4.852 4.340 -0.001 0.000 0.259 239 L C -1.742 175.259 176.870 0.219 0.000 0.934 239 L CA -0.186 54.623 54.840 -0.051 0.000 0.865 239 L CB 1.803 43.772 42.059 -0.149 0.000 1.352 239 L HN 0.993 nan 8.230 nan 0.000 0.410 240 H N 4.090 123.142 119.070 -0.030 0.000 2.529 240 H HA 0.568 5.123 4.556 -0.001 0.000 0.348 240 H C -1.937 173.448 175.328 0.095 0.000 1.079 240 H CA -0.704 55.359 56.048 0.026 0.000 1.198 240 H CB 2.297 32.142 29.762 0.139 0.000 1.521 240 H HN 0.622 nan 8.280 nan 0.000 0.514 241 Y N 3.507 123.810 120.300 0.005 0.000 2.298 241 Y HA 0.207 4.757 4.550 -0.001 0.000 0.322 241 Y C -2.106 173.803 175.900 0.016 0.000 1.138 241 Y CA -0.956 57.180 58.100 0.060 0.000 1.127 241 Y CB 0.392 38.912 38.460 0.101 0.000 1.178 241 Y HN 0.510 nan 8.280 nan 0.000 0.428 242 Y N 3.084 123.230 120.300 -0.258 0.000 2.334 242 Y HA 0.462 5.011 4.550 -0.001 0.000 0.328 242 Y C 0.667 176.213 175.900 -0.590 0.000 1.130 242 Y CA -0.530 57.434 58.100 -0.227 0.000 1.163 242 Y CB 1.765 40.331 38.460 0.177 0.000 1.207 242 Y HN 0.511 nan 8.280 nan 0.000 0.471 243 T N 3.785 118.220 114.554 -0.197 0.000 2.739 243 T HA 0.387 4.736 4.350 -0.001 0.000 0.298 243 T C -0.636 174.030 174.700 -0.057 0.000 0.929 243 T CA -0.413 61.592 62.100 -0.157 0.000 1.014 243 T CB -0.384 68.445 68.868 -0.066 0.000 0.914 243 T HN 0.304 nan 8.240 nan 0.000 0.509 244 V N 7.803 127.708 119.914 -0.015 0.000 2.349 244 V HA 0.233 4.352 4.120 -0.001 0.000 0.284 244 V C -1.708 174.395 176.094 0.015 0.000 1.014 244 V CA -1.771 60.520 62.300 -0.014 0.000 0.826 244 V CB 1.466 33.289 31.823 0.001 0.000 1.009 244 V HN 0.530 nan 8.190 nan 0.000 0.431 245 P HA -0.027 nan 4.420 nan 0.000 0.213 245 P C 0.985 178.301 177.300 0.027 0.000 1.170 245 P CA 1.238 64.359 63.100 0.034 0.000 0.893 245 P CB 0.246 31.968 31.700 0.036 0.000 0.784 246 G N -0.323 108.485 108.800 0.014 0.000 2.537 246 G HA2 0.418 4.377 3.960 -0.001 0.000 0.297 246 G HA3 0.418 4.377 3.960 -0.001 0.000 0.297 246 G C -2.478 172.426 174.900 0.006 0.000 1.310 246 G CA -1.398 43.707 45.100 0.009 0.000 1.027 246 G HN 0.007 nan 8.290 nan 0.000 0.505 247 P HA -0.117 nan 4.420 nan 0.000 0.269 247 P C 0.578 177.901 177.300 0.038 0.000 1.217 247 P CA -0.356 62.772 63.100 0.047 0.000 0.783 247 P CB 0.924 32.650 31.700 0.043 0.000 0.898 248 W N 1.703 122.943 121.300 -0.099 0.000 2.342 248 W HA -0.184 4.476 4.660 -0.001 0.000 0.297 248 W C 1.140 177.588 176.519 -0.119 0.000 1.213 248 W CA 1.716 58.967 57.345 -0.157 0.000 1.251 248 W CB -0.193 29.164 29.460 -0.171 0.000 1.136 248 W HN 0.395 nan 8.180 nan 0.000 0.526 249 E N -0.196 120.039 120.200 0.059 0.000 2.268 249 E HA -0.115 4.234 4.350 -0.001 0.000 0.195 249 E C 0.670 177.232 176.600 -0.064 0.000 0.995 249 E CA 1.058 57.463 56.400 0.008 0.000 0.836 249 E CB -0.119 29.614 29.700 0.055 0.000 0.763 249 E HN -0.020 nan 8.360 nan 0.000 0.491 250 K N 0.216 120.569 120.400 -0.078 0.000 2.865 250 K HA 0.182 4.501 4.320 -0.001 0.000 0.215 250 K C -0.175 176.376 176.600 -0.081 0.000 1.120 250 K CA -0.107 56.138 56.287 -0.070 0.000 1.037 250 K CB 0.296 32.782 32.500 -0.023 0.000 1.233 250 K HN -0.185 nan 8.250 nan 0.000 0.577 251 K N 0.879 121.193 120.400 -0.143 0.000 2.211 251 K HA 0.039 4.358 4.320 -0.001 0.000 0.203 251 K C 0.679 177.272 176.600 -0.012 0.000 1.050 251 K CA 0.762 56.975 56.287 -0.124 0.000 0.945 251 K CB 0.092 32.455 32.500 -0.228 0.000 0.732 251 K HN 0.773 nan 8.250 nan 0.000 0.451 252 G N 1.823 110.620 108.800 -0.005 0.000 2.629 252 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.686 252 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.686 252 G C -3.176 171.713 174.900 -0.018 0.000 1.232 252 G CA -1.025 44.076 45.100 0.001 0.000 0.803 252 G HN -0.099 nan 8.290 nan 0.000 0.638 253 P HA 0.548 nan 4.420 nan 0.000 0.282 253 P C 0.752 177.824 177.300 -0.380 0.000 1.259 253 P CA 0.425 63.456 63.100 -0.116 0.000 0.826 253 P CB 1.750 33.427 31.700 -0.038 0.000 1.064 254 A N 1.614 124.177 122.820 -0.430 0.000 2.016 254 A HA 0.099 4.418 4.320 -0.001 0.000 0.217 254 A C 1.126 178.597 177.584 -0.187 0.000 1.162 254 A CA 1.629 53.257 52.037 -0.682 0.000 0.662 254 A CB -0.989 17.832 19.000 -0.299 0.000 0.812 254 A HN 0.722 nan 8.150 nan 0.000 0.450 255 T N -6.597 107.907 114.554 -0.083 0.000 2.887 255 T HA 0.537 4.887 4.350 -0.001 0.000 0.292 255 T C 0.728 175.349 174.700 -0.131 0.000 1.087 255 T CA 0.153 62.197 62.100 -0.094 0.000 1.009 255 T CB 1.251 69.935 68.868 -0.307 0.000 1.203 255 T HN 1.696 nan 8.240 nan 0.000 0.518 256 G N 0.984 109.585 108.800 -0.332 0.000 2.179 256 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.257 256 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.257 256 G C -0.101 174.655 174.900 -0.239 0.000 1.010 256 G CA 0.487 45.419 45.100 -0.280 0.000 0.736 256 G HN 1.214 nan 8.290 nan 0.000 0.513 257 F N 0.353 120.231 119.950 -0.120 0.000 2.362 257 F HA 0.816 5.343 4.527 -0.001 0.000 0.311 257 F C 0.934 176.677 175.800 -0.095 0.000 1.161 257 F CA -0.800 57.137 58.000 -0.106 0.000 1.085 257 F CB -0.091 38.833 39.000 -0.127 0.000 1.311 257 F HN 0.277 nan 8.300 nan 0.000 0.524 258 T N -3.099 111.576 114.554 0.200 0.000 2.847 258 T HA 0.266 4.615 4.350 -0.001 0.000 0.279 258 T C 1.244 176.020 174.700 0.128 0.000 0.984 258 T CA 0.048 62.201 62.100 0.089 0.000 0.988 258 T CB 1.073 69.996 68.868 0.092 0.000 1.040 258 T HN 0.929 nan 8.240 nan 0.000 0.528 259 T N -1.584 112.977 114.554 0.012 0.000 2.833 259 T HA -0.136 4.213 4.350 -0.001 0.000 0.269 259 T C 1.307 176.103 174.700 0.161 0.000 1.054 259 T CA 1.354 63.430 62.100 -0.040 0.000 1.135 259 T CB -0.676 68.237 68.868 0.074 0.000 0.869 259 T HN 0.587 nan 8.240 nan 0.000 0.466 260 D N 1.545 122.098 120.400 0.255 0.000 2.117 260 D HA -0.050 4.589 4.640 -0.001 0.000 0.197 260 D C 2.265 178.722 176.300 0.262 0.000 0.987 260 D CA 1.130 55.329 54.000 0.332 0.000 0.829 260 D CB -0.263 40.676 40.800 0.231 0.000 0.961 260 D HN 0.643 nan 8.370 nan 0.000 0.460 261 E N -0.152 120.158 120.200 0.184 0.000 2.153 261 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 261 E C 1.943 178.549 176.600 0.009 0.000 0.988 261 E CA 0.281 56.733 56.400 0.087 0.000 0.811 261 E CB -0.082 29.654 29.700 0.061 0.000 0.746 261 E HN 0.438 nan 8.360 nan 0.000 0.466 262 W N 0.749 121.965 121.300 -0.139 0.000 2.332 262 W HA -0.228 4.431 4.660 -0.001 0.000 0.321 262 W C 1.218 177.665 176.519 -0.120 0.000 1.219 262 W CA 1.427 58.620 57.345 -0.253 0.000 1.277 262 W CB -0.740 28.459 29.460 -0.436 0.000 1.161 262 W HN 0.153 nan 8.180 nan 0.000 0.476 263 W N 0.454 121.982 121.300 0.380 0.000 2.358 263 W HA -0.184 4.476 4.660 -0.001 0.000 0.303 263 W C 2.492 179.060 176.519 0.083 0.000 1.208 263 W CA 1.059 58.556 57.345 0.254 0.000 1.274 263 W CB -1.085 28.549 29.460 0.290 0.000 1.138 263 W HN -0.357 nan 8.180 nan 0.000 0.515 264 V N 0.394 120.479 119.914 0.285 0.000 2.295 264 V HA -0.316 3.803 4.120 -0.001 0.000 0.246 264 V C 2.130 178.265 176.094 0.067 0.000 1.049 264 V CA 2.410 64.802 62.300 0.153 0.000 1.024 264 V CB -1.356 30.537 31.823 0.116 0.000 0.648 264 V HN 0.208 nan 8.190 nan 0.000 0.447 265 T N 0.511 115.054 114.554 -0.019 0.000 2.684 265 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 265 T C 1.858 176.513 174.700 -0.074 0.000 1.036 265 T CA 1.637 63.690 62.100 -0.079 0.000 1.148 265 T CB -0.298 68.445 68.868 -0.209 0.000 0.863 265 T HN 0.305 nan 8.240 nan 0.000 0.436 266 L N 0.342 121.488 121.223 -0.129 0.000 2.093 266 L HA -0.029 4.311 4.340 -0.001 0.000 0.208 266 L C 2.638 179.541 176.870 0.054 0.000 1.085 266 L CA 1.043 55.834 54.840 -0.083 0.000 0.755 266 L CB -0.447 41.539 42.059 -0.122 0.000 0.904 266 L HN 0.170 nan 8.230 nan 0.000 0.435 267 K N 0.995 121.460 120.400 0.108 0.000 2.057 267 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 267 K C 2.026 178.714 176.600 0.148 0.000 1.050 267 K CA 1.508 57.874 56.287 0.131 0.000 0.935 267 K CB 0.000 32.580 32.500 0.133 0.000 0.715 267 K HN 0.080 nan 8.250 nan 0.000 0.439 268 K N -0.343 120.140 120.400 0.138 0.000 2.148 268 K HA -0.033 4.287 4.320 -0.001 0.000 0.204 268 K C 2.065 178.871 176.600 0.343 0.000 1.050 268 K CA 1.028 57.446 56.287 0.219 0.000 0.942 268 K CB -0.148 32.446 32.500 0.158 0.000 0.724 268 K HN 0.224 nan 8.250 nan 0.000 0.446 269 A N 1.458 124.397 122.820 0.198 0.000 1.902 269 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 269 A C 2.007 179.700 177.584 