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 2vrq_1_B DATA FIRST_RESID 4 DATA SEQUENCE ASRVVVNADR VKGTINRNIY GHFSEHLGRC IYEGLWVGED SPIPNTNGIR DATA SEQUENCE NDVLEALKQM KIPVLRWPGG cFADEYHWKD GVGPREKRKR MVNTHWGGVI DATA SEQUENCE ENNHFGTHEF MMLCELLGCE PYISGNVGSG TVQEMSEWVE YITFDGESPM DATA SEQUENCE ANWRRENGRE KPWRIKYWGV GNQNWGcGGN MRAEYYADLY RQFQTYLRNY DATA SEQUENCE GDNKLHKIAC GANTADYHWT EVLMKQAAPF MHGLSLHYYT VPGPWEKKGP DATA SEQUENCE ATGFTTDEWW VTLKKALFMD RLVTKHSAIM DVYDPDKRID LIVDEWGTWY DATA SEQUENCE DVEPGTNPGF LYQQNSIRDA LVAGATLHIF HRHCDRVRMA NIAQLVNVLQ DATA SEQUENCE SVILTEGERM LLTPTYHVFN MFKVHQDAEL LDTWESVERT GPEGELPKVS DATA SEQUENCE VSASRAADGK IHISLCNLDF ETGASVDIEL RGLNGGVSAT GTTLTSGRID DATA SEQUENCE GHNTFDEPER VKPAPFRDFK LEGGHLNASL PPMSVTVLEL 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 0.057 0.000 1.274 4 A CA 0.000 52.071 52.037 0.056 0.000 0.836 4 A CB 0.000 19.038 19.000 0.064 0.000 0.831 5 S N 0.432 116.168 115.700 0.060 0.000 2.565 5 S HA 0.513 4.984 4.470 0.001 0.000 0.276 5 S C 0.339 174.975 174.600 0.061 0.000 1.326 5 S CA -0.178 58.057 58.200 0.058 0.000 1.045 5 S CB 0.664 63.900 63.200 0.060 0.000 0.918 5 S HN 0.647 nan 8.310 nan 0.000 0.505 6 R N 1.815 122.351 120.500 0.060 0.000 2.445 6 R HA 0.656 4.997 4.340 0.001 0.000 0.308 6 R C -1.734 174.602 176.300 0.060 0.000 0.961 6 R CA -0.422 55.717 56.100 0.065 0.000 0.862 6 R CB 0.878 31.222 30.300 0.074 0.000 1.144 6 R HN 0.463 nan 8.270 nan 0.000 0.447 7 V N 4.405 124.343 119.914 0.041 0.000 2.709 7 V HA 0.431 4.552 4.120 0.001 0.000 0.308 7 V C -0.822 175.260 176.094 -0.019 0.000 1.062 7 V CA -0.863 61.448 62.300 0.018 0.000 0.901 7 V CB 2.191 34.007 31.823 -0.011 0.000 1.003 7 V HN 0.488 nan 8.190 nan 0.000 0.425 8 V N 4.568 124.458 119.914 -0.039 0.000 2.409 8 V HA 0.458 4.578 4.120 0.001 0.000 0.291 8 V C -0.317 175.580 176.094 -0.329 0.000 1.020 8 V CA -0.606 61.595 62.300 -0.165 0.000 0.848 8 V CB 1.940 33.696 31.823 -0.111 0.000 0.990 8 V HN 0.616 nan 8.190 nan 0.000 0.430 9 V N 5.207 124.943 119.914 -0.297 0.000 2.333 9 V HA 0.360 4.481 4.120 0.001 0.000 0.274 9 V C 0.219 176.107 176.094 -0.344 0.000 1.028 9 V CA -0.687 61.434 62.300 -0.300 0.000 0.851 9 V CB 1.330 33.033 31.823 -0.199 0.000 1.000 9 V HN 0.825 nan 8.190 nan 0.000 0.456 10 N N 4.410 122.857 118.700 -0.422 0.000 2.719 10 N HA 0.231 4.972 4.740 0.001 0.000 0.243 10 N C 1.099 176.478 175.510 -0.218 0.000 1.104 10 N CA 0.041 52.878 53.050 -0.356 0.000 0.981 10 N CB 1.829 40.045 38.487 -0.451 0.000 1.290 10 N HN 0.788 nan 8.380 nan 0.000 0.513 11 A N 1.378 124.096 122.820 -0.169 0.000 2.125 11 A HA -0.160 4.160 4.320 0.001 0.000 0.219 11 A C 1.421 178.949 177.584 -0.095 0.000 1.156 11 A CA 1.092 53.055 52.037 -0.122 0.000 0.671 11 A CB -0.025 18.912 19.000 -0.105 0.000 0.794 11 A HN 0.591 nan 8.150 nan 0.000 0.459 12 D N -1.631 118.713 120.400 -0.093 0.000 2.340 12 D HA 0.089 4.730 4.640 0.001 0.000 0.217 12 D C 0.513 176.780 176.300 -0.056 0.000 1.081 12 D CA -0.153 53.809 54.000 -0.064 0.000 0.842 12 D CB -0.067 40.703 40.800 -0.051 0.000 0.934 12 D HN 0.232 nan 8.370 nan 0.000 0.511 13 R N 0.967 121.422 120.500 -0.074 0.000 2.358 13 R HA 0.364 4.704 4.340 0.001 0.000 0.309 13 R C -1.602 174.664 176.300 -0.056 0.000 1.026 13 R CA -0.549 55.517 56.100 -0.055 0.000 0.909 13 R CB 0.917 31.183 30.300 -0.056 0.000 1.153 13 R HN -0.201 nan 8.270 nan 0.000 0.515 14 V N 6.029 125.920 119.914 -0.038 0.000 2.461 14 V HA 0.208 4.328 4.120 0.001 0.000 0.275 14 V C 0.640 176.718 176.094 -0.026 0.000 1.047 14 V CA -0.304 61.975 62.300 -0.036 0.000 0.955 14 V CB 1.572 33.379 31.823 -0.027 0.000 0.988 14 V HN 0.692 nan 8.190 nan 0.000 0.471 15 K N 3.268 123.649 120.400 -0.032 0.000 2.374 15 K HA 0.405 4.725 4.320 0.001 0.000 0.196 15 K C 0.683 177.273 176.600 -0.018 0.000 1.023 15 K CA 0.615 56.888 56.287 -0.022 0.000 1.103 15 K CB 0.810 33.292 32.500 -0.029 0.000 0.848 15 K HN 0.957 nan 8.250 nan 0.000 0.528 16 G N -0.051 108.737 108.800 -0.020 0.000 2.359 16 G HA2 -0.085 3.876 3.960 0.001 0.000 0.303 16 G HA3 -0.085 3.876 3.960 0.001 0.000 0.303 16 G C -1.371 173.518 174.900 -0.017 0.000 1.293 16 G CA -0.986 44.108 45.100 -0.011 0.000 0.964 16 G HN -0.102 nan 8.290 nan 0.000 0.531 17 T N 0.907 115.457 114.554 -0.007 0.000 2.771 17 T HA 0.560 4.910 4.350 0.001 0.000 0.281 17 T C 0.600 175.297 174.700 -0.005 0.000 0.982 17 T CA -0.220 61.876 62.100 -0.007 0.000 0.978 17 T CB 1.115 69.986 68.868 0.006 0.000 0.930 17 T HN 0.522 nan 8.240 nan 0.000 0.447 18 I N 4.158 124.713 120.570 -0.024 0.000 2.372 18 I HA 0.073 4.243 4.170 0.001 0.000 0.298 18 I C 1.078 177.229 176.117 0.056 0.000 1.137 18 I CA -0.464 60.833 61.300 -0.005 0.000 1.314 18 I CB -0.052 37.883 38.000 -0.108 0.000 1.444 18 I HN 0.538 nan 8.210 nan 0.000 0.541 19 N N 6.406 125.143 118.700 0.061 0.000 2.357 19 N HA -0.087 4.653 4.740 0.001 0.000 0.257 19 N C 1.474 177.057 175.510 0.122 0.000 1.250 19 N CA 0.229 53.316 53.050 0.061 0.000 0.862 19 N CB 0.797 39.298 38.487 0.022 0.000 1.066 19 N HN 0.590 nan 8.380 nan 0.000 0.468 20 R N 3.193 123.762 120.500 0.115 0.000 2.159 20 R HA -0.091 4.250 4.340 0.001 0.000 0.237 20 R C 0.534 176.967 176.300 0.221 0.000 1.131 20 R CA 1.167 57.372 56.100 0.174 0.000 0.982 20 R CB -0.211 30.153 30.300 0.107 0.000 0.868 20 R HN 0.439 nan 8.270 nan 0.000 0.453 21 N N 1.126 119.889 118.700 0.106 0.000 2.550 21 N HA -0.015 4.725 4.740 0.001 0.000 0.186 21 N C 1.560 177.091 175.510 0.035 0.000 1.110 21 N CA 0.698 53.770 53.050 0.038 0.000 0.912 21 N CB -0.100 38.308 38.487 -0.132 0.000 0.968 21 N HN 0.345 nan 8.380 nan 0.000 0.448 22 I N -0.289 120.324 120.570 0.071 0.000 2.530 22 I HA -0.261 3.909 4.170 0.001 0.000 0.257 22 I C 0.497 176.586 176.117 -0.046 0.000 1.179 22 I CA 1.125 62.401 61.300 -0.039 0.000 1.440 22 I CB -0.132 37.877 38.000 0.016 0.000 1.087 22 I HN 0.100 nan 8.210 nan 0.000 0.440 23 Y N 0.789 121.210 120.300 0.203 0.000 2.645 23 Y HA 0.286 4.836 4.550 0.001 0.000 0.307 23 Y C 1.380 177.424 175.900 0.240 0.000 1.151 23 Y CA -0.592 57.708 58.100 0.334 0.000 1.291 23 Y CB -0.361 38.297 38.460 0.330 0.000 1.135 23 Y HN -0.028 nan 8.280 nan 0.000 0.523 24 G N -0.579 108.325 108.800 0.173 0.000 2.599 24 G HA2 0.276 4.236 3.960 0.001 0.000 0.264 24 G HA3 0.276 4.236 3.960 0.001 0.000 0.264 24 G C -0.457 174.294 174.900 -0.249 0.000 1.200 24 G CA -0.182 44.957 45.100 0.066 0.000 0.896 24 G HN 0.316 nan 8.290 nan 0.000 0.536 25 H N -1.498 117.639 119.070 0.112 0.000 2.906 25 H HA 0.574 5.130 4.556 0.001 0.000 0.337 25 H C -1.710 173.705 175.328 0.146 0.000 1.257 25 H CA -0.406 55.663 56.048 0.035 0.000 1.192 25 H CB 2.435 32.160 29.762 -0.062 0.000 1.912 25 H HN 0.389 nan 8.280 nan 0.000 0.573 26 F N 1.617 121.580 119.950 0.021 0.000 2.630 26 F HA 0.320 4.848 4.527 0.001 0.000 0.325 26 F C -1.435 174.311 175.800 -0.089 0.000 1.184 26 F CA -0.973 56.993 58.000 -0.056 0.000 1.011 26 F CB 1.433 40.352 39.000 -0.135 0.000 1.268 26 F HN 0.396 nan 8.300 nan 0.000 0.480 27 S N 4.405 119.994 115.700 -0.184 0.000 2.707 27 S HA 0.559 5.029 4.470 0.001 0.000 0.303 27 S C -0.970 173.396 174.600 -0.390 0.000 1.132 27 S CA -0.727 57.232 58.200 -0.401 0.000 1.046 27 S CB 1.816 64.920 63.200 -0.161 0.000 1.004 27 S HN 0.823 nan 8.310 nan 0.000 0.483 28 E N 1.709 121.502 120.200 -0.679 0.000 2.227 28 E HA 0.208 4.558 4.350 0.001 0.000 0.268 28 E C -0.549 175.774 176.600 -0.461 0.000 0.990 28 E CA -0.821 55.309 56.400 -0.450 0.000 0.856 28 E CB 0.772 30.185 29.700 -0.479 0.000 1.159 28 E HN 0.771 nan 8.360 nan 0.000 0.401 29 H N 3.657 122.315 119.070 -0.687 0.000 3.356 29 H HA 0.170 4.726 4.556 0.001 0.000 0.260 29 H C -0.588 174.390 175.328 -0.582 0.000 1.570 29 H CA 0.202 55.772 56.048 -0.797 0.000 1.547 29 H CB -0.216 28.655 29.762 -1.485 0.000 1.774 29 H HN 0.241 nan 8.280 nan 0.000 0.542 30 L N 1.979 122.924 121.223 -0.463 0.000 2.505 30 L HA 0.366 4.707 4.340 0.001 0.000 0.266 30 L C 0.702 177.283 176.870 -0.482 0.000 0.954 30 L CA -0.152 54.389 54.840 -0.497 0.000 0.852 30 L CB 1.370 42.897 42.059 -0.887 0.000 1.282 30 L HN 0.744 nan 8.230 nan 0.000 0.403 31 G N 4.128 112.628 108.800 -0.499 0.000 2.672 31 G HA2 -0.370 3.590 3.960 0.001 0.000 0.324 31 G HA3 -0.370 3.590 3.960 0.001 0.000 0.324 31 G C 0.456 174.989 174.900 -0.613 0.000 1.286 31 G CA 0.758 45.335 45.100 -0.872 0.000 1.004 31 G HN 0.733 nan 8.290 nan 0.000 0.548 32 R N -0.482 119.763 120.500 -0.424 0.000 2.609 32 R HA 0.353 4.693 4.340 0.001 0.000 0.326 32 R C 1.968 178.104 176.300 -0.274 0.000 1.090 32 R CA 0.327 56.255 56.100 -0.288 0.000 1.072 32 R CB -0.392 29.787 30.300 -0.202 0.000 1.330 32 R HN 0.507 nan 8.270 nan 0.000 0.572 33 C N 0.287 119.372 119.300 -0.359 0.000 2.453 33 C HA -0.022 4.438 4.460 0.001 0.000 0.277 33 C C 2.153 176.870 174.990 -0.456 0.000 1.262 33 C CA 0.598 59.382 59.018 -0.390 0.000 1.718 33 C CB -0.248 27.211 27.740 -0.469 0.000 2.031 33 C HN 0.424 nan 8.230 nan 0.000 0.480 34 I N -0.856 119.347 120.570 -0.611 0.000 2.522 34 I HA 0.125 4.295 4.170 0.001 0.000 0.240 34 I C 0.472 176.146 176.117 -0.739 0.000 1.078 34 I CA 0.673 61.429 61.300 -0.905 0.000 1.422 34 I CB -1.739 35.380 38.000 -1.469 0.000 1.188 34 I HN 0.195 nan 8.210 nan 0.000 0.442 35 Y N 2.043 122.161 120.300 -0.303 0.000 2.402 35 Y HA 0.175 4.726 4.550 0.001 0.000 0.333 35 Y C 1.458 177.271 175.900 -0.145 0.000 1.076 35 Y CA 0.382 58.404 58.100 -0.130 0.000 1.299 35 Y CB 0.347 38.748 38.460 -0.098 0.000 1.197 35 Y HN 0.246 nan 8.280 nan 0.000 0.517 36 E N 1.258 121.478 120.200 0.033 0.000 4.512 36 E HA -0.287 4.064 4.350 0.001 0.000 0.162 36 E C 1.848 178.392 176.600 -0.093 0.000 1.118 36 E CA 1.019 57.391 56.400 -0.047 0.000 2.523 36 E CB -1.463 28.197 29.700 -0.066 0.000 1.694 36 E HN 0.935 nan 8.360 nan 0.000 0.524 37 G N 0.431 109.150 108.800 -0.135 0.000 2.442 37 G HA2 -0.070 3.890 3.960 0.001 0.000 0.219 37 G HA3 -0.070 3.890 3.960 0.001 0.000 0.219 37 G C 1.469 176.274 174.900 -0.157 0.000 1.141 37 G CA 1.521 46.529 45.100 -0.154 0.000 0.763 37 G HN 0.300 nan 8.290 nan 0.000 0.554 38 L N -3.240 117.874 121.223 -0.182 0.000 2.678 38 L HA 0.349 4.689 4.340 0.001 0.000 0.187 38 L C 0.654 177.505 176.870 -0.031 0.000 1.073 38 L CA -0.561 54.194 54.840 -0.142 0.000 0.883 38 L CB 0.310 42.219 42.059 -0.251 0.000 1.501 38 L HN 0.198 nan 8.230 nan 0.000 0.488 39 W N 2.601 123.749 121.300 -0.253 0.000 2.358 39 W HA 0.374 5.034 4.660 0.001 0.000 0.307 39 W C 0.368 176.901 176.519 0.022 0.000 1.203 39 W CA -0.191 57.119 57.345 -0.059 0.000 1.279 39 W CB 1.546 30.984 29.460 -0.037 0.000 1.264 39 W HN -0.041 nan 8.180 nan 0.000 0.474 40 V N 3.677 123.295 119.914 -0.494 0.000 3.645 40 V HA 0.494 4.615 4.120 0.001 0.000 0.275 40 V C 0.685 176.476 176.094 -0.505 0.000 1.356 40 V CA 0.589 62.677 62.300 -0.352 0.000 1.051 40 V CB -0.307 31.375 31.823 -0.235 0.000 0.828 40 V HN 0.909 nan 8.190 nan 0.000 0.441 41 G N 0.836 108.950 108.800 -1.144 0.000 2.675 41 G HA2 -0.129 3.831 3.960 0.001 0.000 0.686 41 G HA3 -0.129 3.831 3.960 0.001 0.000 0.686 41 G C -0.082 174.535 174.900 -0.471 0.000 1.215 41 G CA 0.075 44.733 45.100 -0.736 0.000 0.777 41 G HN 0.312 nan 8.290 nan 0.000 0.638 42 E N -0.142 119.915 120.200 -0.238 0.000 2.208 42 E HA -0.063 4.288 4.350 0.001 0.000 0.193 42 E C 0.877 177.428 176.600 -0.083 0.000 0.988 42 E CA 1.116 57.436 56.400 -0.133 0.000 0.828 42 E CB 0.135 29.831 29.700 -0.008 0.000 0.763 42 E HN 0.510 nan 8.360 nan 0.000 0.478 43 D N 0.792 121.161 120.400 -0.052 0.000 2.358 43 D HA 0.029 4.669 4.640 0.001 0.000 0.224 43 D C 0.083 176.354 176.300 -0.049 0.000 1.123 43 D CA 0.158 54.139 54.000 -0.032 0.000 0.833 43 D CB 0.365 41.165 