0.182 0.000 1.181 269 A CA 1.204 53.351 52.037 0.184 0.000 0.623 269 A CB -0.574 18.457 19.000 0.051 0.000 0.818 269 A HN 0.174 nan 8.150 nan 0.000 0.443 270 L N -1.519 119.787 121.223 0.139 0.000 2.465 270 L HA 0.008 4.347 4.340 -0.001 0.000 0.224 270 L C 1.380 178.326 176.870 0.126 0.000 1.145 270 L CA -0.230 54.664 54.840 0.091 0.000 0.834 270 L CB -0.517 41.594 42.059 0.086 0.000 0.944 270 L HN 0.452 nan 8.230 nan 0.000 0.451 274 R N 1.028 121.351 120.500 -0.294 0.000 2.081 274 R HA -0.001 4.339 4.340 -0.001 0.000 0.235 274 R C 2.158 178.230 176.300 -0.381 0.000 1.131 274 R CA 1.426 57.328 56.100 -0.329 0.000 0.960 274 R CB -0.284 29.781 30.300 -0.391 0.000 0.856 274 R HN 0.255 nan 8.270 nan 0.000 0.436 275 L N 0.040 120.922 121.223 -0.569 0.000 1.989 275 L HA -0.201 4.139 4.340 -0.001 0.000 0.211 275 L C 2.495 179.334 176.870 -0.050 0.000 1.071 275 L CA 1.323 55.981 54.840 -0.303 0.000 0.749 275 L CB -0.531 41.275 42.059 -0.421 0.000 0.890 275 L HN 0.106 nan 8.230 nan 0.000 0.431 276 V N -0.516 119.294 119.914 -0.173 0.000 2.332 276 V HA -0.302 3.817 4.120 -0.001 0.000 0.248 276 V C 2.566 178.524 176.094 -0.227 0.000 1.055 276 V CA 2.366 64.543 62.300 -0.204 0.000 1.038 276 V CB -0.783 30.798 31.823 -0.403 0.000 0.651 276 V HN 0.508 nan 8.190 nan 0.000 0.450 277 T N -0.318 114.079 114.554 -0.262 0.000 2.674 277 T HA -0.211 4.138 4.350 -0.001 0.000 0.265 277 T C 1.932 176.579 174.700 -0.088 0.000 1.039 277 T CA 1.627 63.667 62.100 -0.101 0.000 1.150 277 T CB -0.206 68.647 68.868 -0.025 0.000 0.864 277 T HN 0.485 nan 8.240 nan 0.000 0.427 278 K N -0.055 120.252 120.400 -0.154 0.000 2.103 278 K HA -0.039 4.280 4.320 -0.001 0.000 0.204 278 K C 2.327 178.794 176.600 -0.221 0.000 1.052 278 K CA 0.882 56.996 56.287 -0.288 0.000 0.945 278 K CB -0.185 31.978 32.500 -0.562 0.000 0.722 278 K HN 0.451 nan 8.250 nan 0.000 0.443 279 H N 0.434 119.528 119.070 0.039 0.000 2.387 279 H HA -0.002 4.553 4.556 -0.001 0.000 0.299 279 H C 2.230 177.585 175.328 0.045 0.000 1.090 279 H CA 1.209 57.321 56.048 0.106 0.000 1.332 279 H CB 0.109 29.938 29.762 0.111 0.000 1.386 279 H HN 0.091 nan 8.280 nan 0.000 0.516 280 S N 0.535 116.304 115.700 0.116 0.000 2.382 280 S HA -0.103 4.366 4.470 -0.001 0.000 0.228 280 S C 2.441 177.075 174.600 0.056 0.000 1.027 280 S CA 0.790 59.037 58.200 0.079 0.000 0.991 280 S CB -0.176 63.061 63.200 0.062 0.000 0.823 280 S HN 0.524 nan 8.310 nan 0.000 0.469 281 A N 1.154 123.982 122.820 0.013 0.000 1.933 281 A HA 0.056 4.375 4.320 -0.001 0.000 0.218 281 A C 1.168 178.756 177.584 0.006 0.000 1.175 281 A CA 0.759 52.788 52.037 -0.013 0.000 0.628 281 A CB -0.552 18.409 19.000 -0.066 0.000 0.814 281 A HN 0.430 nan 8.150 nan 0.000 0.444 285 V N 0.901 120.764 119.914 -0.086 0.000 2.343 285 V HA -0.195 3.924 4.120 -0.001 0.000 0.247 285 V C 1.771 177.614 176.094 -0.418 0.000 1.051 285 V CA 1.703 63.823 62.300 -0.301 0.000 1.036 285 V CB -0.484 31.060 31.823 -0.465 0.000 0.654 285 V HN 0.237 nan 8.190 nan 0.000 0.451 286 Y N -1.106 119.193 120.300 -0.002 0.000 2.478 286 Y HA 0.273 4.822 4.550 -0.001 0.000 0.261 286 Y C 0.923 176.815 175.900 -0.013 0.000 1.127 286 Y CA 0.312 58.407 58.100 -0.008 0.000 1.288 286 Y CB 0.441 38.897 38.460 -0.007 0.000 1.084 286 Y HN 0.285 nan 8.280 nan 0.000 0.530 287 D N -0.304 120.155 120.400 0.100 0.000 2.846 287 D HA 0.162 4.801 4.640 -0.001 0.000 0.279 287 D C -2.252 174.070 176.300 0.035 0.000 1.222 287 D CA -1.873 52.164 54.000 0.063 0.000 0.769 287 D CB 0.759 41.605 40.800 0.077 0.000 1.299 287 D HN -0.105 nan 8.370 nan 0.000 0.537 288 P HA -0.060 nan 4.420 nan 0.000 0.220 288 P C 0.468 177.774 177.300 0.010 0.000 1.148 288 P CA 0.753 63.854 63.100 0.001 0.000 0.803 288 P CB 0.502 32.192 31.700 -0.016 0.000 0.782 289 D N 0.279 120.687 120.400 0.012 0.000 2.363 289 D HA -0.013 4.627 4.640 -0.001 0.000 0.220 289 D C 0.521 176.839 176.300 0.030 0.000 0.994 289 D CA 0.307 54.317 54.000 0.016 0.000 0.890 289 D CB -0.302 40.505 40.800 0.010 0.000 0.906 289 D HN 0.211 nan 8.370 nan 0.000 0.530 290 K N -0.170 120.253 120.400 0.038 0.000 3.117 290 K HA -0.263 4.057 4.320 -0.001 0.000 0.269 290 K C 1.120 177.762 176.600 0.071 0.000 1.098 290 K CA 0.342 56.662 56.287 0.055 0.000 0.785 290 K CB -1.326 31.205 32.500 0.052 0.000 1.242 290 K HN 0.160 nan 8.250 nan 0.000 0.491 291 R N 1.096 121.634 120.500 0.064 0.000 2.081 291 R HA -0.005 4.334 4.340 -0.001 0.000 0.235 291 R C 0.766 177.161 176.300 0.158 0.000 1.131 291 R CA 1.087 57.239 56.100 0.086 0.000 0.960 291 R CB 0.121 30.430 30.300 0.016 0.000 0.856 291 R HN 0.329 nan 8.270 nan 0.000 0.436 292 I N 2.741 123.383 120.570 0.121 0.000 2.371 292 I HA 0.020 4.189 4.170 -0.001 0.000 0.290 292 I C -0.529 175.666 176.117 0.131 0.000 1.028 292 I CA -0.577 60.813 61.300 0.149 0.000 1.345 292 I CB 1.124 39.175 38.000 0.085 0.000 1.407 292 I HN 0.099 nan 8.210 nan 0.000 0.501 293 D N 6.019 126.508 120.400 0.148 0.000 2.424 293 D HA 0.148 4.788 4.640 -0.001 0.000 0.244 293 D C -0.266 176.067 176.300 0.054 0.000 1.134 293 D CA -0.192 53.863 54.000 0.092 0.000 0.881 293 D CB 1.008 41.872 40.800 0.106 0.000 1.191 293 D HN 0.138 nan 8.370 nan 0.000 0.445 294 L N 2.963 124.197 121.223 0.019 0.000 2.276 294 L HA 0.392 4.732 4.340 -0.001 0.000 0.286 294 L C -0.771 176.059 176.870 -0.066 0.000 1.061 294 L CA -0.074 54.758 54.840 -0.013 0.000 0.807 294 L CB 0.431 42.480 42.059 -0.017 0.000 1.177 294 L HN 0.315 nan 8.230 nan 0.000 0.429 295 I N 6.072 126.606 120.570 -0.060 0.000 2.411 295 I HA 0.234 4.403 4.170 -0.001 0.000 0.284 295 I C -0.579 175.494 176.117 -0.073 0.000 1.012 295 I CA -0.715 60.533 61.300 -0.087 0.000 1.119 295 I CB 1.769 39.747 38.000 -0.036 0.000 1.261 295 I HN 0.229 nan 8.210 nan 0.000 0.448 296 V N 5.614 125.422 119.914 -0.176 0.000 2.162 296 V HA 0.040 4.159 4.120 -0.001 0.000 0.255 296 V C 0.660 176.762 176.094 0.013 0.000 1.304 296 V CA -0.244 61.995 62.300 -0.102 0.000 1.198 296 V CB -0.229 31.424 31.823 -0.284 0.000 1.333 296 V HN 0.780 nan 8.190 nan 0.000 0.493 297 D N 1.453 121.875 120.400 0.038 0.000 2.339 297 D HA 0.026 4.665 4.640 -0.001 0.000 0.217 297 D C 0.321 176.416 176.300 -0.340 0.000 1.050 297 D CA 0.027 53.992 54.000 -0.059 0.000 0.856 297 D CB 0.422 41.233 40.800 0.017 0.000 0.922 297 D HN 0.600 nan 8.370 nan 0.000 0.518 298 E N 0.504 120.462 120.200 -0.404 0.000 2.281 298 E HA 0.387 4.736 4.350 -0.001 0.000 0.266 298 E C -0.919 175.503 176.600 -0.298 0.000 0.893 298 E CA -0.920 55.171 56.400 -0.514 0.000 0.798 298 E CB 1.892 31.034 29.700 -0.930 0.000 1.245 298 E HN 0.301 nan 8.360 nan 0.000 0.410 299 W N 1.792 122.868 121.300 -0.373 0.000 3.025 299 W HA 0.770 5.429 4.660 -0.001 0.000 0.343 299 W C -0.464 175.957 176.519 -0.163 0.000 1.246 299 W CA -0.484 56.671 57.345 -0.317 0.000 1.178 299 W CB 0.631 30.081 29.460 -0.016 0.000 1.463 299 W HN 0.804 nan 8.180 nan 0.000 0.578 300 G N 0.835 109.667 108.800 0.053 0.000 2.354 300 G HA2 0.336 4.295 3.960 -0.001 0.000 0.582 300 G HA3 0.336 4.295 3.960 -0.001 0.000 0.582 300 G C -0.640 174.268 174.900 0.014 0.000 1.316 300 G CA -0.322 44.709 45.100 -0.115 0.000 0.995 300 G HN 1.192 nan 8.290 nan 0.000 0.573 301 T N -1.944 112.523 114.554 -0.145 0.000 2.913 301 T HA 0.538 4.888 4.350 -0.001 0.000 0.297 301 T C -0.557 173.917 174.700 -0.377 0.000 1.029 301 T CA -0.133 61.772 62.100 -0.325 0.000 1.104 301 T CB 1.865 70.349 68.868 -0.639 0.000 0.964 301 T HN 1.326 nan 8.240 nan 0.000 0.532 302 W N 4.032 124.953 121.300 -0.631 0.000 2.687 302 W HA 0.498 5.158 4.660 -0.001 0.000 0.328 302 W C -2.350 173.832 176.519 -0.562 0.000 1.012 302 W CA -2.090 54.916 57.345 -0.564 0.000 1.262 302 W CB 0.738 29.928 29.460 -0.449 0.000 1.331 302 W HN 0.741 nan 8.180 nan 0.000 0.433 303 Y N 2.397 122.794 120.300 0.161 0.000 2.631 303 Y HA 0.358 4.907 4.550 -0.001 0.000 0.328 303 Y C 0.996 176.919 175.900 0.037 0.000 1.118 303 Y CA -0.937 57.175 58.100 0.020 0.000 1.206 303 Y CB 0.492 38.925 38.460 -0.046 0.000 1.337 303 Y HN 0.148 nan 8.280 nan 0.000 0.515 304 D N 0.805 121.292 120.400 0.145 0.000 2.423 304 D HA 0.191 4.830 4.640 -0.001 0.000 0.238 304 D C 0.058 176.419 176.300 0.101 0.000 1.142 304 D CA 0.061 54.100 54.000 0.066 0.000 0.884 304 D CB 0.953 41.765 40.800 0.020 0.000 1.199 304 D HN 0.391 nan 8.370 nan 0.000 0.438 305 V N -0.468 119.500 119.914 0.090 0.000 3.237 305 V HA 0.086 4.206 4.120 -0.001 0.000 0.305 305 