40.800 0.001 0.000 0.946 43 D HN -0.097 nan 8.370 nan 0.000 0.505 44 S N 1.747 117.394 115.700 -0.089 0.000 2.565 44 S HA 0.168 4.638 4.470 0.001 0.000 0.276 44 S C -1.136 173.419 174.600 -0.075 0.000 1.326 44 S CA -1.181 56.965 58.200 -0.090 0.000 1.045 44 S CB 1.389 64.506 63.200 -0.138 0.000 0.918 44 S HN -0.051 nan 8.310 nan 0.000 0.505 45 P HA 0.048 nan 4.420 nan 0.000 0.223 45 P C 0.185 177.449 177.300 -0.059 0.000 1.151 45 P CA 0.565 63.634 63.100 -0.052 0.000 0.787 45 P CB -0.136 31.538 31.700 -0.044 0.000 0.788 46 I N 2.609 123.135 120.570 -0.073 0.000 2.581 46 I HA 0.054 4.224 4.170 0.001 0.000 0.285 46 I C -1.977 174.092 176.117 -0.079 0.000 1.129 46 I CA -1.940 59.313 61.300 -0.077 0.000 1.397 46 I CB -0.317 37.628 38.000 -0.091 0.000 1.399 46 I HN -0.188 nan 8.210 nan 0.000 0.537 47 P HA -0.040 nan 4.420 nan 0.000 0.261 47 P C -1.121 176.137 177.300 -0.069 0.000 1.173 47 P CA 0.329 63.395 63.100 -0.057 0.000 0.760 47 P CB 0.205 31.880 31.700 -0.042 0.000 0.783 48 N N -0.138 118.518 118.700 -0.073 0.000 2.825 48 N HA 0.561 5.301 4.740 0.001 0.000 0.253 48 N C -1.596 173.876 175.510 -0.062 0.000 1.426 48 N CA -0.852 52.146 53.050 -0.087 0.000 0.851 48 N CB 1.125 39.522 38.487 -0.151 0.000 1.470 48 N HN -0.019 nan 8.380 nan 0.000 0.517 49 T N 1.374 115.899 114.554 -0.049 0.000 2.864 49 T HA 0.401 4.751 4.350 0.001 0.000 0.310 49 T C -0.448 174.253 174.700 0.002 0.000 1.040 49 T CA -0.511 61.580 62.100 -0.015 0.000 0.977 49 T CB -0.018 68.852 68.868 0.004 0.000 0.976 49 T HN 0.692 nan 8.240 nan 0.000 0.459 50 N N 2.224 120.928 118.700 0.006 0.000 2.714 50 N HA -0.234 4.506 4.740 0.001 0.000 0.250 50 N C 1.140 176.659 175.510 0.015 0.000 1.117 50 N CA 1.651 54.736 53.050 0.059 0.000 0.719 50 N CB -1.364 37.199 38.487 0.127 0.000 1.081 50 N HN 1.247 nan 8.380 nan 0.000 0.557 51 G N -1.327 107.332 108.800 -0.235 0.000 2.213 51 G HA2 -0.276 3.685 3.960 0.001 0.000 0.226 51 G HA3 -0.276 3.685 3.960 0.001 0.000 0.226 51 G C 0.018 174.464 174.900 -0.757 0.000 0.992 51 G CA 0.173 44.781 45.100 -0.819 0.000 0.632 51 G HN 0.420 nan 8.290 nan 0.000 0.511 52 I N 2.553 123.004 120.570 -0.198 0.000 2.359 52 I HA 0.391 4.561 4.170 0.001 0.000 0.294 52 I C 1.122 177.190 176.117 -0.081 0.000 0.987 52 I CA -1.121 60.159 61.300 -0.034 0.000 1.225 52 I CB 1.253 39.332 38.000 0.132 0.000 1.366 52 I HN 0.292 nan 8.210 nan 0.000 0.466 53 R N 4.508 124.954 120.500 -0.090 0.000 2.537 53 R HA 0.197 4.537 4.340 0.001 0.000 0.280 53 R C -0.003 176.263 176.300 -0.057 0.000 1.058 53 R CA -0.492 55.556 56.100 -0.087 0.000 1.057 53 R CB 0.415 30.661 30.300 -0.090 0.000 0.973 53 R HN 0.511 nan 8.270 nan 0.000 0.438 54 N N 2.222 120.891 118.700 -0.051 0.000 2.188 54 N HA -0.175 4.565 4.740 0.001 0.000 0.184 54 N C 0.846 176.336 175.510 -0.033 0.000 1.018 54 N CA 1.775 54.804 53.050 -0.035 0.000 0.858 54 N CB -0.282 38.187 38.487 -0.031 0.000 0.989 54 N HN 0.758 nan 8.380 nan 0.000 0.426 55 D N 0.589 120.965 120.400 -0.040 0.000 2.097 55 D HA -0.103 4.537 4.640 0.001 0.000 0.195 55 D C 1.899 178.169 176.300 -0.049 0.000 0.989 55 D CA 0.834 54.809 54.000 -0.041 0.000 0.827 55 D CB -0.793 39.982 40.800 -0.041 0.000 0.966 55 D HN 0.052 nan 8.370 nan 0.000 0.456 56 V N 0.707 120.588 119.914 -0.054 0.000 2.358 56 V HA -0.187 3.934 4.120 0.001 0.000 0.246 56 V C 2.823 178.892 176.094 -0.042 0.000 1.047 56 V CA 1.154 63.417 62.300 -0.061 0.000 1.035 56 V CB -0.671 31.108 31.823 -0.073 0.000 0.658 56 V HN 0.194 nan 8.190 nan 0.000 0.452 57 L N -0.315 120.888 121.223 -0.032 0.000 1.990 57 L HA -0.209 4.131 4.340 0.001 0.000 0.213 57 L C 2.833 179.701 176.870 -0.004 0.000 1.072 57 L CA 1.660 56.489 54.840 -0.018 0.000 0.755 57 L CB -0.642 41.410 42.059 -0.012 0.000 0.889 57 L HN 0.326 nan 8.230 nan 0.000 0.432 58 E N -0.092 120.106 120.200 -0.003 0.000 2.077 58 E HA -0.191 4.159 4.350 0.001 0.000 0.193 58 E C 2.264 178.884 176.600 0.035 0.000 0.989 58 E CA 1.374 57.781 56.400 0.012 0.000 0.800 58 E CB -0.303 29.399 29.700 0.004 0.000 0.746 58 E HN 0.488 nan 8.360 nan 0.000 0.452 59 A N 1.214 124.047 122.820 0.022 0.000 1.902 59 A HA -0.140 4.181 4.320 0.001 0.000 0.217 59 A C 2.394 180.097 177.584 0.200 0.000 1.181 59 A CA 1.166 53.247 52.037 0.073 0.000 0.623 59 A CB -0.705 18.242 19.000 -0.088 0.000 0.818 59 A HN 0.187 nan 8.150 nan 0.000 0.443 60 L N -1.102 120.176 121.223 0.092 0.000 2.141 60 L HA -0.157 4.184 4.340 0.001 0.000 0.209 60 L C 2.530 179.421 176.870 0.035 0.000 1.094 60 L CA 1.502 56.369 54.840 0.044 0.000 0.763 60 L CB -0.405 41.629 42.059 -0.041 0.000 0.908 60 L HN 0.339 nan 8.230 nan 0.000 0.437 61 K N -0.235 120.188 120.400 0.038 0.000 2.057 61 K HA -0.228 4.092 4.320 0.001 0.000 0.206 61 K C 2.144 178.773 176.600 0.049 0.000 1.050 61 K CA 1.204 57.512 56.287 0.035 0.000 0.935 61 K CB -0.090 32.426 32.500 0.027 0.000 0.715 61 K HN 0.070 nan 8.250 nan 0.000 0.439 62 Q N 1.188 121.034 119.800 0.077 0.000 2.096 62 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 62 Q C 1.862 177.904 176.000 0.070 0.000 0.982 62 Q CA 1.635 57.493 55.803 0.092 0.000 0.850 62 Q CB -0.120 28.707 28.738 0.149 0.000 0.901 62 Q HN 0.288 nan 8.270 nan 0.000 0.422 63 M N -0.244 119.388 119.600 0.053 0.000 2.476 63 M HA -0.054 4.427 4.480 0.001 0.000 0.262 63 M C -0.378 175.930 176.300 0.013 0.000 1.079 63 M CA 1.092 56.358 55.300 -0.056 0.000 1.104 63 M CB 0.186 32.668 32.600 -0.196 0.000 1.409 63 M HN 0.166 nan 8.290 nan 0.000 0.467 64 K N 1.426 121.845 120.400 0.032 0.000 3.162 64 K HA -0.158 4.162 4.320 0.001 0.000 0.268 64 K C -0.138 176.519 176.600 0.095 0.000 1.062 64 K CA 0.317 56.633 56.287 0.047 0.000 0.769 64 K CB -2.276 30.238 32.500 0.024 0.000 1.274 64 K HN 0.603 nan 8.250 nan 0.000 0.478 65 I N 1.363 121.987 120.570 0.091 0.000 2.919 65 I HA -0.090 4.081 4.170 0.001 0.000 0.299 65 I C -0.978 175.231 176.117 0.154 0.000 1.221 65 I CA -0.877 60.514 61.300 0.153 0.000 1.424 65 I CB 0.851 38.877 38.000 0.045 0.000 1.358 65 I HN 0.123 nan 8.210 nan 0.000 0.551 66 P HA 0.100 nan 4.420 nan 0.000 0.226 66 P C -0.059 177.331 177.300 0.149 0.000 1.160 66 P CA 0.417 63.611 63.100 0.158 0.000 0.837 66 P CB 0.571 32.376 31.700 0.174 0.000 0.860 67 V N -0.098 119.922 119.914 0.177 0.000 3.048 67 V HA 0.617 4.738 4.120 0.001 0.000 0.303 67 V C -2.239 173.996 176.094 0.235 0.000 1.214 67 V CA -1.064 61.343 62.300 0.179 0.000 0.984 67 V CB 2.429 34.305 31.823 0.089 0.000 1.054 67 V HN -0.141 nan 8.190 nan 0.000 0.430 68 L N 5.515 126.910 121.223 0.286 0.000 2.406 68 L HA 0.693 5.034 4.340 0.001 0.000 0.272 68 L C -0.492 176.646 176.870 0.446 0.000 0.980 68 L CA -0.257 54.788 54.840 0.341 0.000 0.831 68 L CB 1.724 43.957 42.059 0.291 0.000 1.253 68 L HN 0.847 nan 8.230 nan 0.000 0.406 69 R N 3.757 124.449 120.500 0.321 0.000 2.349 69 R HA 0.577 4.917 4.340 0.001 0.000 0.299 69 R C -1.899 174.528 176.300 0.213 0.000 1.027 69 R CA -0.384 55.756 56.100 0.066 0.000 0.958 69 R CB 0.958 31.095 30.300 -0.271 0.000 1.047 69 R HN 0.775 nan 8.270 nan 0.000 0.468 70 W N 6.786 127.908 121.300 -0.298 0.000 3.275 70 W HA 0.313 4.974 4.660 0.001 0.000 0.306 70 W C -2.536 173.733 176.519 -0.417 0.000 1.259 70 W CA -1.560 55.549 57.345 -0.392 0.000 1.194 70 W CB 1.822 30.701 29.460 -0.968 0.000 1.375 70 W HN 0.419 nan 8.180 nan 0.000 0.564 71 P HA 0.366 nan 4.420 nan 0.000 0.266 71 P C 0.146 177.237 177.300 -0.349 0.000 1.381 71 P CA 0.764 63.019 63.100 -1.407 0.000 0.940 71 P CB 1.243 31.831 31.700 -1.854 0.000 1.435 72 G N -1.385 107.372 108.800 -0.072 0.000 2.315 72 G HA2 0.362 4.323 3.960 0.001 0.000 0.294 72 G HA3 0.362 4.323 3.960 0.001 0.000 0.294 72 G C -0.013 175.016 174.900 0.216 0.000 1.300 72 G CA -0.201 45.063 45.100 0.273 0.000 0.843 72 G HN 0.082 nan 8.290 nan 0.000 0.527 73 G N -0.968 108.058 108.800 0.377 0.000 2.832 73 G HA2 0.229 4.189 3.960 0.001 0.000 0.187 73 G HA3 0.229 4.189 3.960 0.001 0.000 0.187 73 G C 1.784 176.796 174.900 0.188 0.000 1.817 73 G CA 1.441 46.652 45.100 0.185 0.000 0.896 73 G HN 1.089 nan 8.290 nan 0.000 0.453 74 c N -0.205 118.554 118.600 0.265 0.000 2.401 74 c HA -0.074 4.496 4.570 0.001 0.000 0.276 74 c C 2.521 176.768 174.090 0.263 0.000 1.233 74 c CA 0.950 57.355 56.329 0.127 0.000 1.753 74 c CB -1.359 41.065 42.510 -0.143 0.000 2.029 74 c HN 0.457 nan 8.230 nan 0.000 0.478 75 F N 2.244 122.353 119.950 0.266 0.000 2.202 75 F HA -0.096 4.431 4.527 0.001 0.000 0.301 75 F C 2.289 178.095 175.800 0.010 0.000 1.082 75 F CA 1.387 59.487 58.000 0.168 0.000 1.313 75 F CB -0.322 38.776 39.000 0.162 0.000 1.024 75 F HN 0.158 nan 8.300 nan 0.000 0.495 76 A N -0.384 122.473 122.820 0.061 0.000 2.019 76 A HA -0.208 4.113 4.320 0.001 0.000 0.219 76 A C 1.472 178.995 177.584 -0.101 0.000 1.164 76 A CA 1.978 53.968 52.037 -0.078 0.000 0.644 76 A CB -0.903 18.051 19.000 -0.077 0.000 0.805 76 A HN 0.482 nan 8.150 nan 0.000 0.449 77 D N -0.978 119.370 120.400 -0.087 0.000 2.325 77 D HA 0.147 4.787 4.640 0.001 0.000 0.225 77 D C 1.166 177.384 176.300 -0.137 0.000 1.096 77 D CA 0.282 54.225 54.000 -0.094 0.000 0.844 77 D CB 0.276 41.030 40.800 -0.076 0.000 0.925 77 D HN 0.629 nan 8.370 nan 0.000 0.513 78 E N -0.829 119.227 120.200 -0.240 0.000 2.514 78 E HA 0.016 4.367 4.350 0.001 0.000 0.215 78 E C -0.197 176.068 176.600 -0.558 0.000 0.946 78 E CA -0.318 55.885 56.400 -0.327 0.000 1.038 78 E CB 0.603 30.134 29.700 -0.281 0.000 1.069 78 E HN 0.224 nan 8.360 nan 0.000 0.503 79 Y N 2.392 122.221 120.300 -0.786 0.000 2.359 79 Y HA 0.047 4.597 4.550 0.001 0.000 0.330 79 Y C -0.309 175.151 175.900 -0.732 0.000 1.143 79 Y CA -0.298 57.321 58.100 -0.801 0.000 1.318 79 Y CB 0.339 38.368 38.460 -0.718 0.000 1.234 79 Y HN -0.014 nan 8.280 nan 0.000 0.522 80 H N 8.190 126.851 119.070 -0.681 0.000 2.718 80 H HA -0.005 4.552 4.556 0.001 0.000 0.295 80 H C 0.734 175.369 175.328 -1.156 0.000 1.051 80 H CA -0.510 55.124 56.048 -0.691 0.000 1.260 80 H CB 0.163 29.664 29.762 -0.436 0.000 1.403 80 H HN 1.013 nan 8.280 nan 0.000 0.488 81 W N 4.152 124.662 121.300 -1.316 0.000 2.341 81 W HA -0.143 4.518 4.660 0.001 0.000 0.283 81 W C 0.408 176.434 176.519 -0.821 0.000 1.215 81 W CA 0.367 56.807 57.345 -1.508 0.000 1.211 81 W CB -0.390 27.744 29.460 -2.210 0.000 1.131 81 W HN 0.328 nan 8.180 nan 0.000 0.552 82 K N 0.610 120.157 120.400 -1.422 0.000 2.280 82 K HA -0.145 4.176 4.320 0.001 0.000 0.202 82 K C 1.376 177.689 176.600 -0.478 0.000 1.047 82 K CA 1.670 57.292 56.287 -1.108 0.000 0.942 82 K CB -0.260 31.704 32.500 -0.894 0.000 0.739 82 K HN -0.030 nan 8.250 nan 0.000 0.457 83 D N 0.049 120.205 120.400 -0.407 0.000 2.264 83 D HA -0.081 4.559 4.640 0.001 0.000 0.208 83 D C 1.533 177.805 176.300 -0.046 0.000 0.966 83 D CA 0.936 54.833 54.000 -0.173 0.000 0.864 83 D CB -0.043 40.676 40.800 -0.135 0.000 0.933 83 D HN 0.340 nan 8.370 nan 0.000 0.499 84 G N 0.232 109.003 108.800 -0.049 0.000 3.434 84 G HA2 0.308 4.269 3.960 0.001 0.000 0.258 84 G HA3 0.308 4.269 3.960 0.001 0.000 0.258 84 G C 0.468 175.422 174.900 0.090 0.000 1.128 84 G CA 0.016 45.205 45.100 0.148 0.000 0.792 84 G HN 0.204 nan 8.290 nan 0.000 0.539 85 V N -3.510 116.370 119.914 -0.056 0.000 3.046 85 V HA 1.016 5.136 4.120 0.001 0.000 0.316 85 V C 0.454 176.485 176.094 -0.106 0.000 1.104 85 V CA -0.289 61.946 62.300 -0.109 0.000 1.006 85 V CB 1.218 32.852 31.823 -0.317 0.000 1.058 85 V HN 1.347 nan 8.190 nan 0.000 0.440 86 G N 1.750 110.479 108.800 -0.118 0.000 2.655 86 G HA2 -0.002 3.958 3.960 0.001 0.000 0.680 86 G HA3 -0.002 3.958 3.960 0.001 0.000 0.680 86 G C -3.122 171.774 174.900 -0.008 0.000 1.302 86 G CA -0.460 44.643 45.100 0.006 0.000 0.872 86 G HN 0.965 nan 8.290 nan 0.000 0.540 87 P HA 0.146 nan 4.420 nan 0.000 0.258 87 P C 1.015 178.311 177.300 -0.008 0.000 1.172 87 P CA 0.199 63.308 63.100 0.015 0.000 0.762 87 P CB 0.503 32.227 31.700 0.040 0.000 0.764 88 R N 4.369 124.838 120.500 -0.051 0.000 2.120 88 R HA -0.168 4.173 4.340 0.001 0.000 0.234 88 R C 1.698 177.887 176.300 -0.185 0.000 1.123 88 R CA 1.380 57.397 56.100 -0.139 0.000 0.975 88 R CB 0.009 30.195 30.300 -0.190 0.000 0.866 88 R HN 0.503 nan 8.270 nan 0.000 0.446 89 E N 0.010 120.158 120.200 -0.086 0.000 2.427 89 E HA -0.113 4.237 4.350 0.001 0.000 0.196 89 E C 0.453 177.096 176.600 0.071 0.000 1.028 89 E CA 0.695 57.098 56.400 0.004 0.000 0.864 89 E CB 0.243 29.959 29.700 0.027 0.000 0.813 89 E HN 0.141 nan 8.360 nan 0.000 0.514 90 K N 1.271 121.704 120.400 0.055 0.000 2.440 90 K HA 0.238 4.558 4.320 0.001 0.000 0.206 90 K C 0.313 176.960 176.600 0.078 0.000 1.025 90 K CA -0.195 56.132 56.287 0.067 0.000 1.135 90 K CB 0.768 33.302 32.500 0.056 0.000 0.856 90 K HN 0.072 nan 8.250 nan 0.000 0.502 91 R N 1.456 122.017 120.500 0.102 0.000 2.539 91 R HA 0.173 4.514 4.340 0.001 0.000 0.275 91 R C 0.254 176.620 176.300 0.110 0.000 1.077 91 R CA -0.169 55.998 56.100 0.111 0.000 1.097 91 R CB 0.838 31.230 30.300 0.153 0.000 1.018 91 R HN -0.075 nan 8.270 nan 0.000 0.483 92 K N 2.977 123.423 120.400 0.077 0.000 2.401 92 K HA 0.056 4.377 4.320 0.001 0.000 0.278 92 K C 0.402 177.051 176.600 0.082 0.000 1.018 92 K CA -0.175 56.147 56.287 0.058 0.000 0.981 92 K CB 0.562 33.073 32.500 0.019 0.000 0.933 92 K HN 0.246 nan 8.250 nan 0.000 0.477 93 R N 1.856 122.396 120.500 0.066 0.000 2.774 93 R HA 0.243 4.583 4.340 0.001 0.000 0.269 93 R C 0.368 176.714 176.300 0.077 0.000 1.068 93 R CA 0.121 56.263 56.100 0.069 0.000 1.180 93 R CB 0.412 30.739 30.300 0.045 0.000 1.077 93 R HN 0.643 nan 8.270 nan 0.000 0.513 94 M N 0.188 119.849 119.600 0.100 0.000 2.520 94 M HA 0.211 4.691 4.480 0.001 0.000 0.280 94 M C -1.541 174.827 176.300 0.113 0.000 1.232 94 M CA -0.843 54.522 55.300 0.109 0.000 0.892 94 M CB 2.503 35.202 32.600 0.165 0.000 1.728 94 M HN 0.193 nan 8.290 nan 0.000 0.475 95 V N 3.752 123.716 119.914 0.085 0.000 2.353 95 V HA 0.211 4.331 4.120 0.001 0.000 0.264 95 V C 0.257 176.416 176.094 0.109 0.000 1.049 95 V CA -0.623 61.724 62.300 0.080 0.000 0.896 95 V CB 0.559 32.401 31.823 0.032 0.000 1.025 95 V HN 0.738 nan 8.190 nan 0.000 0.475 96 N N 4.076 122.887 118.700 0.186 0.000 2.671 96 N HA -0.013 4.727 4.740 0.001 0.000 0.274 96 N C 1.558 177.148 175.510 0.134 0.000 1.188 96 N CA 0.589 53.798 53.050 0.266 0.000 1.065 96 N CB 0.994 39.708 38.487 0.378 0.000 1.415 96 N HN 0.863 nan 8.380 nan 0.000 0.511 97 T N -0.252 114.280 114.554 -0.036 0.000 2.708 97 T HA -0.159 4.192 4.350 0.001 0.000 0.266 97 T C 1.416 176.003 174.700 -0.188 0.000 1.037 97 T CA 1.330 63.341 62.100 -0.148 0.000 1.146 97 T CB -0.557 68.139 68.868 -0.287 0.000 0.865 97 T HN 0.586 nan 8.240 nan 0.000 0.435 98 H N -0.150 118.786 119.070 -0.223 0.000 2.421 98 H HA 0.086 4.643 4.556 0.001 0.000 0.298 98 H C 0.019 174.976 175.328 -0.619 0.000 1.087 98 H CA 1.044 56.731 56.048 -0.602 0.000 1.330 98 H CB -0.085 29.081 29.762 -0.994 0.000 1.388 98 H HN 0.517 nan 8.280 nan 0.000 0.526 99 W N 0.161 121.623 121.300 0.270 0.000 2.165 99 W HA 0.422 5.082 4.660 0.001 0.000 0.288 99 W C 0.543 177.242 176.519 0.299 0.000 0.900 99 W CA -0.082 57.423 57.345 0.268 0.000 1.914 99 W CB 0.905 30.513 29.460 0.247 0.000 2.091 99 W HN 0.226 nan 8.180 nan 0.000 0.399 100 G N 0.102 109.109 108.800 0.345 0.000 2.217 100 G HA2 -0.181 3.780 3.960 0.001 0.000 0.246 100 G HA3 -0.181 3.780 3.960 0.001 0.000 0.246 100 G C 1.057 176.059 174.900 0.170 0.000 0.990 100 G CA -0.018 45.210 45.100 0.213 0.000 0.627 100 G HN 1.367 nan 8.290 nan 0.000 0.522 101 G N -1.000 107.905 108.800 0.175 0.000 2.283 101 G HA2 0.055 4.016 3.960 0.001 0.000 0.280 101 G HA3 0.055 4.016 3.960 0.001 0.000 0.280 101 G C 1.096 176.074 174.900 0.131 0.000 1.029 101 G CA 1.582 46.750 45.100 0.114 0.000 0.840 101 G HN 2.286 nan 8.290 nan 0.000 0.505 102 V N -2.292 117.741 119.914 0.198 0.000 3.546 102 V HA 0.669 4.789 4.120 0.001 0.000 0.296 102 V C 1.263 177.435 176.094 0.130 0.000 1.082 102 V CA -0.964 61.440 62.300 0.173 0.000 1.086 102 V CB 0.951 32.914 31.823 0.234 0.000 1.174 102 V HN 0.299 nan 8.190 nan 0.000 0.464 103 I N 0.905 121.527 120.570 0.086 0.000 2.331 103 I HA 0.391 4.562 4.170 0.001 0.000 0.292 103 I C 0.014 176.160 176.117 0.050 0.000 0.998 103 I CA -0.242 61.100 61.300 0.069 0.000 1.267 103 I CB 1.378 39.400 38.000 0.036 0.000 1.386 103 I HN 0.825 nan 8.210 nan 0.000 0.476 104 E N 5.598 125.867 120.200 0.115 0.000 2.194 104 E HA 0.067 4.417 4.350 0.001 0.000 0.284 104 E C 0.446 177.097 176.600 0.086 0.000 1.035 104 E CA -0.357 56.130 56.400 0.145 0.000 0.836 104 E CB 0.641 30.542 29.700 0.334 0.000 1.070 104 E HN 0.564 nan 8.360 nan 0.000 0.401 105 N N 4.236 122.906 118.700 -0.050 0.000 2.336 105 N HA -0.054 4.687 4.740 0.001 0.000 0.189 105 N C -0.444 175.156 175.510 0.149 0.000 1.113 105 N CA 0.050 53.064 53.050 -0.060 0.000 0.858 105 N CB -0.156 38.109 38.487 -0.370 0.000 0.970 105 N HN 0.512 nan 8.380 nan 0.000 0.471 106 N N 0.316 119.194 118.700 0.296 0.000 2.693 106 N HA -0.226 4.514 4.740 0.001 0.000 0.249 106 N C -0.061 175.718 175.510 0.448 0.000 1.119 106 N CA 0.850 54.159 53.050 0.432 0.000 0.717 106 N CB -1.772 36.916 38.487 0.335 0.000 1.071 106 N HN 0.676 nan 8.380 nan 0.000 0.555 107 H N -1.642 117.586 119.070 0.263 0.000 2.495 107 H HA -0.013 4.543 4.556 0.001 0.000 0.287 107 H C 0.395 175.641 175.328 -0.137 0.000 1.033 107 H CA 0.395 56.516 56.048 0.122 0.000 1.307 107 H CB 0.191 30.084 29.762 0.217 0.000 1.401 107 H HN 0.209 nan 8.280 nan 0.000 0.555 108 F N 1.537 121.487 119.950 0.000 0.000 2.332 108 F HA 0.430 4.957 4.527 0.001 0.000 0.368 108 F C 0.366 176.276 175.800 0.184 0.000 1.110 108 F CA -0.453 57.368 58.000 -0.298 0.000 1.087 108 F CB 0.625 39.326 39.000 -0.499 0.000 1.235 108 F HN -0.068 nan 8.300 nan 0.000 0.470 109 G N 2.647 111.379 108.800 -0.113 0.000 3.247 109 G HA2 0.194 4.154 3.960 0.001 0.000 0.226 109 G HA3 0.194 4.154 3.960 0.001 0.000 0.226 109 G C 0.446 175.370 174.900 0.039 0.000 1.220 109 G CA -0.013 45.244 45.100 0.262 0.000 0.875 109 G HN 0.369 nan 8.290 nan 0.000 0.606 110 T N 0.174 114.949 114.554 0.368 0.000 2.665 110 T HA -0.143 4.208 4.350 0.001 0.000 0.268 110 T C 1.940 176.576 174.700 -0.106 0.000 1.035 110 T CA 1.882 64.147 62.100 0.275 0.000 1.151 110 T CB -0.495 68.699 68.868 0.544 0.000 0.862 110 T HN 0.451 nan 8.240 nan 0.000 0.438 111 H N 0.722 119.767 119.070 -0.041 0.000 2.353 111 H HA -0.053 4.503 4.556 0.001 0.000 0.300 111 H C 2.481 177.668 175.328 -0.235 0.000 1.090 111 H CA 1.509 57.547 56.048 -0.017 0.000 1.327 111 H CB 0.029 29.909 29.762 0.196 0.000 1.383 111 H HN 0.403 nan 8.280 nan 0.000 0.508 112 E N 0.495 120.508 120.200 -0.311 0.000 2.110 112 E HA -0.142 4.208 4.350 0.001 0.000 0.193 112 E C 1.895 178.023 176.600 -0.787 0.000 0.988 112 E CA 0.700 56.734 56.400 -0.609 0.000 0.804 112 E CB -0.357 28.672 29.700 -1.118 0.000 0.745 112 E HN 0.327 nan 8.360 nan 0.000 0.458 113 F N 0.259 119.485 119.950 -1.205 0.000 2.146 113 F HA -0.130 4.397 4.527 0.001 0.000 0.298 113 F C 2.008 177.456 175.800 -0.588 0.000 1.096 113 F CA 1.104 58.515 58.000 -0.982 0.000 1.275 113 F CB -0.085 37.960 39.000 -1.593 0.000 1.008 113 F HN -0.012 nan 8.300 nan 0.000 0.480 114 M N -0.201 118.953 119.600 -0.744 0.000 2.117 114 M HA -0.157 4.323 4.480 0.001 0.000 0.262 114 M C 2.197 178.196 176.300 -0.502 0.000 1.065 114 M CA 1.653 56.447 55.300 -0.845 0.000 1.114 114 M CB -0.844 30.827 32.600 -1.548 0.000 1.361 114 M HN 0.374 nan 8.290 nan 0.000 0.408 115 M N -0.352 119.069 119.600 -0.297 0.000 2.086 115 M HA -0.150 4.330 4.480 0.001 0.000 0.261 115 M C 1.869 178.097 176.300 -0.119 0.000 1.067 115 M CA 1.715 56.964 55.300 -0.086 0.000 1.116 115 M CB -0.996 31.621 32.600 0.028 0.000 1.348 115 M HN 0.272 nan 8.290 nan 0.000 0.407 116 L N 0.079 121.199 121.223 -0.172 0.000 2.013 116 L HA -0.240 4.100 4.340 0.001 0.000 0.212 116 L C 2.275 179.016 176.870 -0.214 0.000 1.073 116 L CA 2.121 56.885 54.840 -0.126 0.000 0.753 116 L CB -1.237 40.786 42.059 -0.061 0.000 0.890 116 L HN 0.543 nan 8.230 nan 0.000 0.432 117 C N -0.329 118.724 119.300 -0.411 0.000 2.435 117 C HA -0.097 4.363 4.460 0.001 0.000 0.279 117 C C 2.518 177.411 174.990 -0.161 0.000 1.321 117 C CA 0.801 59.620 59.018 -0.331 0.000 1.752 117 C CB -1.004 26.448 27.740 -0.481 0.000 1.959 117 C HN 0.609 nan 8.230 nan 0.000 0.500 118 E N 0.873 120.994 120.200 -0.131 0.000 2.047 118 E HA -0.154 4.196 4.350 0.001 0.000 0.191 118 E C 2.029 178.617 176.600 -0.019 0.000 0.987 118 E CA 1.039 57.417 56.400 -0.036 0.000 0.799 118 E CB -0.208 29.503 29.700 0.017 0.000 0.752 118 E HN 0.620 nan 8.360 nan 0.000 0.449 119 L N 0.600 121.808 121.223 -0.025 0.000 2.131 119 L HA -0.168 4.173 4.340 0.001 0.000 0.210 119 L C 2.331 179.194 176.870 -0.011 0.000 1.092 119 L CA 0.806 55.642 54.840 -0.006 0.000 0.759 119 L CB -0.249 41.812 42.059 0.003 0.000 0.903 119 L HN 0.169 nan 8.230 nan 0.000 0.435 120 L N -0.636 120.570 121.223 -0.029 0.000 2.341 120 L HA 0.093 4.433 4.340 0.001 0.000 0.214 120 L C 1.482 178.350 176.870 -0.005 0.000 1.115 120 L CA 0.630 55.458 54.840 -0.020 0.000 0.820 120 L CB -0.452 41.585 42.059 -0.037 0.000 0.944 120 L HN 0.490 nan 8.230 nan 0.000 0.452 121 G N 0.462 109.257 108.800 -0.008 0.000 2.176 121 G HA2 -0.289 3.672 3.960 0.001 0.000 0.252 121 G HA3 -0.289 3.672 3.960 0.001 0.000 0.252 121 G C 0.225 175.137 174.900 0.020 0.000 1.024 121 G CA 0.206 45.312 45.100 0.009 0.000 0.755 121 G HN 0.475 nan 8.290 nan 0.000 0.507 122 C N -1.363 117.942 119.300 0.008 0.000 2.505 122 C HA 0.903 5.364 4.460 0.001 0.000 0.358 122 C C 0.416 175.433 174.990 0.045 0.000 1.226 122 C CA -1.624 57.418 59.018 0.041 0.000 1.900 122 C CB 1.944 29.716 27.740 0.053 0.000 2.306 122 C HN 0.404 nan 8.230 nan 0.000 0.512 123 E N 2.734 123.001 120.200 0.111 0.000 2.289 123 E HA 0.350 4.701 4.350 0.001 0.000 0.278 123 E C -2.278 174.438 176.600 0.193 0.000 1.032 123 E CA -1.386 55.113 56.400 0.165 0.000 0.854 123 E CB 0.866 30.746 29.700 0.300 0.000 1.046 123 E HN 0.567 nan 8.360 nan 0.000 0.409 124 P HA 0.064 nan 4.420 nan 0.000 0.278 124 P C -0.804 176.789 177.300 0.489 0.000 1.238 124 P CA -0.232 63.035 63.100 0.278 0.000 0.794 124 P CB 0.452 32.243 31.700 0.153 0.000 0.955 125 Y N 3.643 124.172 120.300 0.381 0.000 2.333 125 Y HA 0.465 5.015 4.550 0.001 0.000 0.324 125 Y C -1.185 174.748 175.900 0.055 0.000 1.033 125 Y CA -1.923 56.317 58.100 0.234 0.000 1.224 125 Y CB 0.358 38.921 38.460 0.172 0.000 1.120 125 Y HN 0.226 nan 8.280 nan 0.000 0.457 126 I N 4.187 124.767 120.570 0.018 0.000 2.392 126 I HA 0.300 4.470 4.170 0.001 0.000 0.295 126 I C 0.111 175.746 176.117 -0.804 0.000 0.985 126 I CA -0.700 60.270 61.300 -0.550 0.000 1.221 126 I CB 1.741 39.118 38.000 -1.039 0.000 1.366 126 I HN 0.522 nan 8.210 nan 0.000 0.467 127 S N 4.187 119.484 115.700 -0.672 0.000 2.438 127 S HA 0.587 5.057 4.470 0.001 0.000 0.316 127 S C 0.054 174.454 174.600 -0.333 0.000 1.084 127 S CA -0.598 57.313 58.200 -0.482 0.000 1.107 127 S CB 0.712 63.686 63.200 -0.377 0.000 0.981 127 S HN 0.769 nan 8.310 nan 0.000 0.466 128 G N 3.072 111.738 108.800 -0.223 0.000 2.504 128 G HA2 0.238 4.199 3.960 0.001 0.000 0.288 128 G HA3 0.238 4.199 3.960 0.001 0.000 0.288 128 G C -0.227 174.788 174.900 0.192 0.000 1.182 128 G CA -0.599 44.627 45.100 0.211 0.000 0.894 128 G HN 0.657 nan 8.290 nan 0.000 0.521 129 N N 0.895 119.753 118.700 0.264 0.000 2.420 129 N HA 0.169 4.909 4.740 0.001 0.000 0.249 129 N C 