V C 0.643 176.798 176.094 0.102 0.000 1.096 305 V CA -0.699 61.662 62.300 0.103 0.000 1.130 305 V CB 0.532 32.426 31.823 0.119 0.000 1.048 305 V HN 0.273 nan 8.190 nan 0.000 0.484 306 E N 2.533 122.816 120.200 0.139 0.000 2.452 306 E HA 0.191 4.540 4.350 -0.001 0.000 0.261 306 E C -2.311 174.358 176.600 0.114 0.000 0.987 306 E CA -1.826 54.653 56.400 0.131 0.000 0.926 306 E CB -0.103 29.734 29.700 0.229 0.000 0.934 306 E HN 0.651 nan 8.360 nan 0.000 0.452 307 P HA -0.040 nan 4.420 nan 0.000 0.261 307 P C 0.762 178.105 177.300 0.072 0.000 1.173 307 P CA 1.243 64.380 63.100 0.062 0.000 0.760 307 P CB 0.366 32.090 31.700 0.039 0.000 0.783 308 G N 1.603 110.448 108.800 0.075 0.000 2.205 308 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.261 308 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.261 308 G C 0.393 175.383 174.900 0.150 0.000 0.980 308 G CA 0.444 45.589 45.100 0.076 0.000 0.632 308 G HN 0.825 nan 8.290 nan 0.000 0.533 309 T N -1.392 113.256 114.554 0.157 0.000 2.902 309 T HA 0.568 4.917 4.350 -0.001 0.000 0.280 309 T C 0.243 175.043 174.700 0.168 0.000 0.992 309 T CA -0.079 62.113 62.100 0.154 0.000 1.015 309 T CB 1.727 70.651 68.868 0.093 0.000 1.044 309 T HN 0.323 nan 8.240 nan 0.000 0.520 310 N N 2.558 121.183 118.700 -0.124 0.000 2.438 310 N HA 0.145 4.885 4.740 -0.001 0.000 0.267 310 N C -1.229 174.167 175.510 -0.190 0.000 1.222 310 N CA -2.160 50.587 53.050 -0.506 0.000 0.930 310 N CB 0.897 38.477 38.487 -1.511 0.000 1.083 310 N HN 0.400 nan 8.380 nan 0.000 0.476 311 P HA -0.065 nan 4.420 nan 0.000 0.220 311 P C 1.045 178.384 177.300 0.066 0.000 1.148 311 P CA 0.927 64.055 63.100 0.047 0.000 0.803 311 P CB 0.044 31.790 31.700 0.078 0.000 0.782 312 G N -1.439 107.374 108.800 0.022 0.000 2.534 312 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.217 312 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.217 312 G C 0.972 176.017 174.900 0.240 0.000 1.128 312 G CA 0.056 45.226 45.100 0.116 0.000 0.784 312 G HN 0.130 nan 8.290 nan 0.000 0.542 313 F N -0.200 119.671 119.950 -0.131 0.000 2.698 313 F HA 0.372 4.898 4.527 -0.001 0.000 0.295 313 F C 1.607 177.350 175.800 -0.096 0.000 1.124 313 F CA -0.903 57.023 58.000 -0.123 0.000 1.426 313 F CB 0.020 38.935 39.000 -0.141 0.000 1.120 313 F HN -0.068 nan 8.300 nan 0.000 0.583 314 L N -1.148 120.130 121.223 0.092 0.000 4.040 314 L HA -0.323 4.017 4.340 -0.001 0.000 0.410 314 L C -0.438 176.403 176.870 -0.048 0.000 1.187 314 L CA 0.117 54.917 54.840 -0.067 0.000 0.956 314 L CB -2.486 39.400 42.059 -0.289 0.000 2.022 314 L HN 0.139 nan 8.230 nan 0.000 0.897 315 Y N 3.459 123.739 120.300 -0.034 0.000 2.480 315 Y HA 0.374 4.923 4.550 -0.001 0.000 0.341 315 Y C 0.827 176.720 175.900 -0.012 0.000 1.031 315 Y CA 0.208 58.294 58.100 -0.023 0.000 1.295 315 Y CB 0.564 39.047 38.460 0.039 0.000 1.162 315 Y HN 0.290 nan 8.280 nan 0.000 0.523 316 Q N 4.617 124.151 119.800 -0.443 0.000 2.421 316 Q HA 0.422 4.761 4.340 -0.001 0.000 0.280 316 Q C -1.085 174.676 176.000 -0.399 0.000 1.085 316 Q CA -1.330 54.314 55.803 -0.264 0.000 0.807 316 Q CB 1.972 30.695 28.738 -0.026 0.000 1.405 316 Q HN 0.520 nan 8.270 nan 0.000 0.419 317 Q N 1.143 120.797 119.800 -0.245 0.000 2.631 317 Q HA 0.260 4.599 4.340 -0.001 0.000 0.210 317 Q C -0.683 175.247 176.000 -0.117 0.000 1.094 317 Q CA 0.159 55.825 55.803 -0.228 0.000 1.055 317 Q CB 0.581 29.161 28.738 -0.263 0.000 1.261 317 Q HN 0.723 nan 8.270 nan 0.000 0.615 318 N N 0.070 118.720 118.700 -0.083 0.000 2.549 318 N HA 0.144 4.884 4.740 -0.001 0.000 0.290 318 N C -1.500 174.050 175.510 0.068 0.000 1.122 318 N CA 0.023 53.074 53.050 0.002 0.000 0.885 318 N CB 1.185 39.648 38.487 -0.040 0.000 1.455 318 N HN 0.577 nan 8.380 nan 0.000 0.521 319 S N 2.387 118.153 115.700 0.111 0.000 2.798 319 S HA 0.422 4.892 4.470 -0.001 0.000 0.312 319 S C 1.331 176.039 174.600 0.180 0.000 1.122 319 S CA -0.632 57.675 58.200 0.179 0.000 0.949 319 S CB 1.023 64.366 63.200 0.239 0.000 1.235 319 S HN 0.316 nan 8.310 nan 0.000 0.552 320 I N 1.244 121.947 120.570 0.222 0.000 2.423 320 I HA -0.090 4.080 4.170 -0.001 0.000 0.254 320 I C 2.647 178.902 176.117 0.230 0.000 1.151 320 I CA 1.396 62.834 61.300 0.230 0.000 1.421 320 I CB -0.491 37.661 38.000 0.254 0.000 1.079 320 I HN 0.832 nan 8.210 nan 0.000 0.431 321 R N 0.383 121.034 120.500 0.252 0.000 2.081 321 R HA -0.190 4.149 4.340 -0.001 0.000 0.235 321 R C 1.873 178.095 176.300 -0.131 0.000 1.131 321 R CA 2.086 58.117 56.100 -0.115 0.000 0.960 321 R CB -0.437 29.767 30.300 -0.159 0.000 0.856 321 R HN 0.439 nan 8.270 nan 0.000 0.436 322 D N 0.258 120.661 120.400 0.005 0.000 2.117 322 D HA -0.150 4.490 4.640 -0.001 0.000 0.197 322 D C 1.793 178.100 176.300 0.013 0.000 0.987 322 D CA 1.367 55.379 54.000 0.019 0.000 0.829 322 D CB -0.138 40.699 40.800 0.063 0.000 0.961 322 D HN 0.411 nan 8.370 nan 0.000 0.460 323 A N 1.201 124.043 122.820 0.037 0.000 1.892 323 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 323 A C 2.384 179.943 177.584 -0.042 0.000 1.188 323 A CA 1.134 53.181 52.037 0.018 0.000 0.631 323 A CB -0.865 18.172 19.000 0.063 0.000 0.822 323 A HN 0.162 nan 8.150 nan 0.000 0.447 324 L N -0.760 120.437 121.223 -0.042 0.000 2.056 324 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 324 L C 2.545 179.348 176.870 -0.112 0.000 1.078 324 L CA 0.988 55.780 54.840 -0.079 0.000 0.749 324 L CB -0.424 41.582 42.059 -0.089 0.000 0.901 324 L HN 0.245 nan 8.230 nan 0.000 0.433 325 V N -0.043 119.809 119.914 -0.104 0.000 2.287 325 V HA -0.365 3.755 4.120 -0.001 0.000 0.248 325 V C 2.733 178.840 176.094 0.022 0.000 1.053 325 V CA 1.967 64.240 62.300 -0.043 0.000 1.027 325 V CB -1.040 30.779 31.823 -0.007 0.000 0.646 325 V HN 0.517 nan 8.190 nan 0.000 0.447 326 A N 0.413 123.270 122.820 0.061 0.000 1.865 326 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 326 A C 2.438 179.918 177.584 -0.173 0.000 1.191 326 A CA 2.164 54.279 52.037 0.131 0.000 0.623 326 A CB -1.364 17.698 19.000 0.104 0.000 0.826 326 A HN 0.543 nan 8.150 nan 0.000 0.444 327 G N -0.789 107.828 108.800 -0.305 0.000 2.418 327 G HA2 0.036 3.995 3.960 -0.001 0.000 0.217 327 G HA3 0.036 3.995 3.960 -0.001 0.000 0.217 327 G C 1.734 176.373 174.900 -0.435 0.000 1.158 327 G CA 1.455 46.285 45.100 -0.449 0.000 0.771 327 G HN 0.823 nan 8.290 nan 0.000 0.545 328 A N 0.245 122.876 122.820 -0.315 0.000 1.930 328 A HA 0.027 4.346 4.320 -0.001 0.000 0.217 328 A C 2.530 179.915 177.584 -0.330 0.000 1.175 328 A CA 2.373 54.249 52.037 -0.268 0.000 0.627 328 A CB -0.784 18.133 19.000 -0.139 0.000 0.815 328 A HN 0.294 nan 8.150 nan 0.000 0.443 329 T N 0.537 114.832 114.554 -0.432 0.000 2.777 329 T HA -0.045 4.304 4.350 -0.001 0.000 0.266 329 T C 1.823 175.854 174.700 -1.115 0.000 1.040 329 T CA 1.344 62.956 62.100 -0.813 0.000 1.141 329 T CB -0.403 67.870 68.868 -0.992 0.000 0.868 329 T HN 0.351 nan 8.240 nan 0.000 0.444 330 L N 0.310 121.063 121.223 -0.782 0.000 2.043 330 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 330 L C 2.584 179.099 176.870 -0.592 0.000 1.075 330 L CA 1.695 56.181 54.840 -0.589 0.000 0.752 330 L CB -0.759 41.111 42.059 -0.315 0.000 0.891 330 L HN 0.474 nan 8.230 nan 0.000 0.432 331 H N -0.575 118.144 119.070 -0.585 0.000 2.387 331 H HA -0.171 4.385 4.556 -0.001 0.000 0.299 331 H C 2.437 177.569 175.328 -0.327 0.000 1.099 331 H CA 1.258 56.990 56.048 -0.527 0.000 1.315 331 H CB 0.058 29.664 29.762 -0.260 0.000 1.380 331 H HN 0.310 nan 8.280 nan 0.000 0.513 332 I N 0.350 120.785 120.570 -0.224 0.000 2.179 332 I HA -0.290 3.879 4.170 -0.001 0.000 0.242 332 I C 1.800 177.943 176.117 0.044 0.000 1.088 332 I CA 1.010 62.230 61.300 -0.134 0.000 1.357 332 I CB -0.207 37.628 38.000 -0.276 0.000 1.051 332 I HN 0.146 nan 8.210 nan 0.000 0.409 333 F N 0.595 120.489 119.950 -0.094 0.000 2.134 333 F HA -0.204 4.322 4.527 -0.001 0.000 0.299 333 F C 2.571 178.432 175.800 0.101 0.000 1.097 333 F CA 1.256 59.232 58.000 -0.040 0.000 1.264 333 F CB -1.622 37.279 39.000 -0.165 0.000 1.001 333 F HN 0.186 nan 8.300 nan 0.000 0.479 334 H N -0.088 119.050 119.070 0.113 0.000 2.289 334 H HA -0.170 4.386 4.556 -0.001 0.000 0.294 334 H C 2.352 177.669 175.328 -0.018 0.000 1.095 334 H CA 1.343 57.399 56.048 0.014 0.000 1.256 334 H CB -0.183 29.520 29.762 -0.099 0.000 1.359 334 H HN 0.173 nan 8.280 nan 0.000 0.487 335 R N 0.234 120.788 120.500 0.090 0.000 2.159 335 R HA -0.094 