0.864 176.379 175.510 0.009 0.000 1.033 129 N CA -0.422 52.682 53.050 0.091 0.000 0.944 129 N CB 1.592 40.099 38.487 0.033 0.000 1.113 129 N HN 0.042 nan 8.380 nan 0.000 0.502 130 V N 3.237 123.065 119.914 -0.144 0.000 2.672 130 V HA 0.117 4.237 4.120 0.001 0.000 0.242 130 V C 2.192 178.225 176.094 -0.101 0.000 1.059 130 V CA 1.513 63.577 62.300 -0.395 0.000 1.081 130 V CB -0.690 30.870 31.823 -0.439 0.000 0.752 130 V HN 0.734 nan 8.190 nan 0.000 0.472 131 G N 0.566 109.343 108.800 -0.039 0.000 2.446 131 G HA2 -0.242 3.718 3.960 0.001 0.000 0.217 131 G HA3 -0.242 3.718 3.960 0.001 0.000 0.217 131 G C 1.430 176.374 174.900 0.072 0.000 1.168 131 G CA 1.597 46.711 45.100 0.024 0.000 0.771 131 G HN 0.690 nan 8.290 nan 0.000 0.551 132 S N -0.892 114.846 115.700 0.062 0.000 2.846 132 S HA 0.553 5.024 4.470 0.001 0.000 0.249 132 S C 0.746 175.473 174.600 0.212 0.000 1.028 132 S CA 0.207 58.476 58.200 0.115 0.000 1.043 132 S CB 0.791 64.040 63.200 0.081 0.000 0.990 132 S HN 0.548 nan 8.310 nan 0.000 0.564 133 G N 1.278 110.206 108.800 0.214 0.000 2.601 133 G HA2 0.649 4.609 3.960 0.001 0.000 0.317 133 G HA3 0.649 4.609 3.960 0.001 0.000 0.317 133 G C -0.415 174.721 174.900 0.393 0.000 1.246 133 G CA -0.299 44.991 45.100 0.318 0.000 1.012 133 G HN 0.476 nan 8.290 nan 0.000 0.494 134 T N -3.106 111.666 114.554 0.363 0.000 2.942 134 T HA 0.419 4.769 4.350 0.001 0.000 0.289 134 T C 1.200 175.980 174.700 0.133 0.000 1.044 134 T CA -0.426 61.808 62.100 0.223 0.000 1.023 134 T CB 1.534 70.452 68.868 0.082 0.000 1.123 134 T HN 0.213 nan 8.240 nan 0.000 0.512 135 V N 1.278 120.971 119.914 -0.369 0.000 2.343 135 V HA -0.183 3.937 4.120 0.001 0.000 0.247 135 V C 3.002 179.003 176.094 -0.156 0.000 1.051 135 V CA 2.329 64.281 62.300 -0.580 0.000 1.036 135 V CB -0.992 30.370 31.823 -0.767 0.000 0.654 135 V HN 1.035 nan 8.190 nan 0.000 0.451 136 Q N 0.108 119.836 119.800 -0.119 0.000 2.084 136 Q HA -0.284 4.056 4.340 0.001 0.000 0.202 136 Q C 2.331 178.430 176.000 0.165 0.000 0.978 136 Q CA 2.206 58.000 55.803 -0.015 0.000 0.844 136 Q CB -0.187 28.530 28.738 -0.035 0.000 0.898 136 Q HN 0.791 nan 8.270 nan 0.000 0.426 137 E N 0.028 120.363 120.200 0.225 0.000 2.077 137 E HA -0.243 4.107 4.350 0.001 0.000 0.193 137 E C 2.039 179.003 176.600 0.607 0.000 0.989 137 E CA 1.358 58.001 56.400 0.406 0.000 0.800 137 E CB -0.176 29.725 29.700 0.335 0.000 0.746 137 E HN 0.470 nan 8.360 nan 0.000 0.452 138 M N 0.090 120.006 119.600 0.527 0.000 2.200 138 M HA -0.132 4.348 4.480 0.001 0.000 0.265 138 M C 2.469 178.993 176.300 0.373 0.000 1.066 138 M CA 1.423 57.078 55.300 0.591 0.000 1.127 138 M CB -0.020 32.980 32.600 0.667 0.000 1.379 138 M HN 0.127 nan 8.290 nan 0.000 0.420 139 S N 0.371 116.229 115.700 0.264 0.000 2.368 139 S HA -0.198 4.272 4.470 0.001 0.000 0.225 139 S C 1.561 176.294 174.600 0.222 0.000 1.030 139 S CA 1.767 60.072 58.200 0.176 0.000 0.999 139 S CB -0.319 62.972 63.200 0.152 0.000 0.844 139 S HN 0.589 nan 8.310 nan 0.000 0.459 140 E N -0.688 119.703 120.200 0.320 0.000 2.153 140 E HA -0.152 4.198 4.350 0.001 0.000 0.194 140 E C 1.698 178.512 176.600 0.356 0.000 0.988 140 E CA 0.996 57.644 56.400 0.413 0.000 0.811 140 E CB -0.219 29.828 29.700 0.577 0.000 0.746 140 E HN 0.668 nan 8.360 nan 0.000 0.466 141 W N 1.201 122.428 121.300 -0.122 0.000 2.355 141 W HA -0.166 4.494 4.660 0.001 0.000 0.309 141 W C 2.009 178.383 176.519 -0.242 0.000 1.206 141 W CA 0.882 57.749 57.345 -0.797 0.000 1.284 141 W CB -0.683 28.326 29.460 -0.751 0.000 1.145 141 W HN -0.155 nan 8.180 nan 0.000 0.502 142 V N 0.452 120.340 119.914 -0.042 0.000 2.407 142 V HA -0.294 3.827 4.120 0.001 0.000 0.248 142 V C 2.287 178.462 176.094 0.136 0.000 1.055 142 V CA 2.369 64.558 62.300 -0.185 0.000 1.049 142 V CB -0.849 30.729 31.823 -0.408 0.000 0.662 142 V HN 0.190 nan 8.190 nan 0.000 0.455 143 E N -0.685 119.625 120.200 0.184 0.000 2.047 143 E HA -0.261 4.089 4.350 0.001 0.000 0.191 143 E C 2.208 178.894 176.600 0.142 0.000 0.987 143 E CA 1.484 57.896 56.400 0.020 0.000 0.799 143 E CB -0.267 29.414 29.700 -0.032 0.000 0.752 143 E HN 0.686 nan 8.360 nan 0.000 0.449 144 Y N 1.168 121.558 120.300 0.150 0.000 2.114 144 Y HA -0.260 4.291 4.550 0.001 0.000 0.282 144 Y C 2.007 178.051 175.900 0.242 0.000 1.165 144 Y CA 2.145 60.384 58.100 0.231 0.000 1.148 144 Y CB -0.103 38.489 38.460 0.219 0.000 0.972 144 Y HN 0.057 nan 8.280 nan 0.000 0.504 145 I N -0.831 120.018 120.570 0.466 0.000 2.286 145 I HA -0.226 3.945 4.170 0.001 0.000 0.245 145 I C 2.146 178.467 176.117 0.341 0.000 1.104 145 I CA 1.879 63.492 61.300 0.523 0.000 1.397 145 I CB -0.398 37.874 38.000 0.453 0.000 1.072 145 I HN 0.392 nan 8.210 nan 0.000 0.417 146 T N -2.925 111.774 114.554 0.241 0.000 2.971 146 T HA 0.126 4.476 4.350 0.001 0.000 0.252 146 T C 0.386 175.192 174.700 0.176 0.000 1.022 146 T CA -0.268 61.965 62.100 0.222 0.000 0.980 146 T CB -0.210 68.830 68.868 0.286 0.000 1.044 146 T HN -0.018 nan 8.240 nan 0.000 0.501 147 F N 4.873 124.741 119.950 -0.138 0.000 2.456 147 F HA 0.362 4.889 4.527 0.001 0.000 0.358 147 F C 0.703 176.418 175.800 -0.143 0.000 1.095 147 F CA -1.943 55.896 58.000 -0.269 0.000 1.216 147 F CB 1.050 39.694 39.000 -0.593 0.000 1.125 147 F HN 0.147 nan 8.300 nan 0.000 0.549 148 D N 2.311 122.280 120.400 -0.718 0.000 2.349 148 D HA 0.174 4.814 4.640 0.001 0.000 0.214 148 D C 0.856 176.660 176.300 -0.826 0.000 1.063 148 D CA 0.166 53.802 54.000 -0.607 0.000 0.847 148 D CB -0.222 40.397 40.800 -0.302 0.000 0.933 148 D HN 0.554 nan 8.370 nan 0.000 0.513 149 G N -0.061 107.723 108.800 -1.694 0.000 2.736 149 G HA2 0.403 4.364 3.960 0.001 0.000 0.229 149 G HA3 0.403 4.364 3.960 0.001 0.000 0.229 149 G C -0.704 173.955 174.900 -0.403 0.000 1.380 149 G CA -0.773 43.770 45.100 -0.928 0.000 1.040 149 G HN 0.049 nan 8.290 nan 0.000 0.568 150 E N 0.137 120.325 120.200 -0.019 0.000 2.146 150 E HA 0.478 4.829 4.350 0.001 0.000 0.282 150 E C -0.552 176.205 176.600 0.262 0.000 0.989 150 E CA -0.273 56.184 56.400 0.095 0.000 0.799 150 E CB 1.393 31.130 29.700 0.062 0.000 1.088 150 E HN 0.512 nan 8.360 nan 0.000 0.397 151 S N 1.605 117.450 115.700 0.243 0.000 2.588 151 S HA 0.336 4.807 4.470 0.001 0.000 0.269 151 S C -2.541 172.164 174.600 0.174 0.000 1.157 151 S CA -1.386 56.938 58.200 0.207 0.000 0.824 151 S CB 1.727 65.056 63.200 0.214 0.000 1.126 151 S HN 0.064 nan 8.310 nan 0.000 0.464 152 P HA -0.121 nan 4.420 nan 0.000 0.216 152 P C 1.540 179.008 177.300 0.280 0.000 1.153 152 P CA 1.533 64.719 63.100 0.143 0.000 0.858 152 P CB -0.034 31.717 31.700 0.086 0.000 0.789 153 M N -1.304 118.502 119.600 0.342 0.000 2.099 153 M HA -0.040 4.441 4.480 0.001 0.000 0.262 153 M C 2.152 178.684 176.300 0.387 0.000 1.067 153 M CA 1.856 57.489 55.300 0.554 0.000 1.124 153 M CB -1.933 30.979 32.600 0.520 0.000 1.353 153 M HN -0.109 nan 8.290 nan 0.000 0.410 154 A N 0.676 123.643 122.820 0.244 0.000 1.930 154 A HA -0.150 4.171 4.320 0.001 0.000 0.217 154 A C 1.940 179.555 177.584 0.050 0.000 1.175 154 A CA 1.614 53.702 52.037 0.086 0.000 0.627 154 A CB -0.725 18.346 19.000 0.118 0.000 0.815 154 A HN 0.470 nan 8.150 nan 0.000 0.443 155 N N -1.189 117.591 118.700 0.135 0.000 2.223 155 N HA -0.172 4.569 4.740 0.001 0.000 0.185 155 N C 1.321 176.969 175.510 0.230 0.000 1.016 155 N CA 1.285 54.412 53.050 0.129 0.000 0.863 155 N CB -0.479 38.080 38.487 0.120 0.000 0.983 155 N HN 0.757 nan 8.380 nan 0.000 0.429 156 W N 2.799 124.159 121.300 0.099 0.000 2.379 156 W HA 0.029 4.689 4.660 0.001 0.000 0.307 156 W C 2.369 178.988 176.519 0.166 0.000 1.200 156 W CA 0.870 58.334 57.345 0.199 0.000 1.297 156 W CB -0.625 29.065 29.460 0.383 0.000 1.140 156 W HN 0.006 nan 8.180 nan 0.000 0.507 157 R N 0.424 120.887 120.500 -0.062 0.000 2.091 157 R HA -0.197 4.143 4.340 0.001 0.000 0.238 157 R C 2.383 178.654 176.300 -0.048 0.000 1.136 157 R CA 1.957 57.830 56.100 -0.379 0.000 0.959 157 R CB -0.414 29.383 30.300 -0.838 0.000 0.856 157 R HN 0.155 nan 8.270 nan 0.000 0.437 158 R N 0.324 120.799 120.500 -0.043 0.000 2.073 158 R HA -0.138 4.203 4.340 0.001 0.000 0.234 158 R C 2.229 178.560 176.300 0.052 0.000 1.134 158 R CA 1.964 58.053 56.100 -0.019 0.000 0.952 158 R CB -0.286 29.997 30.300 -0.028 0.000 0.850 158 R HN 0.416 nan 8.270 nan 0.000 0.433 159 E N 0.397 120.669 120.200 0.120 0.000 2.209 159 E HA -0.146 4.205 4.350 0.001 0.000 0.196 159 E C 1.187 177.858 176.600 0.119 0.000 0.993 159 E CA 0.879 57.365 56.400 0.143 0.000 0.819 159 E CB -0.018 29.825 29.700 0.239 0.000 0.745 159 E HN 0.273 nan 8.360 nan 0.000 0.477 160 N N -0.847 117.918 118.700 0.109 0.000 2.336 160 N HA 0.045 4.785 4.740 0.001 0.000 0.189 160 N C 0.719 176.212 175.510 -0.028 0.000 1.113 160 N CA 0.878 53.920 53.050 -0.013 0.000 0.858 160 N CB 1.410 39.817 38.487 -0.133 0.000 0.970 160 N HN 0.286 nan 8.380 nan 0.000 0.471 161 G N 0.704 109.546 108.800 0.071 0.000 2.184 161 G HA2 -0.228 3.732 3.960 0.001 0.000 0.206 161 G HA3 -0.228 3.732 3.960 0.001 0.000 0.206 161 G C 0.110 175.060 174.900 0.084 0.000 0.995 161 G CA -0.351 44.794 45.100 0.075 0.000 0.651 161 G HN 0.357 nan 8.290 nan 0.000 0.511 162 R N 0.765 121.299 120.500 0.058 0.000 2.320 162 R HA 0.685 5.025 4.340 0.001 0.000 0.319 162 R C 0.805 176.935 176.300 -0.284 0.000 0.969 162 R CA -0.138 55.846 56.100 -0.193 0.000 0.857 162 R CB 1.204 31.164 30.300 -0.567 0.000 1.160 162 R HN 0.160 nan 8.270 nan 0.000 0.491 163 E N 3.379 123.445 120.200 -0.225 0.000 2.021 163 E HA 0.048 4.398 4.350 0.001 0.000 0.189 163 E C -0.396 176.056 176.600 -0.248 0.000 0.980 163 E CA 1.378 57.666 56.400 -0.188 0.000 0.803 163 E CB 0.234 29.861 29.700 -0.123 0.000 0.766 163 E HN 0.517 nan 8.360 nan 0.000 0.449 164 K N 1.829 122.069 120.400 -0.266 0.000 2.202 164 K HA 0.207 4.527 4.320 0.001 0.000 0.264 164 K C -2.260 174.103 176.600 -0.394 0.000 1.010 164 K CA -1.859 54.269 56.287 -0.265 0.000 0.940 164 K CB 0.673 33.058 32.500 -0.192 0.000 0.983 164 K HN 0.201 nan 8.250 nan 0.000 0.475 165 P HA -0.013 nan 4.420 nan 0.000 0.272 165 P C -0.558 176.611 177.300 -0.219 0.000 1.240 165 P CA -0.061 62.878 63.100 -0.268 0.000 0.791 165 P CB 0.541 32.182 31.700 -0.098 0.000 0.978 166 W N 0.545 121.835 121.300 -0.017 0.000 2.390 166 W HA 0.304 4.964 4.660 0.001 0.000 0.362 166 W C 0.844 177.379 176.519 0.027 0.000 1.206 166 W CA -0.241 57.104 57.345 -0.001 0.000 1.355 166 W CB 0.574 30.036 29.460 0.002 0.000 1.278 166 W HN 0.150 nan 8.180 nan 0.000 0.653 167 R N 1.649 122.317 120.500 0.281 0.000 2.428 167 R HA 0.625 4.966 4.340 0.001 0.000 0.294 167 R C -0.786 175.613 176.300 0.166 0.000 1.000 167 R CA -1.014 55.192 56.100 0.177 0.000 0.960 167 R CB 1.726 32.093 30.300 0.111 0.000 1.076 167 R HN 0.588 nan 8.270 nan 0.000 0.475 168 I N 1.086 121.742 120.570 0.143 0.000 2.692 168 I HA 0.222 4.393 4.170 0.001 0.000 0.293 168 I C 0.159 176.315 176.117 0.065 0.000 1.200 168 I CA -0.351 61.029 61.300 0.134 0.000 1.036 168 I CB 2.076 40.215 38.000 0.232 0.000 1.258 168 I HN 0.484 nan 8.210 nan 0.000 0.421 169 K N 4.539 124.892 120.400 -0.079 0.000 2.161 169 K HA 0.162 4.483 4.320 0.001 0.000 0.205 169 K C -0.603 175.889 176.600 -0.180 0.000 1.035 169 K CA 0.628 56.740 56.287 -0.291 0.000 0.970 169 K CB 0.075 32.084 32.500 -0.819 0.000 0.866 169 K HN 0.408 nan 8.250 nan 0.000 0.461 170 Y N 0.410 120.791 120.300 0.135 0.000 2.393 170 Y HA 0.082 4.633 4.550 0.001 0.000 0.338 170 Y C -0.211 175.858 175.900 0.282 0.000 1.029 170 Y CA -0.537 57.597 58.100 0.057 0.000 1.239 170 Y CB 0.378 38.658 38.460 -0.301 0.000 1.170 170 Y HN 0.172 nan 8.280 nan 0.000 0.515 171 W N 4.228 125.687 121.300 0.264 0.000 2.687 171 W HA 0.540 5.200 4.660 0.001 0.000 0.328 171 W C -0.713 176.005 176.519 0.331 0.000 1.012 171 W CA -1.309 56.197 57.345 0.268 0.000 1.262 171 W CB 2.022 31.567 29.460 0.141 0.000 1.331 171 W HN 0.674 nan 8.180 nan 0.000 0.433 172 G N 3.198 112.137 108.800 0.231 0.000 2.325 172 G HA2 0.419 4.380 3.960 0.001 0.000 0.298 172 G HA3 0.419 4.380 3.960 0.001 0.000 0.298 172 G C -0.964 174.089 174.900 0.254 0.000 1.134 172 G CA -0.434 44.856 45.100 0.316 0.000 0.876 172 G HN 0.245 nan 8.290 nan 0.000 0.452 173 V N 3.106 123.272 119.914 0.419 0.000 2.221 173 V HA 0.608 4.728 4.120 0.001 0.000 0.258 173 V C 1.032 177.305 176.094 0.300 0.000 1.179 173 V CA 0.585 63.135 62.300 0.418 0.000 1.022 173 V CB -0.759 31.389 31.823 0.541 0.000 1.228 173 V HN 1.488 nan 8.190 nan 0.000 0.487 174 G N 3.684 112.561 108.800 0.127 0.000 2.712 174 G HA2 -0.162 3.799 3.960 0.001 0.000 0.686 174 G HA3 -0.162 3.799 3.960 0.001 0.000 0.686 174 G C -0.810 174.053 174.900 -0.060 0.000 1.321 174 G CA -0.193 44.923 45.100 0.027 0.000 0.813 174 G HN 1.002 nan 8.290 nan 0.000 0.599 175 N N -0.003 118.596 118.700 -0.169 0.000 2.295 175 N HA 0.531 5.271 4.740 0.001 0.000 0.293 175 N C 0.484 175.715 175.510 -0.465 0.000 1.040 175 N CA -0.130 52.775 53.050 -0.243 0.000 0.840 175 N CB 1.102 39.501 38.487 -0.147 0.000 1.468 175 N HN 0.914 nan 8.380 nan 0.000 0.478 176 Q N 0.968 120.309 119.800 -0.765 0.000 2.416 176 Q HA -0.274 4.067 4.340 0.001 0.000 0.319 176 Q C -0.303 174.833 176.000 -1.441 0.000 1.318 176 Q CA 0.643 55.507 55.803 -1.566 0.000 0.915 176 Q CB -1.688 26.323 28.738 -1.211 0.000 1.184 176 Q HN 0.726 nan 8.270 nan 0.000 0.444 177 N N -0.023 118.015 118.700 -1.103 0.000 2.453 177 N HA -0.127 4.613 4.740 0.001 0.000 0.183 177 N C 1.304 176.607 175.510 -0.345 0.000 1.041 177 N CA 1.401 54.109 53.050 -0.569 0.000 0.900 177 N CB -0.076 38.171 38.487 -0.400 0.000 0.961 177 N HN 0.610 nan 8.380 nan 0.000 0.443 178 W N -0.117 120.976 121.300 -0.345 0.000 2.595 178 W HA 0.275 4.936 4.660 0.001 0.000 0.257 178 W C 0.890 177.328 176.519 -0.135 0.000 1.267 178 W CA 0.403 57.607 57.345 -0.234 0.000 1.300 178 W CB -0.652 28.435 29.460 -0.622 0.000 1.120 178 W HN -0.032 nan 8.180 nan 0.000 0.618 179 G N 1.021 109.698 108.800 -0.205 0.000 2.844 179 G HA2 -0.022 3.938 3.960 0.001 0.000 0.204 179 G HA3 -0.022 3.938 3.960 0.001 0.000 0.204 179 G C 0.993 175.791 174.900 -0.171 0.000 1.815 179 G CA 0.630 45.686 45.100 -0.074 0.000 0.739 179 G HN 0.207 nan 8.290 nan 0.000 0.807 180 c N 0.936 119.381 118.600 -0.259 0.000 2.449 180 c HA 0.322 4.892 4.570 0.001 0.000 0.283 180 c C 2.366 176.360 174.090 -0.161 0.000 1.453 180 c CA 0.677 56.870 56.329 -0.226 0.000 1.779 180 c CB -1.202 41.041 42.510 -0.444 0.000 1.779 180 c HN 0.542 nan 8.230 nan 0.000 0.546 181 G N -0.573 108.081 108.800 -0.244 0.000 3.383 181 G HA2 0.450 4.410 3.960 0.001 0.000 0.251 181 G HA3 0.450 4.410 3.960 0.001 0.000 0.251 181 G C 1.081 175.936 174.900 -0.076 0.000 1.203 181 G CA 0.568 45.563 45.100 -0.175 0.000 0.852 181 G HN 1.447 nan 8.290 nan 0.000 0.531 182 G N 0.055 108.841 108.800 -0.023 0.000 2.273 182 G HA2 -0.200 3.761 3.960 0.001 0.000 0.162 182 G HA3 -0.200 3.761 3.960 0.001 0.000 0.162 182 G C 0.311 175.279 174.900 0.114 0.000 1.006 182 G CA -0.138 45.005 45.100 0.071 0.000 0.704 182 G HN 0.532 nan 8.290 nan 0.000 0.487 183 N N -0.223 118.523 118.700 0.077 0.000 2.725 183 N HA -0.158 4.582 4.740 0.001 0.000 0.251 183 N C 0.424 176.067 175.510 0.221 0.000 1.031 183 N CA 1.339 54.467 53.050 0.129 0.000 0.720 183 N CB -0.714 37.832 38.487 0.098 0.000 0.930 183 N HN 0.685 nan 8.380 nan 0.000 0.543 184 M N 0.323 120.107 119.600 0.306 0.000 2.277 184 M HA 0.270 4.751 4.480 0.001 0.000 0.350 184 M C 0.906 177.518 176.300 0.519 0.000 1.180 184 M CA -0.345 55.227 55.300 0.453 0.000 1.103 184 M CB 1.166 34.083 32.600 0.527 0.000 1.577 184 M HN 0.040 nan 8.290 nan 0.000 0.459 185 R N 0.822 121.573 120.500 0.420 0.000 2.734 185 R HA 0.124 4.465 4.340 0.001 0.000 0.266 185 R C 1.161 177.628 176.300 0.279 0.000 1.044 185 R CA 0.143 56.460 56.100 0.362 0.000 1.128 185 R CB 0.378 30.824 30.300 0.243 0.000 1.010 185 R HN 0.945 nan 8.270 nan 0.000 0.461 186 A N 2.871 125.713 122.820 0.038 0.000 1.908 186 A HA -0.226 4.094 4.320 0.001 0.000 0.218 186 A C 1.776 179.170 177.584 -0.316 0.000 1.181 186 A CA 1.692 53.320 52.037 -0.682 0.000 0.627 186 A CB -0.310 18.216 19.000 -0.789 0.000 0.818 186 A HN 0.821 nan 8.150 nan 0.000 0.445 187 E N -1.561 118.588 120.200 -0.084 0.000 2.110 187 E HA -0.184 4.166 4.350 0.001 0.000 0.193 187 E C 1.804 178.446 176.600 0.070 0.000 0.988 187 E CA 1.535 57.922 56.400 -0.021 0.000 0.804 187 E CB -0.410 29.317 29.700 0.045 0.000 0.745 187 E HN 0.789 nan 8.360 nan 0.000 0.458 188 Y N -0.271 120.041 120.300 0.019 0.000 2.184 188 Y HA -0.229 4.321 4.550 0.001 0.000 0.290 188 Y C 2.141 178.093 175.900 0.088 0.000 1.129 188 Y CA 1.292 59.429 58.100 0.062 0.000 1.144 188 Y CB -0.704 37.819 38.460 0.104 0.000 0.995 188 Y HN 0.132 nan 8.280 nan 0.000 0.513 189 Y N 0.799 121.045 120.300 -0.091 0.000 2.151 189 Y HA -0.291 4.259 4.550 0.001 0.000 0.284 189 Y C 2.436 178.279 175.900 -0.094 0.000 1.166 189 Y CA 1.975 60.001 58.100 -0.124 0.000 1.163 189 Y CB -0.955 37.551 38.460 0.077 0.000 0.974 189 Y HN 0.173 nan 8.280 nan 0.000 0.511 190 A N 0.020 122.683 122.820 -0.261 0.000 1.940 190 A HA -0.202 4.118 4.320 0.001 0.000 0.219 190 A C 1.995 179.453 177.584 -0.210 0.000 1.176 190 A CA 1.985 53.860 52.037 -0.271 0.000 0.631 190 A CB -0.813 18.080 19.000 -0.180 0.000 0.814 190 A HN 0.560 nan 8.150 nan 0.000 0.446 191 D N 0.041 120.337 120.400 -0.173 0.000 2.097 191 D HA -0.103 4.537 4.640 0.001 0.000 0.195 191 D C 2.003 178.202 176.300 -0.169 0.000 0.989 191 D CA 1.060 54.980 54.000 -0.135 0.000 0.827 191 D CB -0.330 40.443 40.800 -0.045 0.000 0.966 191 D HN 0.450 nan 8.370 nan 0.000 0.456 192 L N -0.130 120.944 121.223 -0.249 0.000 2.046 192 L HA -0.205 4.135 4.340 0.001 0.000 0.208 192 L C 2.517 179.353 176.870 -0.058 0.000 1.077 192 L CA 0.999 55.772 54.840 -0.112 0.000 0.747 192 L CB -0.546 41.406 42.059 -0.178 0.000 0.896 192 L HN 0.071 nan 8.230 nan 0.000 0.432 193 Y N 1.227 121.252 120.300 -0.458 0.000 2.081 193 Y HA -0.321 4.230 4.550 0.001 0.000 0.280 193 Y C 2.781 178.591 175.900 -0.150 0.000 1.163 193 Y CA 1.692 59.566 58.100 -0.378 0.000 1.135 193 Y CB -0.255 37.814 38.460 -0.651 0.000 0.970 193 Y HN -0.026 nan 8.280 nan 0.000 0.498 194 R N -0.096 120.231 120.500 -0.289 0.000 2.091 194 R HA -0.239 4.101 4.340 0.001 0.000 0.238 194 R C 2.482 178.537 176.300 -0.409 0.000 1.136 194 R CA 1.896 57.723 56.100 -0.456 0.000 0.959 194 R CB -0.448 29.550 30.300 -0.504 0.000 0.856 194 R HN 0.551 nan 8.270 nan 0.000 0.437 195 Q N 0.080 119.745 119.800 -0.225 0.000 1.990 195 Q HA -0.157 4.183 4.340 0.001 0.000 0.200 195 Q C 1.802 177.779 176.000 -0.039 0.000 0.980 195 Q CA 1.523 57.257 55.803 -0.115 0.000 0.832 195 Q CB -0.106 28.593 28.738 -0.065 0.000 0.897 195 Q HN 0.228 nan 8.270 nan 0.000 0.427 196 F N 1.403 121.276 119.950 -0.129 0.000 2.065 196 F HA -0.304 4.223 4.527 0.001 0.000 0.298 196 F C 2.677 178.412 175.800 -0.108 0.000 1.112 196 F CA 1.875 59.846 58.000 -0.048 0.000 1.212 196 F CB -0.439 38.539 39.000 -0.037 0.000 0.975 196 F HN 0.342 nan 8.300 nan 0.000 0.476 197 Q N -0.148 119.560 119.800 -0.154 0.000 2.234 197 Q HA -0.160 4.180 4.340 0.001 0.000 0.206 197 Q C 1.575 177.458 176.000 -0.196 0.000 0.980 197 Q CA 2.228 57.885 55.803 -0.242 0.000 0.869 197 Q CB -1.699 26.703 28.738 -0.561 0.000 0.912 197 Q HN 0.265 nan 8.270 nan 0.000 0.436 198 T N -0.003 114.394 114.554 -0.261 0.000 2.699 198 T HA -0.176 4.174 4.350 0.001 0.000 0.268 198 T C 0.528 174.923 174.700 -0.508 0.000 1.036 198 T CA 1.777 63.626 62.100 -0.418 0.000 1.147 198 T CB -0.362 68.129 68.868 -0.630 0.000 0.862 198 T HN 0.496 nan 8.240 nan 0.000 0.446 199 Y N 0.507 120.729 120.300 -0.130 0.000 2.468 199 Y HA 0.391 4.942 4.550 0.001 0.000 0.268 199 Y C 0.473 176.302 175.900 -0.119 0.000 1.177 199 Y CA -0.346 57.686 58.100 -0.114 0.000 1.265 199 Y CB -0.248 38.149 38.460 -0.105 0.000 1.103 199 Y HN 0.111 nan 8.280 nan 0.000 0.522 200 L N 2.617 123.792 121.223 -0.079 0.000 2.282 200 L HA 0.341 4.681 4.340 0.001 0.000 0.287 200 L C -0.082 176.649 176.870 -0.232 0.000 1.075 200 L CA -0.442 54.287 54.840 -0.185 0.000 0.839 200 L CB 0.159 42.059 42.059 -0.265 0.000 1.219 200 L HN -0.012 nan 8.230 nan 0.000 0.434 201 R N 1.857 122.181 120.500 -0.293 0.000 2.536 201 R HA 0.325 4.665 4.340 0.001 0.000 0.279 201 R C -0.395 175.616 176.300 -0.482 0.000 1.001 201 R CA -0.915 54.901 56.100 -0.474 0.000 1.027 201 R CB 0.743 30.536 30.300 -0.845 0.000 1.096 201 R HN 0.368 nan 8.270 nan 0.000 0.502 202 N N 2.177 120.649 118.700 -0.379 0.000 2.415 202 N HA 0.127 4.867 4.740 0.001 0.000 0.246 202 N C -0.891 174.470 175.510 -0.248 0.000 1.078 202 N CA 0.096 53.013 53.050 -0.221 0.000 0.942 202 N CB 0.174 38.593 38.487 -0.112 0.000 1.140 202 N HN 0.302 nan 8.380 nan 0.000 0.501 203 Y N 0.690 121.025 120.300 0.058 0.000 2.334 203 Y HA 0.465 5.015 4.550 0.001 0.000 0.328 203 Y C 1.653 177.623 175.900 0.118 0.000 1.130 203 Y CA 0.152 58.334 58.100 0.136 0.000 1.163 203 Y CB 1.007 39.616 38.460 0.248 0.000 1.207 203 Y HN 0.714 nan 8.280 nan 0.000 0.471 204 G N 2.292 111.267 108.800 0.292 0.000 2.622 204 G HA2 -0.352 3.608 3.960 0.001 0.000 0.307 204 G HA3 -0.352 3.608 3.960 0.001 0.000 0.307 204 G C 0.515 175.474 174.900 0.099 0.000 1.226 204 G CA 0.695 45.889 45.100 0.157 0.000 0.997 204 G HN 0.648 nan 8.290 nan 0.000 0.551 205 D N 1.465 121.910 120.400 0.074 0.000 2.339 205 D HA 0.087 4.727 4.640 0.001 0.000 0.217 205 D C 0.996 177.328 176.300 0.054 0.000 1.050 205 D CA 0.119 54.150 54.000 0.052 0.000 0.856 205 D CB -0.146 40.677 40.800 0.038 0.000 0.922 205 D HN 0.294 nan 8.370 nan 0.000 0.518 206 N N 1.731 120.477 118.700 0.076 0.000 2.513 206 N HA -0.001 4.739 4.740 0.001 0.000 0.268 206 N C -0.618 174.917 175.510 0.041 0.000 1.180 206 N CA 0.225 53.318 53.050 0.071 0.000 0.948 206 N CB 0.461 39.016 38.487 0.114 0.000 1.083 206 N HN -0.289 nan 8.380 nan 0.000 0.455 207 K N 3.806 124.223 120.400 0.028 0.000 2.535 207 K HA 0.295 4.615 4.320 0.001 0.000 0.253 207 K C -0.640 175.976 176.600 0.026 0.000 0.953 207 K CA -0.484 55.816 56.287 0.021 0.000 0.863 207 K CB 1.317 33.836 32.500 0.031 0.000 1.111 207 K HN 0.515 nan 8.250 nan 0.000 0.431 208 L N 2.105 123.344 121.223 0.027 0.000 2.426 208 L HA 0.135 4.475 4.340 0.001 0.000 0.271 208 L C 0.225 177.173 176.870 0.130 0.000 1.169 208 L CA -0.247 54.632 54.840 0.064 0.000 0.836 208 L CB 0.139 42.210 42.059 0.021 0.000 1.112 208 L HN 0.581 nan 8.230 nan 0.000 0.465 209 H N 2.940 122.038 119.070 0.046 0.000 2.691 209 H HA 0.282 4.838 4.556 0.001 0.000 0.281 209 H C -0.823 174.633 175.328 0.214 0.000 1.121 209 H CA -0.605 55.502 56.048 0.098 0.000 1.254 209 H CB 0.481 30.197 29.762 -0.077 0.000 1.390 209 H HN 0.381 nan 8.280 nan 0.000 0.491 210 K N 5.006 125.517 120.400 0.186 0.000 2.249 210 K HA 0.348 4.668 4.320 0.001 0.000 0.280 210 K C -0.555 176.233 176.600 0.314 0.000 1.033 210 K CA -0.261 56.213 56.287 0.311 0.000 0.946 210 K CB 1.416 34.097 32.500 0.301 0.000 1.005 210 K HN 0.490 nan 8.250 nan 0.000 0.469 211 I N 2.409 123.206 120.570 0.379 0.000 2.418 211 I HA 0.280 4.450 4.170 0.001 0.000 0.287 211 I C -0.262 176.022 176.117 0.277 0.000 1.008 211 I CA -0.767 60.700 61.300 0.279 0.000 1.104 211 I CB 1.919 40.067 38.000 0.246 0.000 1.264 211 I HN 0.641 nan 8.210 nan 0.000 0.438 212 A N 4.841 127.694 122.820 0.055 0.000 2.316 212 A HA 0.322 4.643 4.320 0.001 0.000 0.284 212 A C 0.006 177.667 177.584 0.128 0.000 1.115 212 A CA -0.391 