4.245 4.340 -0.001 0.000 0.237 335 R C 0.732 176.902 176.300 -0.215 0.000 1.131 335 R CA 0.899 56.940 56.100 -0.098 0.000 0.982 335 R CB -0.061 30.128 30.300 -0.185 0.000 0.868 335 R HN 0.585 nan 8.270 nan 0.000 0.453 336 H N -0.413 118.696 119.070 0.065 0.000 2.488 336 H HA 0.085 4.640 4.556 -0.001 0.000 0.294 336 H C 1.495 176.852 175.328 0.049 0.000 1.088 336 H CA -0.122 55.959 56.048 0.054 0.000 1.086 336 H CB 0.220 30.020 29.762 0.064 0.000 1.569 336 H HN 0.335 nan 8.280 nan 0.000 0.548 337 C N 0.143 119.509 119.300 0.110 0.000 2.511 337 C HA -0.026 4.434 4.460 -0.001 0.000 0.277 337 C C 1.919 176.938 174.990 0.049 0.000 1.451 337 C CA 0.146 59.209 59.018 0.075 0.000 1.735 337 C CB -0.643 27.124 27.740 0.045 0.000 1.704 337 C HN 0.492 nan 8.230 nan 0.000 0.571 338 D N 1.019 121.449 120.400 0.051 0.000 2.317 338 D HA -0.134 4.505 4.640 -0.001 0.000 0.211 338 D C 2.022 178.356 176.300 0.057 0.000 0.966 338 D CA 0.980 55.007 54.000 0.044 0.000 0.876 338 D CB -0.285 40.536 40.800 0.035 0.000 0.927 338 D HN 0.591 nan 8.370 nan 0.000 0.519 339 R N 0.143 120.686 120.500 0.072 0.000 2.428 339 R HA 0.195 4.534 4.340 -0.001 0.000 0.193 339 R C -0.203 176.119 176.300 0.038 0.000 0.852 339 R CA 0.147 56.286 56.100 0.065 0.000 1.055 339 R CB 0.195 30.542 30.300 0.080 0.000 1.343 339 R HN -0.086 nan 8.270 nan 0.000 0.655 340 V N 3.538 123.473 119.914 0.035 0.000 2.455 340 V HA 0.395 4.514 4.120 -0.001 0.000 0.273 340 V C 0.146 176.207 176.094 -0.055 0.000 1.045 340 V CA 0.072 62.347 62.300 -0.042 0.000 0.976 340 V CB 0.945 32.731 31.823 -0.062 0.000 0.993 340 V HN 0.287 nan 8.190 nan 0.000 0.475 344 N N 0.621 119.462 118.700 0.234 0.000 2.558 344 N HA 0.446 5.185 4.740 -0.001 0.000 0.285 344 N C -0.800 174.684 175.510 -0.043 0.000 1.112 344 N CA -0.269 52.842 53.050 0.102 0.000 0.857 344 N CB 1.880 40.394 38.487 0.045 0.000 1.376 344 N HN 0.771 nan 8.380 nan 0.000 0.526 345 I N 1.369 121.737 120.570 -0.336 0.000 2.634 345 I HA 0.289 4.459 4.170 -0.001 0.000 0.284 345 I C 0.200 176.065 176.117 -0.421 0.000 1.124 345 I CA -0.311 60.427 61.300 -0.936 0.000 1.417 345 I CB 0.629 37.978 38.000 -1.085 0.000 1.396 345 I HN 0.612 nan 8.210 nan 0.000 0.571 346 A N 7.903 130.500 122.820 -0.372 0.000 2.671 346 A HA 0.396 4.715 4.320 -0.001 0.000 0.306 346 A C -0.369 177.041 177.584 -0.290 0.000 1.473 346 A CA -0.006 51.981 52.037 -0.083 0.000 1.155 346 A CB -0.245 18.866 19.000 0.185 0.000 1.123 346 A HN 0.806 nan 8.150 nan 0.000 0.545 347 Q N 1.016 120.606 119.800 -0.350 0.000 1.944 347 Q HA -0.121 4.218 4.340 -0.001 0.000 0.260 347 Q C -0.167 175.646 176.000 -0.313 0.000 0.624 347 Q CA -0.116 55.416 55.803 -0.451 0.000 0.411 347 Q CB -1.069 27.319 28.738 -0.584 0.000 0.429 347 Q HN 0.709 nan 8.270 nan 0.000 0.323 348 L N 2.506 123.565 121.223 -0.273 0.000 2.012 348 L HA -0.065 4.275 4.340 -0.001 0.000 0.210 348 L C 0.471 177.214 176.870 -0.211 0.000 1.073 348 L CA 2.049 56.761 54.840 -0.213 0.000 0.748 348 L CB 0.498 42.440 42.059 -0.196 0.000 0.891 348 L HN 0.474 nan 8.230 nan 0.000 0.431 349 V N 0.051 119.835 119.914 -0.217 0.000 2.733 349 V HA 0.369 4.488 4.120 -0.001 0.000 0.306 349 V C -0.041 175.971 176.094 -0.137 0.000 1.084 349 V CA -0.817 61.387 62.300 -0.160 0.000 0.905 349 V CB 1.584 33.319 31.823 -0.147 0.000 1.010 349 V HN 0.334 nan 8.190 nan 0.000 0.424 350 N N 1.210 119.880 118.700 -0.052 0.000 2.732 350 N HA -0.160 4.579 4.740 -0.001 0.000 0.250 350 N C -0.397 175.110 175.510 -0.005 0.000 1.097 350 N CA 1.234 54.338 53.050 0.090 0.000 0.812 350 N CB -0.642 37.933 38.487 0.148 0.000 1.148 350 N HN 0.565 nan 8.380 nan 0.000 0.572 351 V N 0.840 120.645 119.914 -0.183 0.000 2.569 351 V HA 0.435 4.554 4.120 -0.001 0.000 0.301 351 V C 1.135 177.014 176.094 -0.359 0.000 1.044 351 V CA -0.704 61.433 62.300 -0.271 0.000 0.874 351 V CB 1.943 33.562 31.823 -0.339 0.000 1.002 351 V HN 0.245 nan 8.190 nan 0.000 0.424 352 L N 1.876 122.850 121.223 -0.415 0.000 6.519 352 L HA -0.289 4.050 4.340 -0.001 0.000 0.053 352 L C 1.091 177.747 176.870 -0.357 0.000 1.992 352 L CA 1.248 55.803 54.840 -0.476 0.000 1.661 352 L CB -0.467 41.239 42.059 -0.588 0.000 2.744 352 L HN 0.783 nan 8.230 nan 0.000 1.041 353 Q N 0.963 120.562 119.800 -0.335 0.000 3.181 353 Q HA 0.223 4.563 4.340 -0.001 0.000 0.293 353 Q C -0.619 175.230 176.000 -0.251 0.000 1.406 353 Q CA -0.189 55.451 55.803 -0.272 0.000 1.026 353 Q CB 0.362 28.933 28.738 -0.279 0.000 1.630 353 Q HN 0.432 nan 8.270 nan 0.000 0.553 354 S N -0.017 115.544 115.700 -0.231 0.000 2.592 354 S HA 0.039 4.508 4.470 -0.001 0.000 0.271 354 S C 1.322 175.833 174.600 -0.150 0.000 1.326 354 S CA -0.421 57.656 58.200 -0.205 0.000 1.024 354 S CB 1.541 64.624 63.200 -0.196 0.000 0.921 354 S HN 0.537 nan 8.310 nan 0.000 0.527 355 V N -0.361 119.470 119.914 -0.139 0.000 3.235 355 V HA 0.401 4.520 4.120 -0.001 0.000 0.259 355 V C 0.332 176.392 176.094 -0.056 0.000 1.133 355 V CA 0.826 63.096 62.300 -0.050 0.000 1.128 355 V CB -0.752 31.044 31.823 -0.045 0.000 0.757 355 V HN 0.650 nan 8.190 nan 0.000 0.469 356 I N 0.481 120.986 120.570 -0.108 0.000 2.722 356 I HA 0.516 4.685 4.170 -0.001 0.000 0.295 356 I C -1.108 174.971 176.117 -0.063 0.000 1.161 356 I CA -0.587 60.645 61.300 -0.114 0.000 1.032 356 I CB 2.616 40.544 38.000 -0.121 0.000 1.244 356 I HN 0.028 nan 8.210 nan 0.000 0.421 357 L N 4.201 125.418 121.223 -0.009 0.000 2.354 357 L HA 0.740 5.079 4.340 -0.001 0.000 0.269 357 L C -0.249 176.829 176.870 0.348 0.000 1.005 357 L CA -0.593 54.341 54.840 0.157 0.000 0.819 357 L CB 2.360 44.492 42.059 0.122 0.000 1.311 357 L HN 0.624 nan 8.230 nan 0.000 0.423 358 T N -1.922 112.869 114.554 0.396 0.000 2.906 358 T HA 0.573 4.922 4.350 -0.001 0.000 0.295 358 T C -0.867 173.789 174.700 -0.074 0.000 1.075 358 T CA -0.761 61.480 62.100 0.235 0.000 1.005 358 T CB 2.513 71.406 68.868 0.041 0.000 1.136 358 T HN 0.686 nan 8.240 nan 0.000 0.498 359 E N 0.668 120.546 120.200 -0.537 0.000 2.528 359 E HA 0.468 4.817 4.350 -0.001 0.000 0.277 359 E C 0.791 177.151 176.600 -0.401 0.000 0.980 359 E CA -0.005 55.998 56.400 -0.661 0.000 0.796 359 E CB 0.331 29.211 29.700 -1.367 0.000 1.427 359 E HN 1.275 nan 8.360 nan 0.000 0.394 360 G N 4.431 113.092 108.800 -0.230 0.000 2.651 360 G HA2 -0.470 3.490 3.960 -0.001 0.000 0.315 360 G HA3 -0.470 3.490 3.960 -0.001 0.000 0.315 360 G C 0.819 175.638 174.900 -0.134 0.000 1.258 360 G CA 0.815 45.823 45.100 -0.154 0.000 1.002 360 G HN 0.727 nan 8.290 nan 0.000 0.551 361 E N 0.984 121.116 120.200 -0.113 0.000 2.347 361 E HA 0.052 4.401 4.350 -0.001 0.000 0.196 361 E C 1.571 178.126 176.600 -0.076 0.000 1.008 361 E CA 0.900 57.251 56.400 -0.083 0.000 0.852 361 E CB -0.018 29.643 29.700 -0.065 0.000 0.783 361 E HN 0.664 nan 8.360 nan 0.000 0.505 365 L N 1.633 122.713 121.223 -0.238 0.000 2.275 365 L HA 0.743 5.083 4.340 -0.001 0.000 0.288 365 L C 0.677 177.405 176.870 -0.236 0.000 1.046 365 L CA -0.446 54.153 54.840 -0.401 0.000 0.805 365 L CB 1.704 43.367 42.059 -0.660 0.000 1.193 365 L HN 0.935 nan 8.230 nan 0.000 0.426 366 T N -0.489 113.965 114.554 -0.167 0.000 2.816 366 T HA 0.283 4.632 4.350 -0.001 0.000 0.282 366 T C -1.956 172.754 174.700 0.017 0.000 0.993 366 T CA -1.762 60.306 62.100 -0.053 0.000 0.994 366 T CB 1.305 70.148 68.868 -0.042 0.000 1.025 366 T HN 0.296 nan 8.240 nan 0.000 0.529 367 P HA -0.024 nan 4.420 nan 0.000 0.220 367 P C 1.539 178.937 177.300 0.162 0.000 1.148 367 P CA 0.950 64.186 63.100 0.226 0.000 0.803 367 P CB -0.238 31.570 31.700 0.180 0.000 0.782 368 T N -1.466 113.153 114.554 0.109 0.000 2.746 368 T HA -0.220 4.129 4.350 -0.001 0.000 0.267 368 T C 1.566 176.386 174.700 0.199 0.000 1.039 368 T CA 1.214 63.397 62.100 0.138 0.000 1.142 368 T CB -1.169 67.748 68.868 0.082 0.000 0.866 368 T HN 0.111 nan 8.240 nan 0.000 0.444 369 Y N 1.882 122.159 120.300 -0.038 0.000 2.114 369 Y HA -0.319 4.230 4.550 -0.001 0.000 0.282 369 Y C 2.578 178.476 175.900 -0.005 0.000 1.165 369 Y CA 1.824 59.871 58.100 -0.088 0.000 1.148 369 Y CB -0.427 37.858 38.460 -0.292 0.000 0.972 369 Y HN 0.357 nan 8.280 nan 0.000 0.504 370 H N -1.198 118.013 119.070 0.236 0.000 2.387 370 H HA -0.135 4.420 4.556 -0.001 0.000 0.299 370 H C 2.528 177.866 175.328 0.017 0.000 1.090 370 H CA 1.695 57.827 56.048 0.140 0.000 1.332 370 H CB -0.729 29.133 29.762 0.166 0.000 1.386 370 H HN 0.350 nan 8.280 nan 0.000 0.516 371 V N 0.775 120.736 