51.590 52.037 -0.094 0.000 0.812 212 A CB 0.819 19.425 19.000 -0.658 0.000 1.064 212 A HN 0.908 nan 8.150 nan 0.000 0.489 213 C N 3.106 122.544 119.300 0.229 0.000 2.638 213 C HA 0.506 4.966 4.460 0.001 0.000 0.410 213 C C 1.153 176.264 174.990 0.201 0.000 1.404 213 C CA 0.351 59.376 59.018 0.012 0.000 1.651 213 C CB -1.654 25.845 27.740 -0.401 0.000 2.495 213 C HN 0.984 nan 8.230 nan 0.000 0.606 214 G N 4.234 113.071 108.800 0.060 0.000 2.583 214 G HA2 0.676 4.636 3.960 0.001 0.000 0.280 214 G HA3 0.676 4.636 3.960 0.001 0.000 0.280 214 G C -0.187 174.573 174.900 -0.233 0.000 1.376 214 G CA 0.007 45.168 45.100 0.103 0.000 1.043 214 G HN 1.331 nan 8.290 nan 0.000 0.538 215 A N -0.426 122.217 122.820 -0.294 0.000 2.366 215 A HA 0.434 4.755 4.320 0.001 0.000 0.249 215 A C 0.402 177.590 177.584 -0.660 0.000 1.084 215 A CA -0.280 51.398 52.037 -0.599 0.000 0.794 215 A CB 0.186 19.020 19.000 -0.277 0.000 1.034 215 A HN 0.621 nan 8.150 nan 0.000 0.491 216 N N 0.985 119.000 118.700 -1.141 0.000 2.408 216 N HA 0.358 5.099 4.740 0.001 0.000 0.257 216 N C 0.754 175.993 175.510 -0.451 0.000 1.064 216 N CA 1.125 53.610 53.050 -0.942 0.000 0.952 216 N CB -0.326 37.086 38.487 -1.792 0.000 1.093 216 N HN 0.777 nan 8.380 nan 0.000 0.490 217 T N 2.651 117.117 114.554 -0.146 0.000 13.920 217 T HA -0.320 4.030 4.350 0.001 0.000 0.417 217 T C 0.790 175.417 174.700 -0.121 0.000 1.442 217 T CA 2.099 64.193 62.100 -0.010 0.000 2.330 217 T CB -1.423 67.517 68.868 0.120 0.000 2.759 217 T HN 0.748 nan 8.240 nan 0.000 0.364 218 A N 1.448 124.137 122.820 -0.219 0.000 2.476 218 A HA 0.367 4.687 4.320 0.001 0.000 0.263 218 A C 0.584 177.682 177.584 -0.810 0.000 1.342 218 A CA 0.352 52.011 52.037 -0.630 0.000 0.926 218 A CB -0.229 18.586 19.000 -0.308 0.000 1.019 218 A HN 0.594 nan 8.150 nan 0.000 0.515 219 D N -0.100 120.041 120.400 -0.431 0.000 2.600 219 D HA 0.119 4.759 4.640 0.001 0.000 0.226 219 D C 0.405 176.682 176.300 -0.038 0.000 1.119 219 D CA -0.220 53.641 54.000 -0.232 0.000 1.051 219 D CB -0.313 40.340 40.800 -0.245 0.000 1.106 219 D HN 0.444 nan 8.370 nan 0.000 0.491 220 Y N 0.321 120.673 120.300 0.087 0.000 2.333 220 Y HA -0.148 4.403 4.550 0.001 0.000 0.290 220 Y C 2.200 178.193 175.900 0.155 0.000 1.144 220 Y CA 1.086 59.200 58.100 0.025 0.000 1.228 220 Y CB -0.791 37.608 38.460 -0.103 0.000 0.985 220 Y HN 0.538 nan 8.280 nan 0.000 0.542 221 H N -0.960 118.236 119.070 0.210 0.000 2.421 221 H HA -0.224 4.333 4.556 0.001 0.000 0.298 221 H C 2.177 177.618 175.328 0.188 0.000 1.087 221 H CA 1.929 58.079 56.048 0.169 0.000 1.330 221 H CB -0.494 29.344 29.762 0.127 0.000 1.388 221 H HN 0.455 nan 8.280 nan 0.000 0.526 222 W N 1.145 122.442 121.300 -0.005 0.000 2.355 222 W HA -0.184 4.476 4.660 0.001 0.000 0.309 222 W C 1.605 178.101 176.519 -0.039 0.000 1.206 222 W CA 2.088 59.400 57.345 -0.055 0.000 1.284 222 W CB -0.611 28.826 29.460 -0.038 0.000 1.145 222 W HN 0.229 nan 8.180 nan 0.000 0.502 223 T N 0.629 115.380 114.554 0.329 0.000 2.720 223 T HA -0.294 4.056 4.350 0.001 0.000 0.268 223 T C 1.578 176.308 174.700 0.050 0.000 1.037 223 T CA 2.052 64.300 62.100 0.246 0.000 1.144 223 T CB -0.465 68.667 68.868 0.441 0.000 0.864 223 T HN 0.310 nan 8.240 nan 0.000 0.444 224 E N 0.313 120.532 120.200 0.031 0.000 2.038 224 E HA -0.147 4.203 4.350 0.001 0.000 0.195 224 E C 2.228 178.670 176.600 -0.264 0.000 1.000 224 E CA 1.295 57.666 56.400 -0.049 0.000 0.803 224 E CB -0.110 29.608 29.700 0.030 0.000 0.750 224 E HN 0.262 nan 8.360 nan 0.000 0.448 225 V N 1.360 121.062 119.914 -0.353 0.000 2.295 225 V HA -0.252 3.869 4.120 0.001 0.000 0.246 225 V C 2.468 178.350 176.094 -0.354 0.000 1.049 225 V CA 1.187 63.255 62.300 -0.386 0.000 1.024 225 V CB -0.441 31.088 31.823 -0.490 0.000 0.648 225 V HN 0.404 nan 8.190 nan 0.000 0.447 226 L N -0.947 120.056 121.223 -0.367 0.000 2.083 226 L HA -0.148 4.192 4.340 0.001 0.000 0.209 226 L C 2.468 179.207 176.870 -0.219 0.000 1.083 226 L CA 1.961 56.639 54.840 -0.269 0.000 0.752 226 L CB -0.931 41.012 42.059 -0.193 0.000 0.899 226 L HN 0.343 nan 8.230 nan 0.000 0.433 227 M N -0.555 118.887 119.600 -0.263 0.000 2.099 227 M HA -0.195 4.285 4.480 0.001 0.000 0.262 227 M C 2.188 178.166 176.300 -0.537 0.000 1.067 227 M CA 1.399 56.508 55.300 -0.319 0.000 1.124 227 M CB -0.939 31.494 32.600 -0.279 0.000 1.353 227 M HN 0.170 nan 8.290 nan 0.000 0.410 228 K N -0.223 119.710 120.400 -0.779 0.000 2.097 228 K HA -0.163 4.157 4.320 0.001 0.000 0.205 228 K C 1.874 178.326 176.600 -0.246 0.000 1.050 228 K CA 1.122 57.007 56.287 -0.670 0.000 0.938 228 K CB 0.259 32.449 32.500 -0.518 0.000 0.718 228 K HN 0.249 nan 8.250 nan 0.000 0.442 229 Q N -1.309 118.381 119.800 -0.183 0.000 2.376 229 Q HA 0.118 4.458 4.340 0.001 0.000 0.206 229 Q C 0.991 177.031 176.000 0.067 0.000 0.921 229 Q CA 0.985 56.756 55.803 -0.053 0.000 0.911 229 Q CB 1.301 29.993 28.738 -0.076 0.000 1.032 229 Q HN 0.367 nan 8.270 nan 0.000 0.510 230 A N -0.586 122.262 122.820 0.047 0.000 2.600 230 A HA 0.538 4.858 4.320 0.001 0.000 0.252 230 A C 1.768 179.448 177.584 0.160 0.000 1.200 230 A CA 0.631 52.810 52.037 0.237 0.000 0.981 230 A CB 0.122 19.212 19.000 0.150 0.000 1.207 230 A HN 0.150 nan 8.150 nan 0.000 0.577 231 A N 1.673 124.491 122.820 -0.004 0.000 1.917 231 A HA -0.063 4.257 4.320 0.001 0.000 0.219 231 A C -0.072 177.443 177.584 -0.114 0.000 1.182 231 A CA 2.236 54.245 52.037 -0.046 0.000 0.633 231 A CB -1.489 17.484 19.000 -0.046 0.000 0.819 231 A HN 0.405 nan 8.150 nan 0.000 0.448 232 P HA -0.048 nan 4.420 nan 0.000 0.226 232 P C 0.323 177.270 177.300 -0.589 0.000 1.153 232 P CA 0.757 63.541 63.100 -0.528 0.000 0.777 232 P CB -0.115 31.086 31.700 -0.833 0.000 0.794 233 F N -1.127 118.852 119.950 0.049 0.000 2.641 233 F HA 0.330 4.857 4.527 0.001 0.000 0.302 233 F C 1.203 177.139 175.800 0.226 0.000 1.098 233 F CA -0.263 57.800 58.000 0.105 0.000 1.318 233 F CB -0.460 38.617 39.000 0.129 0.000 1.035 233 F HN -0.100 nan 8.300 nan 0.000 0.551 234 M N -2.605 117.133 119.600 0.230 0.000 2.619 234 M HA 0.473 4.953 4.480 0.001 0.000 0.297 234 M C -0.376 175.958 176.300 0.057 0.000 1.229 234 M CA -0.560 54.865 55.300 0.209 0.000 0.860 234 M CB 2.194 34.847 32.600 0.089 0.000 1.741 234 M HN 0.047 nan 8.290 nan 0.000 0.462 235 H N -0.118 118.904 119.070 -0.081 0.000 2.740 235 H HA 0.536 5.092 4.556 0.001 0.000 0.265 235 H C 0.055 175.304 175.328 -0.132 0.000 0.978 235 H CA -0.010 55.880 56.048 -0.263 0.000 1.198 235 H CB 0.924 30.196 29.762 -0.818 0.000 1.467 235 H HN 0.911 nan 8.280 nan 0.000 0.511 236 G N 0.466 109.341 108.800 0.126 0.000 2.704 236 G HA2 0.446 4.406 3.960 0.001 0.000 0.293 236 G HA3 0.446 4.406 3.960 0.001 0.000 0.293 236 G C -2.369 172.584 174.900 0.089 0.000 1.421 236 G CA -0.661 44.523 45.100 0.141 0.000 0.870 236 G HN 0.110 nan 8.290 nan 0.000 0.492 237 L N 1.271 122.535 121.223 0.069 0.000 2.436 237 L HA 0.778 5.118 4.340 0.001 0.000 0.268 237 L C 0.404 177.298 176.870 0.039 0.000 0.974 237 L CA -0.490 54.381 54.840 0.052 0.000 0.826 237 L CB 2.080 44.168 42.059 0.047 0.000 1.291 237 L HN 0.849 nan 8.230 nan 0.000 0.406 238 S N 4.044 119.767 115.700 0.039 0.000 2.707 238 S HA 0.868 5.338 4.470 0.001 0.000 0.276 238 S C -0.747 173.820 174.600 -0.054 0.000 1.179 238 S CA -0.664 57.546 58.200 0.017 0.000 0.992 238 S CB 1.649 64.883 63.200 0.056 0.000 1.030 238 S HN 0.824 nan 8.310 nan 0.000 0.554 239 L N 0.307 121.514 121.223 -0.027 0.000 2.513 239 L HA 0.523 4.864 4.340 0.001 0.000 0.261 239 L C -1.650 175.320 176.870 0.167 0.000 0.945 239 L CA -0.228 54.556 54.840 -0.092 0.000 0.848 239 L CB 1.827 43.781 42.059 -0.175 0.000 1.334 239 L HN 0.986 nan 8.230 nan 0.000 0.407 240 H N 4.208 123.263 119.070 -0.026 0.000 2.489 240 H HA 0.541 5.097 4.556 0.001 0.000 0.343 240 H C -1.892 173.501 175.328 0.108 0.000 1.086 240 H CA -0.694 55.374 56.048 0.034 0.000 1.198 240 H CB 2.212 32.058 29.762 0.140 0.000 1.490 240 H HN 0.613 nan 8.280 nan 0.000 0.504 241 Y N 3.621 123.939 120.300 0.030 0.000 2.298 241 Y HA 0.209 4.760 4.550 0.001 0.000 0.322 241 Y C -2.038 173.888 175.900 0.044 0.000 1.138 241 Y CA -0.987 57.158 58.100 0.075 0.000 1.127 241 Y CB 0.358 38.872 38.460 0.091 0.000 1.178 241 Y HN 0.516 nan 8.280 nan 0.000 0.428 242 Y N 3.029 123.165 120.300 -0.273 0.000 2.334 242 Y HA 0.460 5.010 4.550 0.001 0.000 0.328 242 Y C 0.697 176.229 175.900 -0.613 0.000 1.130 242 Y CA -0.468 57.490 58.100 -0.236 0.000 1.163 242 Y CB 1.684 40.251 38.460 0.179 0.000 1.207 242 Y HN 0.495 nan 8.280 nan 0.000 0.471 243 T N 3.697 118.132 114.554 -0.197 0.000 2.727 243 T HA 0.416 4.766 4.350 0.001 0.000 0.298 243 T C -0.692 173.971 174.700 -0.061 0.000 0.942 243 T CA -0.435 61.575 62.100 -0.150 0.000 0.997 243 T CB -0.224 68.609 68.868 -0.059 0.000 0.917 243 T HN 0.314 nan 8.240 nan 0.000 0.487 244 V N 7.837 127.741 119.914 -0.016 0.000 2.357 244 V HA 0.229 4.350 4.120 0.001 0.000 0.281 244 V C -1.717 174.385 176.094 0.014 0.000 1.015 244 V CA -1.743 60.544 62.300 -0.022 0.000 0.827 244 V CB 1.495 33.318 31.823 -0.000 0.000 1.018 244 V HN 0.543 nan 8.190 nan 0.000 0.432 245 P HA -0.065 nan 4.420 nan 0.000 0.212 245 P C 0.978 178.299 177.300 0.035 0.000 1.178 245 P CA 1.451 64.576 63.100 0.042 0.000 0.915 245 P CB 0.258 31.993 31.700 0.058 0.000 0.788 246 G N -0.825 107.989 108.800 0.023 0.000 2.583 246 G HA2 0.450 4.410 3.960 0.001 0.000 0.280 246 G HA3 0.450 4.410 3.960 0.001 0.000 0.280 246 G C -2.532 172.377 174.900 0.016 0.000 1.376 246 G CA -1.307 43.804 45.100 0.019 0.000 1.043 246 G HN 0.009 nan 8.290 nan 0.000 0.538 247 P HA -0.065 nan 4.420 nan 0.000 0.272 247 P C 0.545 177.872 177.300 0.046 0.000 1.230 247 P CA -0.489 62.643 63.100 0.054 0.000 0.788 247 P CB 1.083 32.813 31.700 0.049 0.000 0.949 248 W N 1.748 122.996 121.300 -0.088 0.000 2.325 248 W HA -0.195 4.465 4.660 0.001 0.000 0.299 248 W C 0.998 177.455 176.519 -0.104 0.000 1.215 248 W CA 1.791 59.051 57.345 -0.141 0.000 1.244 248 W CB -0.183 29.182 29.460 -0.158 0.000 1.140 248 W HN 0.406 nan 8.180 nan 0.000 0.523 249 E N -0.326 119.913 120.200 0.064 0.000 2.274 249 E HA -0.090 4.261 4.350 0.001 0.000 0.194 249 E C 0.647 177.216 176.600 -0.052 0.000 0.996 249 E CA 0.984 57.394 56.400 0.017 0.000 0.840 249 E CB -0.076 29.659 29.700 0.059 0.000 0.772 249 E HN -0.024 nan 8.360 nan 0.000 0.491 250 K N 0.237 120.598 120.400 -0.065 0.000 2.896 250 K HA 0.181 4.502 4.320 0.001 0.000 0.228 250 K C -0.181 176.379 176.600 -0.065 0.000 1.151 250 K CA -0.083 56.169 56.287 -0.057 0.000 1.035 250 K CB 0.258 32.748 32.500 -0.016 0.000 1.263 250 K HN -0.182 nan 8.250 nan 0.000 0.574 251 K N 0.799 121.127 120.400 -0.120 0.000 2.288 251 K HA 0.054 4.374 4.320 0.001 0.000 0.201 251 K C 0.679 177.280 176.600 0.002 0.000 1.048 251 K CA 0.728 56.953 56.287 -0.104 0.000 0.956 251 K CB 0.137 32.513 32.500 -0.207 0.000 0.746 251 K HN 0.759 nan 8.250 nan 0.000 0.461 252 G N 1.890 110.694 108.800 0.007 0.000 2.619 252 G HA2 -0.126 3.835 3.960 0.001 0.000 0.686 252 G HA3 -0.126 3.835 3.960 0.001 0.000 0.686 252 G C -3.147 171.756 174.900 0.004 0.000 1.256 252 G CA -1.026 44.083 45.100 0.015 0.000 0.826 252 G HN -0.099 nan 8.290 nan 0.000 0.619 253 P HA 0.525 nan 4.420 nan 0.000 0.279 253 P C 0.777 177.864 177.300 -0.355 0.000 1.252 253 P CA 0.469 63.507 63.100 -0.104 0.000 0.811 253 P CB 1.660 33.334 31.700 -0.044 0.000 1.035 254 A N 1.680 124.251 122.820 -0.414 0.000 2.016 254 A HA 0.097 4.418 4.320 0.001 0.000 0.217 254 A C 1.102 178.559 177.584 -0.211 0.000 1.162 254 A CA 1.610 53.250 52.037 -0.661 0.000 0.662 254 A CB -0.947 17.869 19.000 -0.306 0.000 0.812 254 A HN 0.727 nan 8.150 nan 0.000 0.450 255 T N -6.695 107.786 