119.914 0.079 0.000 2.295 371 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 371 V C 2.316 178.292 176.094 -0.197 0.000 1.049 371 V CA 1.687 63.862 62.300 -0.207 0.000 1.024 371 V CB -0.842 30.767 31.823 -0.357 0.000 0.648 371 V HN 0.166 nan 8.190 nan 0.000 0.447 372 F N 0.211 120.099 119.950 -0.103 0.000 2.171 372 F HA -0.082 4.444 4.527 -0.001 0.000 0.300 372 F C 1.620 177.413 175.800 -0.013 0.000 1.090 372 F CA 1.321 59.356 58.000 0.058 0.000 1.293 372 F CB -0.504 38.548 39.000 0.087 0.000 1.013 372 F HN 0.217 nan 8.300 nan 0.000 0.486 376 K N 1.355 121.692 120.400 -0.105 0.000 2.281 376 K HA -0.103 4.217 4.320 -0.001 0.000 0.203 376 K C 1.521 177.921 176.600 -0.334 0.000 1.046 376 K CA 1.945 58.069 56.287 -0.273 0.000 0.938 376 K CB -0.646 31.786 32.500 -0.113 0.000 0.737 376 K HN 0.267 nan 8.250 nan 0.000 0.458 377 V N -1.220 118.450 119.914 -0.407 0.000 2.867 377 V HA -0.151 3.969 4.120 -0.001 0.000 0.260 377 V C 1.659 177.428 176.094 -0.541 0.000 1.099 377 V CA 1.310 63.250 62.300 -0.600 0.000 1.122 377 V CB -0.971 30.177 31.823 -1.126 0.000 0.708 377 V HN 0.343 nan 8.190 nan 0.000 0.490 378 H N 0.254 119.114 119.070 -0.349 0.000 2.548 378 H HA 0.231 4.787 4.556 -0.001 0.000 0.268 378 H C 0.918 176.101 175.328 -0.241 0.000 0.975 378 H CA 0.188 56.075 56.048 -0.268 0.000 1.195 378 H CB -0.033 29.636 29.762 -0.154 0.000 1.397 378 H HN 0.617 nan 8.280 nan 0.000 0.572 379 Q N 1.616 121.288 119.800 -0.214 0.000 2.247 379 Q HA -0.055 4.284 4.340 -0.001 0.000 0.288 379 Q C -0.074 175.906 176.000 -0.033 0.000 1.079 379 Q CA 0.209 55.948 55.803 -0.106 0.000 0.932 379 Q CB 0.404 29.069 28.738 -0.121 0.000 1.133 379 Q HN 0.264 nan 8.270 nan 0.000 0.377 380 D N -0.387 120.020 120.400 0.012 0.000 3.012 380 D HA -0.189 4.450 4.640 -0.001 0.000 0.222 380 D C -0.467 175.828 176.300 -0.009 0.000 1.167 380 D CA 1.280 55.284 54.000 0.007 0.000 0.854 380 D CB -0.919 39.888 40.800 0.011 0.000 1.107 380 D HN 0.649 nan 8.370 nan 0.000 0.421 381 A N 0.082 122.890 122.820 -0.020 0.000 2.271 381 A HA 0.462 4.782 4.320 -0.001 0.000 0.288 381 A C 0.466 178.033 177.584 -0.028 0.000 1.094 381 A CA -0.276 51.752 52.037 -0.016 0.000 0.828 381 A CB 0.748 19.748 19.000 0.000 0.000 1.091 381 A HN 0.084 nan 8.150 nan 0.000 0.493 382 E N 0.303 120.490 120.200 -0.021 0.000 2.223 382 E HA 0.264 4.614 4.350 -0.001 0.000 0.282 382 E C -0.858 175.712 176.600 -0.050 0.000 1.046 382 E CA -0.478 55.903 56.400 -0.032 0.000 0.857 382 E CB 1.063 30.747 29.700 -0.026 0.000 1.055 382 E HN 0.476 nan 8.360 nan 0.000 0.409 383 L N 4.948 126.129 121.223 -0.070 0.000 2.410 383 L HA 0.136 4.476 4.340 -0.001 0.000 0.273 383 L C -0.986 175.837 176.870 -0.078 0.000 1.144 383 L CA 0.408 55.194 54.840 -0.091 0.000 0.863 383 L CB 0.244 42.246 42.059 -0.095 0.000 1.140 383 L HN 0.459 nan 8.230 nan 0.000 0.463 384 L N 3.909 125.078 121.223 -0.090 0.000 2.325 384 L HA 0.323 4.663 4.340 -0.001 0.000 0.279 384 L C -0.043 176.749 176.870 -0.131 0.000 1.054 384 L CA -0.852 53.925 54.840 -0.106 0.000 0.804 384 L CB 1.298 43.289 42.059 -0.114 0.000 1.200 384 L HN 0.613 nan 8.230 nan 0.000 0.436 385 D N 1.692 122.002 120.400 -0.150 0.000 2.450 385 D HA 0.164 4.803 4.640 -0.001 0.000 0.247 385 D C -0.369 175.739 176.300 -0.320 0.000 1.162 385 D CA 0.207 54.096 54.000 -0.186 0.000 0.879 385 D CB 0.731 41.427 40.800 -0.173 0.000 1.163 385 D HN 0.592 nan 8.370 nan 0.000 0.472 386 T N 1.537 115.933 114.554 -0.263 0.000 2.886 386 T HA 0.537 4.886 4.350 -0.001 0.000 0.292 386 T C -0.967 173.660 174.700 -0.122 0.000 1.012 386 T CA -1.059 60.864 62.100 -0.296 0.000 0.982 386 T CB 0.715 69.485 68.868 -0.163 0.000 1.018 386 T HN 0.293 nan 8.240 nan 0.000 0.451 387 W N 2.260 123.541 121.300 -0.032 0.000 2.551 387 W HA 0.651 5.311 4.660 -0.001 0.000 0.330 387 W C 0.199 176.707 176.519 -0.018 0.000 1.063 387 W CA -0.837 56.493 57.345 -0.025 0.000 1.222 387 W CB 1.103 30.552 29.460 -0.018 0.000 1.349 387 W HN 1.016 nan 8.180 nan 0.000 0.536 388 E N 0.097 120.422 120.200 0.208 0.000 2.383 388 E HA 0.580 4.930 4.350 -0.001 0.000 0.275 388 E C -1.575 175.081 176.600 0.094 0.000 0.918 388 E CA -0.880 55.593 56.400 0.121 0.000 0.764 388 E CB 2.302 32.047 29.700 0.074 0.000 1.252 388 E HN 0.085 nan 8.360 nan 0.000 0.449 389 S N 1.715 117.462 115.700 0.078 0.000 2.721 389 S HA 0.368 4.838 4.470 -0.001 0.000 0.264 389 S C -0.910 173.723 174.600 0.055 0.000 1.161 389 S CA -0.531 57.704 58.200 0.058 0.000 1.113 389 S CB 0.623 63.855 63.200 0.054 0.000 1.079 389 S HN 0.675 nan 8.310 nan 0.000 0.479 390 V N 2.927 122.872 119.914 0.051 0.000 2.667 390 V HA 0.762 4.881 4.120 -0.001 0.000 0.308 390 V C 0.027 176.149 176.094 0.046 0.000 1.048 390 V CA -0.965 61.367 62.300 0.053 0.000 0.928 390 V CB 1.464 33.323 31.823 0.060 0.000 1.004 390 V HN 0.904 nan 8.190 nan 0.000 0.444 391 E N 3.888 124.117 120.200 0.047 0.000 2.409 391 E HA 0.379 4.729 4.350 -0.001 0.000 0.257 391 E C -0.647 175.975 176.600 0.037 0.000 1.150 391 E CA -0.821 55.602 56.400 0.037 0.000 0.942 391 E CB 0.563 30.284 29.700 0.036 0.000 0.979 391 E HN 0.633 nan 8.360 nan 0.000 0.447 392 R N 0.208 120.720 120.500 0.020 0.000 2.596 392 R HA 0.552 4.891 4.340 -0.001 0.000 0.267 392 R C -0.129 176.169 176.300 -0.004 0.000 1.026 392 R CA -0.657 55.448 56.100 0.009 0.000 1.087 392 R CB 1.500 31.793 30.300 -0.012 0.000 1.132 392 R HN 0.744 nan 8.270 nan 0.000 0.531 393 T N -1.548 112.990 114.554 -0.027 0.000 2.762 393 T HA 0.595 4.944 4.350 -0.001 0.000 0.301 393 T C -0.735 173.787 174.700 -0.297 0.000 1.299 393 T CA 0.442 62.494 62.100 -0.081 0.000 1.005 393 T CB 1.329 70.243 68.868 0.077 0.000 1.377 393 T HN 0.878 nan 8.240 nan 0.000 0.504 394 G N 2.103 110.467 108.800 -0.727 0.000 2.829 394 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.628 394 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.628 394 G C -2.941 171.503 174.900 -0.760 0.000 1.412 394 G CA -0.704 43.529 45.100 -1.445 0.000 0.864 394 G HN 0.759 nan 8.290 nan 0.000 0.544 395 P HA 0.297 nan 4.420 nan 0.000 0.260 395 P C 0.329 177.505 177.300 -0.207 0.000 1.185 395 P CA 1.101 64.002 63.100 -0.333 0.000 0.763 395 P CB 0.077 31.642 31.700 -0.226 0.000 0.776 396 E N 2.136 122.250 120.200 -0.142 0.000 2.722 396 E HA -0.261 4.089 4.350 -0.001 0.000 0.265 396 E C 0.855 177.401 176.600 -0.090 0.000 1.081 396 E CA 0.593 56.938 56.400 -0.090 0.000 0.781 396 E CB -2.169 27.495 29.700 -0.060 0.000 1.372 396 E HN 0.919 nan 8.360 nan 0.000 0.423 397 G N 0.845 109.569 108.800 -0.127 0.000 2.341 397 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.292 397 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.292 397 G C 0.597 175.455 174.900 -0.071 0.000 1.021 397 G CA 1.126 46.166 45.100 -0.100 0.000 0.905 397 G HN 0.732 nan 8.290 nan 0.000 0.508 398 E N -1.240 118.905 120.200 -0.091 0.000 2.418 398 E HA 0.164 4.514 4.350 -0.001 0.000 0.197 398 E C 1.077 177.682 176.600 0.007 0.000 1.026 398 E CA 0.273 56.652 56.400 -0.035 0.000 0.862 398 E CB 0.183 29.864 29.700 -0.032 0.000 0.799 398 E HN 0.601 nan 8.360 nan 0.000 0.518 399 L N 1.438 122.664 121.223 0.005 0.000 2.341 399 L HA 0.489 4.829 4.340 -0.001 0.000 0.267 399 L C -2.393 174.518 176.870 0.068 0.000 1.009 399 L CA -3.076 51.808 54.840 0.074 0.000 0.819 399 L CB 1.974 44.132 42.059 0.164 0.000 1.323 399 L HN -0.130 nan 8.230 nan 0.000 0.425 400 P HA 0.085 nan 4.420 nan 0.000 0.279 400 P C -0.390 176.977 177.300 0.112 0.000 1.239 400 P CA -0.429 62.720 63.100 0.081 0.000 0.789 400 P CB 1.571 33.317 31.700 0.078 0.000 0.933 401 K N 1.756 122.216 120.400 0.101 0.000 2.097 401 K HA 0.028 4.347 4.320 -0.001 0.000 0.205 401 K C 0.241 176.924 176.600 0.139 0.000 1.050 401 K CA 1.086 57.451 56.287 0.129 0.000 0.938 401 K CB 0.114 32.673 32.500 0.099 0.000 0.718 401 K HN 0.270 nan 8.250 nan 0.000 0.442 402 V N 0.116 120.098 119.914 0.114 0.000 2.735 402 V HA 0.284 4.403 4.120 -0.001 0.000 0.310 402 V C -1.076 175.087 176.094 0.115 0.000 1.061 402 V CA -0.911 61.458 62.300 0.114 0.000 0.913 402 V CB 1.773 33.654 31.823 0.097 0.000 1.005 402 V HN 0.124 nan 8.190 nan 0.000 0.428 403 S N 3.106 118.893 115.700 0.145 0.000 2.561 403 S HA 0.833 5.303 4.470 -0.001 0.000 0.303 403 S C -1.179 173.585 174.600 0.273 0.000 1.110 403 S CA -0.406 57.912 58.200 0.196 0.000 1.034 403 S CB 1.402 64.732 63.200 0.216 0.000 1.010 403 S HN 0.506 nan 8.310 nan 0.000 0.482 404 V N 3.238 