114.554 -0.121 0.000 2.883 255 T HA 0.538 4.888 4.350 0.001 0.000 0.296 255 T C 0.625 175.225 174.700 -0.167 0.000 1.117 255 T CA 0.178 62.187 62.100 -0.152 0.000 1.006 255 T CB 1.269 69.921 68.868 -0.361 0.000 1.191 255 T HN 1.722 nan 8.240 nan 0.000 0.508 256 G N 1.065 109.657 108.800 -0.346 0.000 2.160 256 G HA2 -0.170 3.790 3.960 0.001 0.000 0.251 256 G HA3 -0.170 3.790 3.960 0.001 0.000 0.251 256 G C -0.129 174.638 174.900 -0.222 0.000 1.008 256 G CA 0.359 45.296 45.100 -0.272 0.000 0.724 256 G HN 1.288 nan 8.290 nan 0.000 0.514 257 F N 0.524 120.398 119.950 -0.127 0.000 2.368 257 F HA 0.829 5.356 4.527 0.001 0.000 0.315 257 F C 0.909 176.650 175.800 -0.098 0.000 1.145 257 F CA -0.798 57.135 58.000 -0.112 0.000 1.095 257 F CB -0.065 38.854 39.000 -0.134 0.000 1.286 257 F HN 0.293 nan 8.300 nan 0.000 0.530 258 T N -3.015 111.670 114.554 0.219 0.000 2.847 258 T HA 0.287 4.637 4.350 0.001 0.000 0.279 258 T C 1.191 175.981 174.700 0.151 0.000 0.984 258 T CA 0.056 62.219 62.100 0.106 0.000 0.988 258 T CB 1.056 69.983 68.868 0.098 0.000 1.040 258 T HN 0.898 nan 8.240 nan 0.000 0.528 259 T N -1.617 112.952 114.554 0.025 0.000 2.867 259 T HA -0.105 4.245 4.350 0.001 0.000 0.268 259 T C 1.317 176.097 174.700 0.132 0.000 1.057 259 T CA 1.177 63.243 62.100 -0.057 0.000 1.136 259 T CB -0.645 68.239 68.868 0.027 0.000 0.874 259 T HN 0.583 nan 8.240 nan 0.000 0.466 260 D N 1.576 122.129 120.400 0.256 0.000 2.178 260 D HA -0.054 4.587 4.640 0.001 0.000 0.201 260 D C 2.192 178.650 176.300 0.263 0.000 0.980 260 D CA 1.032 55.240 54.000 0.347 0.000 0.842 260 D CB -0.200 40.749 40.800 0.248 0.000 0.948 260 D HN 0.639 nan 8.370 nan 0.000 0.472 261 E N -0.339 119.968 120.200 0.177 0.000 2.152 261 E HA -0.118 4.232 4.350 0.001 0.000 0.192 261 E C 1.915 178.500 176.600 -0.025 0.000 0.983 261 E CA 0.127 56.570 56.400 0.072 0.000 0.818 261 E CB -0.052 29.672 29.700 0.041 0.000 0.758 261 E HN 0.406 nan 8.360 nan 0.000 0.467 262 W N 0.751 121.933 121.300 -0.196 0.000 2.333 262 W HA -0.234 4.427 4.660 0.001 0.000 0.316 262 W C 1.118 177.547 176.519 -0.149 0.000 1.215 262 W CA 1.446 58.607 57.345 -0.307 0.000 1.278 262 W CB -0.688 28.487 29.460 -0.475 0.000 1.154 262 W HN 0.166 nan 8.180 nan 0.000 0.486 263 W N 0.360 121.886 121.300 0.377 0.000 2.355 263 W HA -0.191 4.469 4.660 0.001 0.000 0.309 263 W C 2.494 179.062 176.519 0.081 0.000 1.206 263 W CA 1.122 58.620 57.345 0.256 0.000 1.284 263 W CB -1.063 28.567 29.460 0.285 0.000 1.145 263 W HN -0.372 nan 8.180 nan 0.000 0.502 264 V N 0.244 120.323 119.914 0.274 0.000 2.427 264 V HA -0.274 3.846 4.120 0.001 0.000 0.248 264 V C 2.065 178.200 176.094 0.068 0.000 1.051 264 V CA 2.275 64.666 62.300 0.152 0.000 1.048 264 V CB -1.287 30.607 31.823 0.118 0.000 0.666 264 V HN 0.209 nan 8.190 nan 0.000 0.456 265 T N 0.626 115.170 114.554 -0.017 0.000 2.708 265 T HA -0.110 4.241 4.350 0.001 0.000 0.266 265 T C 1.877 176.530 174.700 -0.079 0.000 1.037 265 T CA 1.537 63.589 62.100 -0.079 0.000 1.146 265 T CB -0.261 68.480 68.868 -0.211 0.000 0.865 265 T HN 0.302 nan 8.240 nan 0.000 0.435 266 L N 0.450 121.590 121.223 -0.137 0.000 2.056 266 L HA -0.037 4.304 4.340 0.001 0.000 0.207 266 L C 2.672 179.572 176.870 0.050 0.000 1.078 266 L CA 1.069 55.854 54.840 -0.091 0.000 0.749 266 L CB -0.527 41.444 42.059 -0.147 0.000 0.901 266 L HN 0.162 nan 8.230 nan 0.000 0.433 267 K N 1.088 121.553 120.400 0.107 0.000 2.032 267 K HA -0.183 4.137 4.320 0.001 0.000 0.209 267 K C 2.030 178.713 176.600 0.140 0.000 1.048 267 K CA 1.646 58.009 56.287 0.127 0.000 0.927 267 K CB -0.070 32.507 32.500 0.128 0.000 0.712 267 K HN 0.114 nan 8.250 nan 0.000 0.441 268 K N -0.546 119.935 120.400 0.135 0.000 2.097 268 K HA -0.013 4.308 4.320 0.001 0.000 0.205 268 K C 2.079 178.883 176.600 0.342 0.000 1.050 268 K CA 1.002 57.418 56.287 0.215 0.000 0.938 268 K CB -0.154 32.443 32.500 0.162 0.000 0.718 268 K HN 0.226 nan 8.250 nan 0.000 0.442 269 A N 1.524 124.467 122.820 0.204 0.000 1.902 269 A HA -0.125 4.196 4.320 0.001 0.000 0.217 269 A C 2.016 179.721 177.584 0.202 0.000 1.181 269 A CA 1.199 53.358 52.037 0.203 0.000 0.623 269 A CB -0.593 18.447 19.000 0.066 0.000 0.818 269 A HN 0.172 nan 8.150 nan 0.000 0.443 270 L N -1.700 119.614 121.223 0.152 0.000 2.362 270 L HA -0.104 4.237 4.340 0.001 0.000 0.219 270 L C 2.268 179.226 176.870 0.146 0.000 1.134 270 L CA 0.594 55.496 54.840 0.105 0.000 0.807 270 L CB -0.505 41.612 42.059 0.096 0.000 0.927 270 L HN 0.465 nan 8.230 nan 0.000 0.447 271 F N 0.988 120.963 119.950 0.043 0.000 2.307 271 F HA -0.278 4.250 4.527 0.001 0.000 0.301 271 F C 2.347 178.049 175.800 -0.164 0.000 1.076 271 F CA 1.320 59.289 58.000 -0.052 0.000 1.383 271 F CB -0.151 38.811 39.000 -0.063 0.000 1.055 271 F HN 0.081 nan 8.300 nan 0.000 0.526 272 M N 0.576 120.095 119.600 -0.134 0.000 2.195 272 M HA -0.230 4.250 4.480 0.001 0.000 0.260 272 M C 1.780 177.925 176.300 -0.259 0.000 1.066 272 M CA 2.144 57.306 55.300 -0.230 0.000 1.089 272 M CB -0.812 31.743 32.600 -0.074 0.000 1.377 272 M HN 0.183 nan 8.290 nan 0.000 0.411 273 D N -0.529 119.770 120.400 -0.168 0.000 2.084 273 D HA -0.217 4.423 4.640 0.001 0.000 0.194 273 D C 2.148 178.348 176.300 -0.166 0.000 0.990 273 D CA 1.742 55.684 54.000 -0.096 0.000 0.826 273 D CB -0.233 40.575 40.800 0.015 0.000 0.971 273 D HN 0.454 nan 8.370 nan 0.000 0.453 274 R N -0.217 120.151 120.500 -0.219 0.000 2.083 274 R HA -0.115 4.226 4.340 0.001 0.000 0.237 274 R C 2.488 178.584 176.300 -0.340 0.000 1.137 274 R CA 1.156 57.106 56.100 -0.251 0.000 0.951 274 R CB -0.370 29.797 30.300 -0.222 0.000 0.851 274 R HN 0.269 nan 8.270 nan 0.000 0.434 275 L N 0.077 120.966 121.223 -0.557 0.000 1.994 275 L HA -0.188 4.153 4.340 0.001 0.000 0.208 275 L C 2.508 179.336 176.870 -0.070 0.000 1.071 275 L CA 1.220 55.866 54.840 -0.324 0.000 0.745 275 L CB -0.477 41.294 42.059 -0.480 0.000 0.892 275 L HN 0.095 nan 8.230 nan 0.000 0.431 276 V N -0.576 119.220 119.914 -0.196 0.000 2.407 276 V HA -0.284 3.836 4.120 0.001 0.000 0.248 276 V C 2.550 178.485 176.094 -0.265 0.000 1.055 276 V CA 2.297 64.462 62.300 -0.225 0.000 1.049 276 V CB -0.731 30.842 31.823 -0.416 0.000 0.662 276 V HN 0.504 nan 8.190 nan 0.000 0.455 277 T N -0.414 113.963 114.554 -0.295 0.000 2.708 277 T HA -0.197 4.153 4.350 0.001 0.000 0.266 277 T C 1.950 176.586 174.700 -0.107 0.000 1.037 277 T CA 1.539 63.554 62.100 -0.141 0.000 1.146 277 T CB -0.178 68.666 68.868 -0.039 0.000 0.865 277 T HN 0.470 nan 8.240 nan 0.000 0.435 278 K N -0.061 120.242 120.400 -0.163 0.000 2.062 278 K HA -0.039 4.281 4.320 0.001 0.000 0.205 278 K C 2.353 178.808 176.600 -0.241 0.000 1.051 278 K CA 0.894 56.997 56.287 -0.307 0.000 0.941 278 K CB -0.160 31.968 32.500 -0.619 0.000 0.719 278 K HN 0.438 nan 8.250 nan 0.000 0.440 279 H N 0.299 119.384 119.070 0.023 0.000 2.353 279 H HA -0.007 4.549 4.556 0.001 0.000 0.300 279 H C 2.247 177.594 175.328 0.032 0.000 1.090 279 H CA 1.247 57.350 56.048 0.093 0.000 1.327 279 H CB 0.085 29.904 29.762 0.094 0.000 1.383 279 H HN 0.092 nan 8.280 nan 0.000 0.508 280 S N 0.540 116.300 115.700 0.100 0.000 2.382 280 S HA -0.124 4.346 4.470 0.001 0.000 0.228 280 S C 2.434 177.062 174.600 0.045 0.000 1.027 280 S CA 0.831 59.069 58.200 0.063 0.000 0.991 280 S CB -0.195 63.027 63.200 0.038 0.000 0.823 280 S HN 0.527 nan 8.310 nan 0.000 0.469 281 A N 1.250 124.072 122.820 0.002 0.000 1.933 281 A HA -0.027 4.294 4.320 0.001 0.000 0.218 281 A C 2.043 179.625 177.584 -0.003 0.000 1.175 281 A CA 1.122 53.146 52.037 -0.022 0.000 0.628 281 A CB -0.607 18.348 19.000 -0.075 0.000 0.814 281 A HN 0.492 nan 8.150 nan 0.000 0.444 282 I N -0.853 119.732 120.570 0.025 0.000 2.252 282 I HA -0.267 3.903 4.170 0.001 0.000 0.245 282 I C 2.649 178.873 176.117 0.179 0.000 1.102 282 I CA 1.329 62.689 61.300 0.100 0.000 1.385 282 I CB -0.270 37.814 38.000 0.141 0.000 1.064 282 I HN 0.319 nan 8.210 nan 0.000 0.414 283 M N 0.055 119.748 119.600 0.156 0.000 2.159 283 M HA -0.228 4.252 4.480 0.001 0.000 0.263 283 M C 1.645 178.016 176.300 0.119 0.000 1.063 283 M CA 1.559 56.955 55.300 0.160 0.000 1.110 283 M CB -0.516 32.155 32.600 0.119 0.000 1.374 283 M HN 0.165 nan 8.290 nan 0.000 0.411 284 D N 0.071 120.509 120.400 0.063 0.000 2.144 284 D HA -0.116 4.525 4.640 0.001 0.000 0.199 284 D C 2.083 178.368 176.300 -0.024 0.000 0.984 284 D CA 1.177 55.190 54.000 0.022 0.000 0.834 284 D CB -0.263 40.539 40.800 0.005 0.000 0.955 284 D HN 0.175 nan 8.370 nan 0.000 0.465 285 V N 0.096 119.963 119.914 -0.078 0.000 2.343 285 V HA -0.239 3.881 4.120 0.001 0.000 0.247 285 V C 1.775 177.662 176.094 -0.345 0.000 1.051 285 V CA 1.462 63.606 62.300 -0.261 0.000 1.036 285 V CB -0.584 30.986 31.823 -0.421 0.000 0.654 285 V HN 0.220 nan 8.190 nan 0.000 0.451 286 Y N -0.939 119.359 120.300 -0.003 0.000 2.510 286 Y HA 0.246 4.797 4.550 0.001 0.000 0.273 286 Y C 0.994 176.886 175.900 -0.013 0.000 1.119 286 Y CA 0.415 58.510 58.100 -0.009 0.000 1.286 286 Y CB 0.376 38.832 38.460 -0.007 0.000 1.061 286 Y HN 0.281 nan 8.280 nan 0.000 0.542 287 D N -0.307 120.160 120.400 0.112 0.000 2.735 287 D HA 0.172 4.812 4.640 0.001 0.000 0.291 287 D C -2.242 174.081 176.300 0.038 0.000 1.205 287 D CA -2.039 52.001 54.000 0.067 0.000 0.777 287 D CB 0.791 41.637 40.800 0.077 0.000 1.234 287 D HN -0.096 nan 8.370 nan 0.000 0.520 288 P HA -0.064 nan 4.420 nan 0.000 0.218 288 P C 0.527 177.834 177.300 0.012 0.000 1.149 288 P CA 0.751 63.854 63.100 0.004 0.000 0.817 288 P CB 0.496 32.188 31.700 -0.012 0.000 0.785 289 D N 0.285 120.693 120.400 0.013 0.000 2.363 289 D HA -0.028 4.612 4.640 0.001 0.000 0.226 289 D C 0.528 176.846 176.300 0.031 0.000 1.020 289 D CA 0.359 54.369 54.000 0.017 0.000 0.892 289 D CB -0.379 40.427 40.800 0.010 0.000 0.900 289 D HN 0.207 nan 8.370 nan 0.000 0.531 290 K N -0.235 120.188 120.400 0.039 0.000 3.071 290 K HA -0.271 4.049 4.320 0.001 0.000 0.265 290 K C 1.153 177.795 176.600 0.070 0.000 1.060 290 K CA 0.354 56.674 56.287 0.055 0.000 0.767 290 K CB -1.205 31.327 32.500 0.054 0.000 1.241 290 K HN 0.175 nan 8.250 nan 0.000 0.486 291 R N 1.073 121.608 120.500 0.059 0.000 2.081 291 R HA -0.014 4.326 4.340 0.001 0.000 0.235 291 R C 0.728 177.113 176.300 0.141 0.000 1.131 291 R CA 1.083 57.227 56.100 0.072 0.000 0.960 291 R CB 0.123 30.422 30.300 -0.002 0.000 0.856 291 R HN 0.322 nan 8.270 nan 0.000 0.436 292 I N 2.922 123.558 120.570 0.111 0.000 2.337 292 I HA 0.021 4.192 4.170 0.001 0.000 0.291 292 I C -0.564 175.640 176.117 0.146 0.000 1.046 292 I CA -0.601 60.786 61.300 0.145 0.000 1.324 292 I CB 1.104 39.152 38.000 0.081 0.000 1.409 292 I HN 0.110 nan 8.210 nan 0.000 0.494 293 D N 6.205 126.718 120.400 0.188 0.000 2.414 293 D HA 0.128 4.769 4.640 0.001 0.000 0.242 293 D C -0.243 176.099 176.300 0.070 0.000 1.129 293 D CA -0.199 53.873 54.000 0.120 0.000 0.885 293 D CB 1.070 41.946 40.800 0.127 0.000 1.198 293 D HN 0.140 nan 8.370 nan 0.000 0.437 294 L N 2.745 123.984 121.223 0.028 0.000 2.276 294 L HA 0.373 4.714 4.340 0.001 0.000 0.286 294 L C -0.717 176.115 176.870 -0.063 0.000 1.061 294 L CA -0.110 54.725 54.840 -0.008 0.000 0.807 294 L CB 0.457 42.507 42.059 -0.015 0.000 1.177 294 L HN 0.312 nan 8.230 nan 0.000 0.429 295 I N 6.286 126.822 120.570 -0.058 0.000 2.390 295 I HA 0.218 4.389 4.170 0.001 0.000 0.283 295 I C -0.494 175.577 176.117 -0.077 0.000 1.016 295 I CA -0.735 60.511 61.300 -0.090 0.000 1.151 295 I CB 1.645 39.617 38.000 -0.047 0.000 1.293 295 I HN 0.245 nan 8.210 nan 0.000 0.458 296 V N 5.676 125.481 119.914 -0.181 0.000 2.153 296 V HA 0.021 4.141 4.120 0.001 0.000 0.250 296 V C 0.769 176.868 176.094 0.007 0.000 1.334 296 V CA -0.241 61.989 62.300 -0.116 0.000 