123.210 119.914 0.096 0.000 2.823 404 V HA 0.855 4.974 4.120 -0.001 0.000 0.312 404 V C -0.197 175.655 176.094 -0.402 0.000 1.072 404 V CA -0.711 61.548 62.300 -0.070 0.000 0.937 404 V CB 2.027 33.833 31.823 -0.029 0.000 1.013 404 V HN 0.829 nan 8.190 nan 0.000 0.430 405 S N 1.702 117.085 115.700 -0.528 0.000 2.536 405 S HA 0.866 5.335 4.470 -0.001 0.000 0.271 405 S C -1.000 173.468 174.600 -0.220 0.000 1.134 405 S CA 0.081 57.992 58.200 -0.482 0.000 0.897 405 S CB 1.713 64.429 63.200 -0.806 0.000 1.094 405 S HN 1.411 nan 8.310 nan 0.000 0.473 406 A N 2.559 125.294 122.820 -0.142 0.000 2.356 406 A HA 0.895 5.215 4.320 -0.001 0.000 0.310 406 A C -0.346 177.215 177.584 -0.038 0.000 1.075 406 A CA -0.481 51.522 52.037 -0.058 0.000 0.746 406 A CB 1.415 20.361 19.000 -0.091 0.000 1.221 406 A HN 1.431 nan 8.150 nan 0.000 0.443 407 S N 1.540 117.271 115.700 0.050 0.000 2.618 407 S HA 0.807 5.277 4.470 -0.001 0.000 0.277 407 S C -0.740 173.891 174.600 0.051 0.000 1.138 407 S CA -0.884 57.340 58.200 0.039 0.000 0.844 407 S CB 1.718 64.971 63.200 0.089 0.000 1.127 407 S HN 0.929 nan 8.310 nan 0.000 0.474 408 R N 0.724 121.237 120.500 0.020 0.000 2.437 408 R HA 0.716 5.055 4.340 -0.001 0.000 0.310 408 R C -0.036 176.287 176.300 0.038 0.000 0.955 408 R CA -0.538 55.573 56.100 0.018 0.000 0.851 408 R CB 1.370 31.656 30.300 -0.023 0.000 1.161 408 R HN 0.973 nan 8.270 nan 0.000 0.446 409 A N 2.869 125.736 122.820 0.079 0.000 2.296 409 A HA 0.443 4.762 4.320 -0.001 0.000 0.264 409 A C 1.145 178.744 177.584 0.026 0.000 1.097 409 A CA 0.309 52.383 52.037 0.062 0.000 0.811 409 A CB 0.491 19.566 19.000 0.125 0.000 1.072 409 A HN 0.983 nan 8.150 nan 0.000 0.495 410 A N 0.268 123.098 122.820 0.016 0.000 1.978 410 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 410 A C 1.384 178.973 177.584 0.008 0.000 1.170 410 A CA 2.089 54.131 52.037 0.008 0.000 0.636 410 A CB -0.690 18.314 19.000 0.006 0.000 0.810 410 A HN 0.903 nan 8.150 nan 0.000 0.448 411 D N -2.151 118.258 120.400 0.014 0.000 2.363 411 D HA 0.262 4.901 4.640 -0.001 0.000 0.226 411 D C 1.180 177.479 176.300 -0.001 0.000 1.020 411 D CA 1.005 55.011 54.000 0.009 0.000 0.892 411 D CB -0.586 40.224 40.800 0.017 0.000 0.900 411 D HN 0.781 nan 8.370 nan 0.000 0.531 412 G N -0.000 108.796 108.800 -0.006 0.000 2.217 412 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.246 412 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.246 412 G C 0.224 175.094 174.900 -0.051 0.000 0.990 412 G CA 0.097 45.182 45.100 -0.024 0.000 0.627 412 G HN 0.468 nan 8.290 nan 0.000 0.522 413 K N 0.397 120.762 120.400 -0.059 0.000 2.326 413 K HA 0.508 4.828 4.320 -0.001 0.000 0.275 413 K C 0.356 176.808 176.600 -0.248 0.000 1.018 413 K CA -0.043 56.145 56.287 -0.164 0.000 0.962 413 K CB 0.993 33.379 32.500 -0.190 0.000 0.953 413 K HN 0.304 nan 8.250 nan 0.000 0.475 414 I N 2.954 123.332 120.570 -0.319 0.000 2.385 414 I HA 0.156 4.325 4.170 -0.001 0.000 0.294 414 I C -0.366 175.469 176.117 -0.469 0.000 0.988 414 I CA -0.671 60.467 61.300 -0.270 0.000 1.265 414 I CB 0.966 38.868 38.000 -0.163 0.000 1.388 414 I HN 0.534 nan 8.210 nan 0.000 0.480 415 H N 5.929 124.945 119.070 -0.089 0.000 2.529 415 H HA 0.582 5.138 4.556 -0.001 0.000 0.348 415 H C -0.824 174.468 175.328 -0.059 0.000 1.079 415 H CA -0.475 55.501 56.048 -0.120 0.000 1.198 415 H CB 1.707 31.316 29.762 -0.256 0.000 1.521 415 H HN 0.362 nan 8.280 nan 0.000 0.514 416 I N 2.786 123.372 120.570 0.026 0.000 2.410 416 I HA 0.267 4.436 4.170 -0.001 0.000 0.286 416 I C -0.322 175.803 176.117 0.013 0.000 1.009 416 I CA -0.677 60.627 61.300 0.006 0.000 1.111 416 I CB 1.409 39.380 38.000 -0.049 0.000 1.262 416 I HN 0.563 nan 8.210 nan 0.000 0.443 417 S N 7.134 122.856 115.700 0.035 0.000 2.525 417 S HA 0.884 5.353 4.470 -0.001 0.000 0.290 417 S C -0.776 173.924 174.600 0.166 0.000 1.152 417 S CA -0.755 57.483 58.200 0.063 0.000 1.072 417 S CB 1.866 64.987 63.200 -0.132 0.000 1.027 417 S HN 0.404 nan 8.310 nan 0.000 0.500 418 L N 1.287 122.627 121.223 0.196 0.000 2.464 418 L HA 0.532 4.871 4.340 -0.001 0.000 0.266 418 L C -0.965 176.009 176.870 0.173 0.000 0.965 418 L CA -0.454 54.499 54.840 0.189 0.000 0.833 418 L CB 1.763 43.862 42.059 0.068 0.000 1.296 418 L HN 0.803 nan 8.230 nan 0.000 0.405 419 C N 1.246 120.650 119.300 0.173 0.000 2.382 419 C HA 0.592 5.052 4.460 -0.001 0.000 0.327 419 C C 0.163 175.225 174.990 0.121 0.000 1.250 419 C CA -0.702 58.384 59.018 0.113 0.000 1.707 419 C CB 1.096 28.866 27.740 0.049 0.000 2.272 419 C HN 0.774 nan 8.230 nan 0.000 0.506 420 N N 2.000 120.777 118.700 0.128 0.000 2.501 420 N HA 0.341 5.080 4.740 -0.001 0.000 0.245 420 N C 0.171 175.819 175.510 0.230 0.000 0.974 420 N CA -0.523 52.620 53.050 0.156 0.000 0.941 420 N CB 0.741 39.307 38.487 0.132 0.000 1.122 420 N HN 0.499 nan 8.380 nan 0.000 0.507 421 L N 1.321 122.702 121.223 0.264 0.000 2.478 421 L HA 0.155 4.494 4.340 -0.001 0.000 0.223 421 L C 0.528 177.750 176.870 0.586 0.000 1.140 421 L CA 0.629 55.703 54.840 0.390 0.000 0.842 421 L CB -0.504 41.756 42.059 0.334 0.000 0.953 421 L HN 0.528 nan 8.230 nan 0.000 0.452 422 D N -0.742 119.898 120.400 0.400 0.000 2.295 422 D HA 0.029 4.668 4.640 -0.001 0.000 0.248 422 D C 1.023 177.362 176.300 0.065 0.000 1.154 422 D CA -0.398 53.773 54.000 0.284 0.000 0.857 422 D CB 0.820 41.724 40.800 0.174 0.000 1.117 422 D HN 0.149 nan 8.370 nan 0.000 0.468 423 F N 2.019 121.857 119.950 -0.188 0.000 2.710 423 F HA 0.282 4.808 4.527 -0.001 0.000 0.298 423 F C 1.462 177.138 175.800 -0.207 0.000 1.137 423 F CA 0.153 57.908 58.000 -0.408 0.000 1.444 423 F CB -0.120 38.229 39.000 -1.084 0.000 1.111 423 F HN 0.330 nan 8.300 nan 0.000 0.580 424 E N 0.487 120.367 120.200 -0.534 0.000 2.251 424 E HA 0.089 4.438 4.350 -0.001 0.000 0.194 424 E C 0.416 176.953 176.600 -0.105 0.000 0.964 424 E CA 0.913 57.134 56.400 -0.299 0.000 0.868 424 E CB 0.374 29.823 29.700 -0.420 0.000 0.828 424 E HN 0.466 nan 8.360 nan 0.000 0.481 425 T N -2.440 112.068 114.554 -0.076 0.000 2.896 425 T HA 0.598 4.948 4.350 -0.001 0.000 0.297 425 T C 0.362 175.080 174.700 0.029 0.000 1.108 425 T CA -0.689 61.405 62.100 -0.010 0.000 1.004 425 T CB 1.794 70.658 68.868 -0.006 0.000 1.159 425 T HN 0.021 nan 8.240 nan 0.000 0.499 426 G N -0.027 108.803 108.800 0.050 0.000 2.684 426 G HA2 0.553 4.513 3.960 -0.001 0.000 0.255 426 G HA3 0.553 4.513 3.960 -0.001 0.000 0.255 426 G C -0.272 174.676 174.900 0.079 0.000 1.219 426 G CA -0.457 44.690 45.100 0.078 0.000 0.901 426 G HN 1.282 nan 8.290 nan 0.000 0.548 427 A N 0.037 122.914 122.820 0.096 0.000 2.335 427 A HA 0.662 4.982 4.320 -0.001 0.000 0.304 427 A C 0.061 177.707 177.584 0.103 0.000 1.118 427 A CA -0.479 51.613 52.037 0.092 0.000 0.757 427 A CB 1.347 20.404 19.000 0.095 0.000 1.188 427 A HN 0.668 nan 8.150 nan 0.000 0.460 428 S N 1.064 116.819 115.700 0.092 0.000 2.499 428 S HA 0.479 4.949 4.470 -0.001 0.000 0.275 428 S C -0.122 174.536 174.600 0.096 0.000 1.257 428 S CA -0.321 57.938 58.200 0.099 0.000 1.050 428 S CB 0.767 64.016 63.200 0.081 0.000 0.937 428 S HN 0.613 nan 8.310 nan 0.000 0.490 429 V N 3.261 123.241 119.914 0.110 0.000 2.483 429 V HA 0.343 4.462 4.120 -0.001 0.000 0.297 429 V C -0.560 175.599 176.094 0.108 0.000 1.027 429 V CA -0.921 61.439 62.300 0.099 0.000 0.855 429 V CB 1.928 33.805 31.823 0.090 0.000 0.995 429 V HN 0.795 nan 8.190 nan 0.000 0.424 430 D N 4.748 125.210 120.400 0.103 0.000 2.373 430 D HA 0.482 5.122 4.640 -0.001 0.000 0.227 430 D C -0.572 175.801 176.300 0.122 0.000 1.091 430 D CA -0.110 53.966 54.000 0.127 0.000 0.840 430 D CB 0.909 41.784 40.800 0.126 0.000 1.060 430 D HN 0.464 nan 8.370 nan 0.000 0.502 431 I N 3.303 123.940 120.570 0.112 0.000 2.330 431 I HA 0.227 4.397 4.170 -0.001 0.000 0.289 431 I C 0.323 176.435 176.117 -0.008 0.000 1.001 431 I CA -0.789 60.536 61.300 0.043 0.000 1.193 431 I CB 1.477 39.482 38.000 0.008 0.000 1.345 431 I HN 0.371 nan 8.210 nan 0.000 0.461 432 E N 7.851 128.005 120.200 -0.077 0.000 2.146 432 E HA 0.415 4.765 4.350 -0.001 0.000 0.282 432 E C -1.300 175.168 176.600 -0.220 0.000 0.989 432 E CA -0.647 55.589 56.400 -0.273 0.000 0.799 432 E CB 0.928 30.495 29.700 -0.221 0.000 1.088 432 E HN 0.541 nan 8.360 nan 0.000 0.397 433 L N 5.548 126.631 121.223 -0.233 0.000 2.257 433 L HA 0.510 4.850 4.340 -0.001 0.000 0.290 433 L C 0.425 177.197 176.870 -0.163 0.000 1.044 433 L CA -0.494 54.243 54.840 -0.173 0.000 0.810 433 L CB 0.925 42.905 42.059 -0.131 0.000 1.193 433 L HN 0.458 nan 8.230 nan 0.000 0.425 434 R N 1.463 121.865 120.500 -0.162 0.000 2.902 434 R HA 0.624 4.964 4.340 -0.001 0.000 0.258 434 R C 0.531 176.761 176.300 -0.117 0.000 1.071 434 R CA -0.605 55.416 56.100 -0.131 0.000 1.024 434 R CB 1.720 31.936 30.300 -0.139 0.000 1.184 434 R HN 0.769 nan 8.270 nan 0.000 0.492 435 G N 0.875 109.625 108.800 -0.083 0.000 2.249 435 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.273 435 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.273 435 G C 0.190 175.051 174.900 -0.065 0.000 1.036 435 G CA 0.161 45.219 45.100 -0.069 0.000 0.824 435 G HN 0.375 nan 8.290 nan 0.000 0.504 436 L N -0.607 120.579 121.223 -0.060 0.000 2.168 436 L HA 0.292 4.631 4.340 -0.001 0.000 0.203 436 L C 1.922 178.767 176.870 -0.041 0.000 1.078 436 L CA 2.436 57.242 54.840 -0.056 0.000 0.780 436 L CB -0.619 41.406 42.059 -0.057 0.000 0.939 436 L HN 0.634 nan 8.230 nan 0.000 0.451 437 N N -2.925 115.756 118.700 -0.033 0.000 2.430 437 N HA -0.188 4.551 4.740 -0.001 0.000 0.206 437 N C 0.844 176.343 175.510 -0.019 0.000 1.257 437 N CA 0.682 53.718 53.050 -0.023 0.000 2.683 437 N CB -1.188 37.285 38.487 -0.023 0.000 0.842 437 N HN 0.504 nan 8.380 nan 0.000 0.455 438 G N -0.603 108.183 108.800 -0.022 0.000 3.234 438 G HA2 0.708 4.668 3.960 -0.001 0.000 0.159 438 G HA3 0.708 4.668 3.960 -0.001 0.000 0.159 438 G C -0.379 174.511 174.900 -0.017 0.000 1.175 438 G CA 0.294 45.384 45.100 -0.017 0.000 0.900 438 G HN 0.376 nan 8.290 nan 0.000 0.621 439 G N -1.526 107.265 108.800 -0.014 0.000 2.569 439 G HA2 0.726 4.686 3.960 -0.001 0.000 0.300 439 G HA3 0.726 4.686 3.960 -0.001 0.000 0.300 439 G C -1.052 173.839 174.900 -0.015 0.000 1.269 439 G CA 0.050 45.143 45.100 -0.011 0.000 0.959 439 G HN 1.487 nan 8.290 nan 0.000 0.478 440 V N -1.734 118.173 119.914 -0.012 0.000 3.040 440 V HA 0.933 5.053 4.120 -0.001 0.000 0.312 440 V C 0.004 176.102 176.094 0.006 0.000 1.115 440 V CA -0.533 61.759 62.300 -0.015 0.000 0.998 440 V CB 1.376 33.178 31.823 -0.036 0.000 1.042 440 V HN 1.278 nan 8.190 nan 0.000 0.433 441 S N 1.370 117.076 115.700 0.010 0.000 2.664 441 S HA 0.992 5.461 4.470 -0.001 0.000 0.304 441 S C -0.198 174.427 174.600 0.041 0.000 1.099 441 S CA -0.224 58.000 58.200 0.040 0.000 1.003 441 S CB 1.767 64.990 63.200 0.039 0.000 1.092 441 S HN 2.312 nan 8.310 nan 0.000 0.525 442 A N 1.061 123.944 122.820 0.105 0.000 2.475 442 A HA 0.886 5.205 4.320 -0.001 0.000 0.301 442 A C -0.047 177.662 177.584 0.208 0.000 1.059 442 A CA -0.641 51.447 52.037 0.084 0.000 0.710 442 A CB 1.431 20.419 19.000 -0.021 0.000 1.288 442 A HN 1.378 nan 8.150 nan 0.000 0.408 443 T N -1.333 113.299 114.554 0.130 0.000 2.888 443 T HA 0.914 5.263 4.350 -0.001 0.000 0.288 443 T C 0.008 174.807 174.700 0.165 0.000 1.063 443 T CA -0.308 61.920 62.100 0.213 0.000 1.010 443 T CB 1.890 70.843 68.868 0.142 0.000 1.214 443 T HN 1.946 nan 8.240 nan 0.000 0.533 444 G N -0.720 108.245 108.800 0.275 0.000 2.704 444 G HA2 0.602 4.562 3.960 -0.001 0.000 0.293 444 G HA3 0.602 4.562 3.960 -0.001 0.000 0.293 444 G C -1.321 173.769 174.900 0.318 0.000 1.421 444 G CA -0.558 44.724 45.100 0.303 0.000 0.870 444 G HN 0.916 nan 8.290 nan 0.000 0.492 445 T N -1.252 113.449 114.554 0.245 0.000 2.909 445 T HA 0.749 5.099 4.350 -0.001 0.000 0.299 445 T C -1.034 173.747 174.700 0.135 0.000 1.073 445 T CA -0.344 61.877 62.100 0.202 0.000 0.999 445 T CB 2.174 71.127 68.868 0.142 0.000 1.098 445 T HN 0.836 nan 8.240 nan 0.000 0.477 446 T N 3.379 118.011 114.554 0.130 0.000 2.912 446 T HA 0.673 5.022 4.350 -0.001 0.000 0.299 446 T C -1.819 172.917 174.700 0.060 0.000 1.052 446 T CA -0.596 61.531 62.100 0.045 0.000 0.996 446 T CB 1.336 70.202 68.868 -0.003 0.000 1.070 446 T HN 0.598 nan 8.240 nan 0.000 0.465 447 L N 4.327 125.578 121.223 0.048 0.000 2.319 447 L HA 0.834 5.174 4.340 -0.001 0.000 0.281 447 L C -0.163 176.746 176.870 0.065 0.000 1.005 447 L CA 0.310 55.179 54.840 0.048 0.000 0.828 447 L CB 1.592 43.688 42.059 0.061 0.000 1.227 447 L HN 0.800 nan 8.230 nan 0.000 0.415 448 T N 2.251 116.845 114.554 0.067 0.000 2.681 448 T HA 0.783 5.132 4.350 -0.001 0.000 0.296 448 T C -1.576 173.168 174.700 0.073 0.000 1.157 448 T CA -0.158 61.992 62.100 0.083 0.000 1.025 448 T CB 1.574 70.493 68.868 0.085 0.000 1.441 448 T HN 0.675 nan 8.240 nan 0.000 0.504 449 S N -1.774 113.969 115.700 0.072 0.000 2.565 449 S HA 0.609 5.078 4.470 -0.001 0.000 0.269 449 S C 0.639 175.257 174.600 0.030 0.000 1.153 449 S CA 0.183 58.412 58.200 0.050 0.000 0.835 449 S CB 1.079 64.319 63.200 0.067 0.000 1.122 449 S HN 1.099 nan 8.310 nan 0.000 0.462 450 G N 1.567 110.372 108.800 0.007 0.000 2.939 450 G HA2 0.243 4.202 3.960 -0.001 0.000 0.210 450 G HA3 0.243 4.202 3.960 -0.001 0.000 0.210 450 G C 0.172 175.051 174.900 -0.035 0.000 1.160 450 G CA 0.007 45.103 45.100 -0.007 0.000 0.770 450 G HN 0.450 nan 8.290 nan 0.000 0.543 451 R N 0.021 120.492 120.500 -0.049 0.000 2.686 451 R HA 0.317 4.656 4.340 -0.001 0.000 0.283 451 R C 1.242 177.468 176.300 -0.123 0.000 0.978 451 R CA -0.850 55.190 56.100 -0.101 0.000 0.897 451 R CB 1.547 31.793 30.300 -0.091 0.000 1.192 451 R HN 0.204 nan 8.270 nan 0.000 0.457 452 I N -1.356 119.054 120.570 -0.266 0.000 2.614 452 I HA -0.107 4.063 4.170 -0.001 0.000 0.258 452 I C 0.675 176.796 176.117 0.005 0.000 1.189 452 I CA 1.402 62.523 61.300 -0.298 0.000 1.462 452 I CB -0.099 37.478 38.000 -0.705 0.000 1.092 452 I HN 0.367 nan 8.210 nan 0.000 0.442 453 D N 1.270 121.565 120.400 -0.175 0.000 2.463 453 D HA 0.152 4.791 4.640 -0.001 0.000 0.224 453 D C 0.960 177.350 176.300 0.150 0.000 1.174 453 D CA -0.365 53.596 54.000 -0.065 0.000 0.829 453 D CB -0.389 40.120 40.800 -0.485 0.000 0.993 453 D HN 0.270 nan 8.370 nan 0.000 0.497 454 G N 1.318 110.187 108.800 0.115 0.000 2.225 454 G HA2 0.285 4.244 3.960 -0.001 0.000 0.245 454 G HA3 0.285 4.244 3.960 -0.001 0.000 0.245 454 G C 0.150 175.159 174.900 0.182 0.000 1.249 454 G CA 0.213 45.373 45.100 0.100 0.000 0.919 454 G HN 0.601 nan 8.290 nan 0.000 0.486 455 H N 0.320 119.393 119.070 0.006 0.000 2.966 455 H HA 0.419 4.974 4.556 -0.001 0.000 0.330 455 H C -1.070 174.245 175.328 -0.021 0.000 1.292 455 H CA -1.156 54.893 56.048 0.002 0.000 1.127 455 H CB 1.047 30.801 29.762 -0.014 0.000 1.863 455 H HN 0.348 nan 8.280 nan 0.000 0.543 456 N N 0.481 119.191 118.700 0.017 0.000 2.456 456 N HA 0.359 5.098 4.740 -0.001 0.000 0.296 456 N C -0.129 175.323 175.510 -0.097 0.000 1.102 456 N CA -0.064 52.938 53.050 -0.080 0.000 0.924 456 N CB 2.207 40.665 38.487 -0.049 0.000 1.186 456 N HN 0.807 nan 8.380 nan 0.000 0.492 457 T N -2.620 111.841 114.554 -0.155 0.000 2.888 457 T HA 0.482 4.832 4.350 -0.001 0.000 0.288 457 T C 0.866 175.421 174.700 -0.242 0.000 1.063 457 T CA -0.586 61.392 62.100 -0.203 0.000 1.010 457 T CB 0.391 69.236 68.868 -0.038 0.000 1.214 457 T HN 0.154 nan 8.240 nan 0.000 0.533 458 F N 0.691 120.667 119.950 0.044 0.000 2.186 458 F HA 0.066 4.593 4.527 -0.001 0.000 0.299 458 F C 2.154 177.960 175.800 0.010 0.000 1.090 458 F CA 0.916 58.929 58.000 0.023 0.000 1.307 458 F CB -0.532 38.482 39.000 0.023 0.000 1.019 458 F HN 0.497 nan 8.300 nan 0.000 0.489 459 D N -0.244 120.253 120.400 0.161 0.000 2.194 459 D HA -0.063 4.576 4.640 -0.001 0.000 0.204 459 D C 0.392 176.714 176.300 0.036 0.000 0.964 459 D CA 0.966 55.017 54.000 0.086 0.000 0.846 459 D CB -0.183 40.657 40.800 0.067 0.000 0.962 459 D HN 0.374 nan 8.370 nan 0.000 0.490 460 E N 0.656 120.858 120.200 0.003 0.000 3.037 460 E HA 0.125 4.474 4.350 -0.001 0.000 0.220 460 E C -1.950 174.621 176.600 -0.047 0.000 1.142 460 E CA -1.205 55.179 56.400 -0.027 0.000 0.888 460 E CB 1.848 31.515 29.700 -0.054 0.000 1.329 460 E HN 0.098 nan 8.360 nan 0.000 0.409 461 P HA -0.047 nan 4.420 nan 0.000 0.241 461 P C 0.164 177.458 177.300 -0.009 0.000 1.191 461 P CA 0.710 63.788 63.100 -0.037 0.000 0.771 461 P CB 0.418 32.115 31.700 -0.005 0.000 0.929 462 E N -0.821 119.376 120.200 -0.004 0.000 2.887 462 E HA 0.181 4.531 4.350 -0.001 0.000 0.206 462 E C 1.491 178.088 176.600 -0.006 0.000 0.983 462 E CA -0.269 56.139 56.400 0.013 0.000 1.141 462 E CB 0.275 29.984 29.700 0.014 0.000 1.061 462 E HN 0.016 nan 8.360 nan 0.000 0.468 463 R N 0.346 120.830 120.500 -0.027 0.000 2.081 463 R HA -0.016 4.323 4.340 -0.001 0.000 0.235 463 R C 0.463 176.749 176.300 -0.023 0.000 1.131 463 R CA 0.963 57.037 56.100 -0.045 0.000 0.960 463 R CB 0.416 30.656 30.300 -0.100 0.000 0.856 463 R HN -0.081 nan 8.270 nan 0.000 0.436 464 V N 2.165 122.081 119.914 0.004 0.000 2.376 464 V HA 0.294 4.413 4.120 -0.001 0.000 0.287 464 V C -0.894 175.202 176.094 0.003 0.000 1.015 464 V CA -0.641 61.675 62.300 0.027 0.000 0.834 464 V CB 1.263 33.130 31.823 0.074 0.000 1.001 464 V HN 0.294 nan 8.190 nan 0.000 0.428 465 K N 4.399 124.731 120.400 -0.113 0.000 2.579 465 K HA 0.745 5.064 4.320 -0.001 0.000 0.284 465 K C -3.367 173.078 176.600 -0.258 0.000 0.990 465 K CA -1.960 54.087 56.287 -0.400 0.000 0.880 465 K CB 1.963 34.286 32.500 -0.294 0.000 1.488 465 K HN 0.239 nan 8.250 nan 0.000 0.425 466 P HA 0.224 nan 4.420 nan 0.000 0.269 466 P C -1.251 176.037 177.300 -0.020 0.000 1.209 466 P CA -0.277 62.771 63.100 -0.087 0.000 0.776 466 P CB 1.039 32.718 31.700 -0.036 0.000 0.876 467 A N 3.194 126.039 122.820 0.043 0.000 2.566 467 A HA 0.741 5.060 4.320 -0.001 0.000 0.292 467 A C -2.873 174.785 177.584 0.124 0.000 1.112 467 A CA -1.892 50.186 52.037 0.069 0.000 0.707 467 A CB 0.569 19.609 19.000 0.066 0.000 1.302 467 A HN 0.283 nan 8.150 nan 0.000 0.409 468 P HA 0.311 nan 4.420 nan 0.000 0.266 468 P C -1.123 176.321 177.300 0.239 0.000 1.195 468 P CA 0.429 63.622 63.100 0.156 0.000 0.768 468 P CB 0.129 31.888 31.700 0.098 0.000 0.838 469 F N 3.710 123.738 119.950 0.130 0.000 2.460 469 F HA 0.413 4.939 4.527 -0.001 0.000 0.341 469 F C 0.687 176.639 175.800 0.253 0.000 1.130 469 F CA -0.532 57.570 58.000 0.171 0.000 0.962 469 F CB 1.317 40.424 39.000 0.178 0.000 1.171 469 F HN 0.199 nan 8.300 nan 0.000 0.436 470 R N 2.484 122.685 120.500 -0.499 0.000 2.549 470 R HA 0.094 4.433 4.340 -0.001 0.000 0.361 470 R C -0.384 175.480 176.300 -0.726 0.000 0.969 470 R CA -0.149 55.653 56.100 -0.497 0.000 1.158 470 R CB 0.372 30.503 30.300 -0.281 0.000 1.456 470 R HN 0.422 nan 8.270 nan 0.000 0.540 471 D N 1.663 121.485 120.400 -0.964 0.000 2.994 471 D HA 0.080 4.719 4.640 -0.001 0.000 0.240 471 D C -0.824 175.334 176.300 -0.236 0.000 1.195 471 D CA -0.085 53.608 54.000 -0.510 0.000 0.957 471 D CB -0.278 40.376 40.800 -0.244 0.000 1.105 471 D HN 0.088 nan 8.370 nan 0.000 0.477 472 F N -1.201 118.584 119.950 -0.276 0.000 2.685 472 F HA 0.667 5.194 4.527 -0.001 0.000 0.315 472 F C -1.183 174.591 175.800 -0.042 0.000 1.126 472 F CA -1.484 56.480 58.000 -0.060 0.000 0.950 472 F CB 1.173 40.205 39.000 0.054 0.000 1.360 472 F HN -0.300 nan 8.300 nan 0.000 0.469 473 K N 1.920 122.440 120.400 0.199 0.000 2.471 473 K HA 0.667 4.987 4.320 -0.001 0.000 0.252 473 K C -2.417 174.326 176.600 0.238 0.000 0.938 473 K CA -0.638 55.698 56.287 0.081 0.000 0.796 473 K CB 1.844 34.366 32.500 0.038 0.000 1.161 473 K HN 0.866 nan 8.250 nan 0.000 0.425 474 L N 3.500 124.851 121.223 0.213 0.000 2.294 474 L HA 0.566 4.905 4.340 -0.001 0.000 0.283 474 L C -1.299 175.644 176.870 0.120 0.000 1.015 474 L CA 0.155 55.120 54.840 0.207 0.000 0.831 474 L CB 1.074 43.286 42.059 0.255 0.000 1.217 474 L HN 0.834 nan 8.230 nan 0.000 0.420 475 E N 4.180 124.451 120.200 0.119 0.000 2.274 475 E HA 0.459 4.809 4.350 -0.001 0.000 0.269 475 E C -0.032 176.635 176.600 0.111 0.000 0.891 475 E CA -0.416 56.038 56.400 0.091 0.000 0.784 475 E CB 1.413 31.156 29.700 0.071 0.000 1.225 475 E HN 0.918 nan 8.360 nan 0.000 0.412 476 G N 3.236 112.084 108.800 0.079 0.000 2.247 476 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.265 476 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.265 476 G C 0.917 175.869 174.900 0.086 0.000 0.861 476 G CA 0.870 46.015 45.100 0.075 0.000 1.289 476 G HN 1.322 nan 8.290 nan 0.000 0.403 477 G N 0.326 109.144 108.800 0.031 0.000 2.187 477 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.261 477 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.261 477 G C 0.268 175.074 174.900 -0.158 0.000 1.000 477 G CA 0.957 46.025 45.100 -0.054 0.000 0.718 477 G HN 1.366 nan 8.290 nan 0.000 0.519 478 H N -1.140 117.945 119.070 0.026 0.000 2.658 478 H HA 0.479 5.035 4.556 -0.001 0.000 0.337 478 H C -0.547 174.813 175.328 0.054 0.000 1.009 478 H CA -0.603 55.465 56.048 0.034 0.000 1.231 478 H CB 1.738 31.522 29.762 0.038 0.000 1.508 478 H HN 0.192 nan 8.280 nan 0.000 0.517 479 L N 4.940 126.251 121.223 0.146 0.000 2.295 479 L HA 0.300 4.639 4.340 -0.001 0.000 0.281 479 L C -0.623 176.348 176.870 0.168 0.000 1.018 479 L CA -0.622 54.305 54.840 0.145 0.000 0.841 479 L CB 0.291 42.381 42.059 0.051 0.000 1.218 479 L HN 0.489 nan 8.230 nan 0.000 0.424 480 N N 4.565 123.386 118.700 0.202 0.000 2.425 480 N HA 0.556 5.295 4.740 -0.001 0.000 0.268 480 N C -0.749 174.905 175.510 0.239 0.000 0.991 480 N CA -0.228 52.931 53.050 0.183 0.000 0.931 480 N CB 2.119 40.688 38.487 0.136 0.000 1.130 480 N HN 0.577 nan 8.380 nan 0.000 0.493 481 A N 1.307 124.269 122.820 0.236 0.000 2.365 481 A HA 0.614 4.934 4.320 -0.001 0.000 0.318 481 A C -0.366 177.394 177.584 0.294 0.000 1.091 481 A CA -0.652 51.590 52.037 0.342 0.000 0.763 481 A CB 0.951 20.158 19.000 0.345 0.000 1.248 481 A HN 0.444 nan 8.150 nan 0.000 0.442 482 S N 2.294 118.212 115.700 0.363 0.000 2.505 482 S HA 0.400 4.869 4.470 -0.001 0.000 0.280 482 S C -0.203 174.626 174.600 0.380 0.000 1.197 482 S CA -0.348 58.021 58.200 0.282 0.000 1.138 482 S CB -0.225 63.090 63.200 0.192 0.000 1.010 482 S HN 0.551 nan 8.310 nan 0.000 0.480 483 L N 3.952 125.324 121.223 0.248 0.000 2.416 483 L HA 0.309 4.648 4.340 -0.001 0.000 0.272 483 L C -2.157 174.806 176.870 0.154 0.000 1.161 483 L CA -1.909 53.015 54.840 0.139 0.000 0.845 483 L CB -0.055 42.030 42.059 0.043 0.000 1.119 483 L HN 0.239 nan 8.230 nan 0.000 0.464 484 P HA 0.196 nan 4.420 nan 0.000 0.272 484 P C -2.442 174.920 177.300 0.102 0.000 1.240 484 P CA -1.174 62.007 63.100 0.135 0.000 0.791 484 P CB -0.065 31.718 31.700 0.139 0.000 0.978 488 V N 1.807 121.761 119.914 0.068 0.000 2.448 488 V HA 0.790 4.909 4.120 -0.001 0.000 0.295 488 V C -0.294 175.846 176.094 0.075 0.000 1.025 488 V CA -0.204 62.147 62.300 0.086 0.000 0.859 488 V CB 1.600 33.456 31.823 0.054 0.000 0.988 488 V HN 1.070 nan 8.190 nan 0.000 0.431 489 T N 3.781 118.376 114.554 0.069 0.000 2.900 489 T HA 0.692 5.041 4.350 -0.001 0.000 0.295 489 T C -0.775 173.958 174.700 0.054 0.000 1.044 489 T CA -0.522 61.551 62.100 -0.045 0.000 0.995 489 T CB 2.076 70.736 68.868 -0.348 0.000 1.072 489 T HN 0.335 nan 8.240 nan 0.000 0.473 490 V N 3.517 123.462 119.914 0.050 0.000 2.531 490 V HA 0.498 4.618 4.120 -0.001 0.000 0.301 490 V C -0.655 175.457 176.094 0.029 0.000 1.034 490 V CA -0.849 61.483 62.300 0.053 0.000 0.865 490 V CB 1.593 33.466 31.823 0.083 0.000 0.995 490 V HN 0.705 nan 8.190 nan 0.000 0.424 491 L N 4.047 125.262 121.223 -0.013 0.000 2.296 491 L HA 0.595 4.935 4.340 -0.001 0.000 0.286 491 L C 0.092 176.930 176.870 -0.054 0.000 1.023 491 L CA -0.258 54.544 54.840 -0.063 0.000 0.812 491 L CB 1.671 43.630 42.059 -0.166 0.000 1.223 491 L HN 0.699 nan 8.230 nan 0.000 0.421 492 E N 4.776 124.947 120.200 -0.048 0.000 2.133 492 E HA 0.472 4.822 4.350 -0.001 0.000 0.274 492 E C -1.378 175.123 176.600 -0.165 0.000 0.930 492 E CA -0.619 55.695 56.400 -0.144 0.000 0.770 492 E CB 1.059 30.740 29.700 -0.032 0.000 1.104 492 E HN 0.500 nan 8.360 nan 0.000 0.403 493 L N 4.031 125.113 121.223 -0.236 0.000 2.296 493 L HA 0.444 4.783 4.340 -0.001 0.000 0.286 493 L C -0.247 176.533 176.870 -0.151 0.000 1.023 493 L CA -0.826 53.921 54.840 -0.155 0.000 0.812 493 L CB 1.672 43.647 42.059 -0.140 0.000 1.223 493 L HN 0.510 nan 8.230 nan 0.000 0.421 494 T N 1.805 116.307 114.554 -0.086 0.000 2.797 494 T HA 0.534 4.883 4.350 -0.001 0.000 0.279 494 T C 0.294 174.967 174.700 -0.046 0.000 0.991 494 T CA -0.493 61.567 62.100 -0.066 0.000 0.979 494 T CB 1.819 70.664 68.868 -0.037 0.000 0.943 494 T HN 0.689 nan 8.240 nan 0.000 0.444 495 A N 2.566 125.359 122.820 -0.045 0.000 2.511 495 A HA 0.636 4.956 4.320 -0.001 0.000 0.242 495 A C 1.117 178.689 177.584 -0.020 0.000 1.069 495 A CA 0.626 52.644 52.037 -0.033 0.000 0.763 495 A CB -0.897 18.084 19.000 -0.032 0.000 1.001 495 A HN 1.669 nan 8.150 nan 0.000 0.498 496 G N 0.000 108.791 108.800 -0.014 0.000 5.446 496 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 496 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 496 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925