1.249 296 V CB -0.340 31.295 31.823 -0.313 0.000 1.371 296 V HN 0.762 nan 8.190 nan 0.000 0.498 297 D N 1.331 121.767 120.400 0.060 0.000 2.328 297 D HA 0.015 4.656 4.640 0.001 0.000 0.226 297 D C 0.338 176.473 176.300 -0.275 0.000 1.066 297 D CA 0.074 54.064 54.000 -0.017 0.000 0.861 297 D CB 0.395 41.238 40.800 0.071 0.000 0.912 297 D HN 0.603 nan 8.370 nan 0.000 0.521 298 E N 0.427 120.442 120.200 -0.310 0.000 2.274 298 E HA 0.383 4.733 4.350 0.001 0.000 0.269 298 E C -0.954 175.471 176.600 -0.293 0.000 0.891 298 E CA -0.911 55.197 56.400 -0.487 0.000 0.784 298 E CB 1.916 31.043 29.700 -0.955 0.000 1.225 298 E HN 0.295 nan 8.360 nan 0.000 0.412 299 W N 1.727 122.790 121.300 -0.395 0.000 3.005 299 W HA 0.747 5.407 4.660 0.001 0.000 0.343 299 W C -0.486 175.934 176.519 -0.164 0.000 1.243 299 W CA -0.475 56.675 57.345 -0.324 0.000 1.186 299 W CB 0.574 30.027 29.460 -0.012 0.000 1.453 299 W HN 0.810 nan 8.180 nan 0.000 0.575 300 G N 0.882 109.735 108.800 0.087 0.000 2.371 300 G HA2 0.340 4.301 3.960 0.001 0.000 0.663 300 G HA3 0.340 4.301 3.960 0.001 0.000 0.663 300 G C -0.603 174.313 174.900 0.028 0.000 1.311 300 G CA -0.334 44.713 45.100 -0.088 0.000 0.985 300 G HN 1.251 nan 8.290 nan 0.000 0.566 301 T N -1.843 112.633 114.554 -0.131 0.000 2.913 301 T HA 0.525 4.875 4.350 0.001 0.000 0.297 301 T C -0.491 173.986 174.700 -0.373 0.000 1.029 301 T CA -0.105 61.804 62.100 -0.317 0.000 1.104 301 T CB 1.791 70.312 68.868 -0.579 0.000 0.964 301 T HN 1.329 nan 8.240 nan 0.000 0.532 302 W N 4.230 125.148 121.300 -0.636 0.000 2.587 302 W HA 0.509 5.169 4.660 0.001 0.000 0.324 302 W C -2.333 173.822 176.519 -0.605 0.000 1.008 302 W CA -2.127 54.873 57.345 -0.575 0.000 1.265 302 W CB 0.767 29.951 29.460 -0.460 0.000 1.328 302 W HN 0.762 nan 8.180 nan 0.000 0.432 303 Y N 2.361 122.751 120.300 0.151 0.000 2.631 303 Y HA 0.360 4.910 4.550 0.001 0.000 0.328 303 Y C 0.969 176.889 175.900 0.034 0.000 1.118 303 Y CA -0.952 57.158 58.100 0.017 0.000 1.206 303 Y CB 0.535 38.967 38.460 -0.047 0.000 1.337 303 Y HN 0.139 nan 8.280 nan 0.000 0.515 304 D N 0.959 121.442 120.400 0.138 0.000 2.423 304 D HA 0.167 4.808 4.640 0.001 0.000 0.238 304 D C 0.070 176.423 176.300 0.089 0.000 1.142 304 D CA 0.097 54.132 54.000 0.058 0.000 0.884 304 D CB 0.967 41.774 40.800 0.013 0.000 1.199 304 D HN 0.411 nan 8.370 nan 0.000 0.438 305 V N -0.373 119.587 119.914 0.076 0.000 3.096 305 V HA 0.051 4.171 4.120 0.001 0.000 0.306 305 V C 0.638 176.779 176.094 0.078 0.000 1.088 305 V CA -0.707 61.642 62.300 0.082 0.000 1.129 305 V CB 0.485 32.367 31.823 0.098 0.000 1.014 305 V HN 0.289 nan 8.190 nan 0.000 0.486 306 E N 2.777 123.046 120.200 0.114 0.000 2.502 306 E HA 0.135 4.486 4.350 0.001 0.000 0.261 306 E C -2.306 174.340 176.600 0.076 0.000 0.974 306 E CA -1.560 54.904 56.400 0.106 0.000 0.936 306 E CB -0.237 29.586 29.700 0.205 0.000 0.926 306 E HN 0.659 nan 8.360 nan 0.000 0.459 307 P HA 0.001 nan 4.420 nan 0.000 0.264 307 P C 0.810 178.123 177.300 0.023 0.000 1.193 307 P CA 1.088 64.203 63.100 0.025 0.000 0.763 307 P CB 0.469 32.177 31.700 0.014 0.000 0.810 308 G N 1.684 110.490 108.800 0.011 0.000 2.225 308 G HA2 -0.238 3.722 3.960 0.001 0.000 0.254 308 G HA3 -0.238 3.722 3.960 0.001 0.000 0.254 308 G C 0.432 175.326 174.900 -0.010 0.000 0.988 308 G CA 0.399 45.498 45.100 -0.001 0.000 0.625 308 G HN 0.811 nan 8.290 nan 0.000 0.527 309 T N -0.995 113.563 114.554 0.007 0.000 2.849 309 T HA 0.520 4.870 4.350 0.001 0.000 0.284 309 T C 0.336 175.008 174.700 -0.046 0.000 1.004 309 T CA 0.003 62.100 62.100 -0.006 0.000 1.021 309 T CB 1.520 70.419 68.868 0.052 0.000 1.013 309 T HN 0.314 nan 8.240 nan 0.000 0.527 310 N N 2.629 121.245 118.700 -0.139 0.000 2.438 310 N HA 0.099 4.840 4.740 0.001 0.000 0.267 310 N C -1.226 174.198 175.510 -0.143 0.000 1.222 310 N CA -1.953 50.924 53.050 -0.289 0.000 0.930 310 N CB 1.020 39.002 38.487 -0.841 0.000 1.083 310 N HN 0.435 nan 8.380 nan 0.000 0.476 311 P HA -0.078 nan 4.420 nan 0.000 0.221 311 P C 1.010 178.405 177.300 0.158 0.000 1.145 311 P CA 0.888 64.025 63.100 0.062 0.000 0.795 311 P CB 0.067 31.804 31.700 0.063 0.000 0.775 312 G N -1.574 107.297 108.800 0.117 0.000 2.744 312 G HA2 -0.137 3.824 3.960 0.001 0.000 0.211 312 G HA3 -0.137 3.824 3.960 0.001 0.000 0.211 312 G C 0.854 176.083 174.900 0.550 0.000 1.143 312 G CA 0.034 45.354 45.100 0.366 0.000 0.788 312 G HN 0.135 nan 8.290 nan 0.000 0.534 313 F N -0.317 119.697 119.950 0.107 0.000 2.721 313 F HA 0.392 4.919 4.527 0.001 0.000 0.301 313 F C 1.568 177.302 175.800 -0.110 0.000 1.096 313 F CA -1.271 56.720 58.000 -0.015 0.000 1.308 313 F CB -0.254 38.747 39.000 0.001 0.000 1.086 313 F HN -0.060 nan 8.300 nan 0.000 0.587 314 L N -0.702 120.577 121.223 0.094 0.000 4.001 314 L HA -0.321 4.020 4.340 0.001 0.000 0.413 314 L C -0.368 176.445 176.870 -0.096 0.000 1.185 314 L CA 0.225 54.998 54.840 -0.113 0.000 0.963 314 L CB -2.332 39.458 42.059 -0.448 0.000 1.976 314 L HN 0.167 nan 8.230 nan 0.000 0.939 315 Y N 3.266 123.531 120.300 -0.059 0.000 2.531 315 Y HA 0.364 4.914 4.550 0.001 0.000 0.347 315 Y C 0.830 176.706 175.900 -0.039 0.000 1.024 315 Y CA 0.138 58.205 58.100 -0.054 0.000 1.306 315 Y CB 0.502 38.968 38.460 0.011 0.000 1.149 315 Y HN 0.309 nan 8.280 nan 0.000 0.527 316 Q N 3.853 123.348 119.800 -0.509 0.000 2.451 316 Q HA 0.447 4.787 4.340 0.001 0.000 0.281 316 Q C -1.272 174.447 176.000 -0.469 0.000 1.099 316 Q CA -1.376 54.233 55.803 -0.324 0.000 0.806 316 Q CB 2.071 30.764 28.738 -0.076 0.000 1.419 316 Q HN 0.595 nan 8.270 nan 0.000 0.427 317 Q N 1.163 120.797 119.800 -0.276 0.000 2.308 317 Q HA 0.371 4.711 4.340 0.001 0.000 0.207 317 Q C -1.206 174.709 176.000 -0.142 0.000 1.035 317 Q CA -0.172 55.482 55.803 -0.247 0.000 1.008 317 Q CB 0.935 29.525 28.738 -0.246 0.000 1.168 317 Q HN 0.741 nan 8.270 nan 0.000 0.565 318 N N 0.230 118.872 118.700 -0.097 0.000 2.519 318 N HA 0.314 5.054 4.740 0.001 0.000 0.291 318 N C -1.785 173.758 175.510 0.055 0.000 1.107 318 N CA -0.018 53.023 53.050 -0.015 0.000 0.904 318 N CB 1.250 39.703 38.487 -0.056 0.000 1.500 318 N HN 0.692 nan 8.380 nan 0.000 0.510 319 S N 2.440 118.199 115.700 0.098 0.000 2.806 319 S HA 0.424 4.895 4.470 0.001 0.000 0.315 319 S C 1.231 175.934 174.600 0.172 0.000 1.127 319 S CA -0.620 57.680 58.200 0.168 0.000 0.918 319 S CB 0.991 64.327 63.200 0.227 0.000 1.240 319 S HN 0.322 nan 8.310 nan 0.000 0.552 320 I N 1.212 121.912 120.570 0.217 0.000 2.423 320 I HA -0.041 4.130 4.170 0.001 0.000 0.254 320 I C 2.592 178.845 176.117 0.227 0.000 1.151 320 I CA 1.264 62.701 61.300 0.229 0.000 1.421 320 I CB -0.567 37.589 38.000 0.259 0.000 1.079 320 I HN 0.829 nan 8.210 nan 0.000 0.431 321 R N 0.294 120.940 120.500 0.243 0.000 2.081 321 R HA -0.180 4.160 4.340 0.001 0.000 0.235 321 R C 1.844 178.075 176.300 -0.116 0.000 1.131 321 R CA 1.984 58.025 56.100 -0.098 0.000 0.960 321 R CB -0.343 29.874 30.300 -0.138 0.000 0.856 321 R HN 0.404 nan 8.270 nan 0.000 0.436 322 D N 0.134 120.542 120.400 0.014 0.000 2.144 322 D HA -0.117 4.523 4.640 0.001 0.000 0.200 322 D C 1.732 178.039 176.300 0.013 0.000 0.978 322 D CA 1.304 55.318 54.000 0.024 0.000 0.833 322 D CB -0.076 40.763 40.800 0.064 0.000 0.961 322 D HN 0.399 nan 8.370 nan 0.000 0.470 323 A N 1.022 123.863 122.820 0.034 0.000 1.933 323 A HA -0.133 4.187 4.320 0.001 0.000 0.218 323 A C 2.371 179.929 177.584 -0.043 0.000 1.175 323 A CA 0.892 52.939 52.037 0.016 0.000 0.628 323 A CB -0.727 18.311 19.000 0.063 0.000 0.814 323 A HN 0.172 nan 8.150 nan 0.000 0.444 324 L N -0.771 120.428 121.223 -0.042 0.000 2.109 324 L HA -0.123 4.218 4.340 0.001 0.000 0.207 324 L C 2.526 179.331 176.870 -0.108 0.000 1.086 324 L CA 0.761 55.557 54.840 -0.074 0.000 0.760 324 L CB -0.347 41.657 42.059 -0.091 0.000 0.910 324 L HN 0.246 nan 8.230 nan 0.000 0.437 325 V N 0.028 119.882 119.914 -0.100 0.000 2.287 325 V HA -0.337 3.784 4.120 0.001 0.000 0.248 325 V C 2.711 178.818 176.094 0.022 0.000 1.053 325 V CA 1.927 64.201 62.300 -0.043 0.000 1.027 325 V CB -0.877 30.940 31.823 -0.010 0.000 0.646 325 V HN 0.503 nan 8.190 nan 0.000 0.447 326 A N 0.390 123.239 122.820 0.049 0.000 1.858 326 A HA -0.088 4.233 4.320 0.001 0.000 0.216 326 A C 2.454 179.910 177.584 -0.213 0.000 1.190 326 A CA 2.006 54.106 52.037 0.105 0.000 0.617 326 A CB -1.392 17.659 19.000 0.086 0.000 0.827 326 A HN 0.519 nan 8.150 nan 0.000 0.443 327 G N -0.494 108.095 108.800 -0.352 0.000 2.446 327 G HA2 -0.048 3.913 3.960 0.001 0.000 0.217 327 G HA3 -0.048 3.913 3.960 0.001 0.000 0.217 327 G C 1.763 176.393 174.900 -0.449 0.000 1.168 327 G CA 1.705 46.501 45.100 -0.506 0.000 0.771 327 G HN 0.866 nan 8.290 nan 0.000 0.551 328 A N -0.089 122.551 122.820 -0.301 0.000 1.933 328 A HA 0.029 4.349 4.320 0.001 0.000 0.218 328 A C 2.523 179.923 177.584 -0.306 0.000 1.175 328 A CA 2.401 54.300 52.037 -0.230 0.000 0.628 328 A CB -0.726 18.206 19.000 -0.112 0.000 0.814 328 A HN 0.314 nan 8.150 nan 0.000 0.444 329 T N 0.253 114.553 114.554 -0.424 0.000 2.812 329 T HA 0.004 4.355 4.350 0.001 0.000 0.264 329 T C 1.796 175.810 174.700 -1.142 0.000 1.042 329 T CA 1.238 62.860 62.100 -0.797 0.000 1.140 329 T CB -0.324 67.992 68.868 -0.920 0.000 0.870 329 T HN 0.347 nan 8.240 nan 0.000 0.445 330 L N 0.183 120.924 121.223 -0.804 0.000 2.083 330 L HA -0.134 4.206 4.340 0.001 0.000 0.209 330 L C 2.512 178.973 176.870 -0.683 0.000 1.083 330 L CA 1.504 55.943 54.840 -0.668 0.000 0.752 330 L CB -0.644 41.178 42.059 -0.396 0.000 0.899 330 L HN 0.468 nan 8.230 nan 0.000 0.433 331 H N -0.577 118.146 119.070 -0.579 0.000 2.387 331 H HA -0.155 4.402 4.556 0.001 0.000 0.299 331 H C 2.409 177.537 175.328 -0.335 0.000 1.090 331 H CA 1.193 56.951 56.048 -0.483 0.000 1.332 331 H CB 0.125 29.758 29.762 -0.215 0.000 1.386 331 H HN 0.300 nan 8.280 nan 0.000 0.516 332 I N 0.340 120.763 120.570 -0.246 0.000 2.179 332 I HA -0.278 3.892 4.170 0.001 0.000 0.242 332 I C 1.747 177.858 176.117 -0.010 0.000 1.088 332 I CA 0.930 62.131 61.300 -0.164 0.000 1.357 332 I CB -0.208 37.621 38.000 -0.285 0.000 1.051 332 I HN 0.148 nan 8.210 nan 0.000 0.409 333 F N 0.766 120.628 119.950 -0.147 0.000 2.095 333 F HA -0.227 4.300 4.527 0.001 0.000 0.298 333 F C 2.577 178.407 175.800 0.050 0.000 1.104 333 F CA 1.358 59.301 58.000 -0.094 0.000 1.232 333 F CB -1.711 37.151 39.000 -0.228 0.000 0.987 333 F HN 0.191 nan 8.300 nan 0.000 0.475 334 H N -0.344 118.780 119.070 0.089 0.000 2.319 334 H HA -0.152 4.404 4.556 0.001 0.000 0.297 334 H C 2.365 177.674 175.328 -0.031 0.000 1.097 334 H CA 1.243 57.294 56.048 0.005 0.000 1.285 334 H CB -0.189 29.517 29.762 -0.094 0.000 1.368 334 H HN 0.175 nan 8.280 nan 0.000 0.495 335 R N 0.168 120.703 120.500 0.058 0.000 2.152 335 R HA -0.084 4.256 4.340 0.001 0.000 0.232 335 R C 0.690 176.833 176.300 -0.262 0.000 1.117 335 R CA 0.864 56.883 56.100 -0.135 0.000 0.981 335 R CB 0.037 30.197 30.300 -0.234 0.000 0.870 335 R HN 0.563 nan 8.270 nan 0.000 0.451 336 H N -0.682 118.424 119.070 0.059 0.000 2.488 336 H HA 0.082 4.638 4.556 0.001 0.000 0.294 336 H C 1.428 176.786 175.328 0.050 0.000 1.088 336 H CA -0.139 55.939 56.048 0.050 0.000 1.086 336 H CB 0.222 30.017 29.762 0.055 0.000 1.569 336 H HN 0.341 nan 8.280 nan 0.000 0.548 337 C N 0.090 119.458 119.300 0.114 0.000 2.511 337 C HA -0.026 4.434 4.460 0.001 0.000 0.277 337 C C 1.942 176.968 174.990 0.059 0.000 1.451 337 C CA 0.148 59.218 59.018 0.086 0.000 1.735 337 C CB -0.611 27.169 27.740 0.066 0.000 1.704 337 C HN 0.494 nan 8.230 nan 0.000 0.571 338 D N 1.127 121.563 120.400 0.060 0.000 2.317 338 D HA -0.148 4.492 4.640 0.001 0.000 0.211 338 D C 2.051 178.388 176.300 0.062 0.000 0.966 338 D CA 1.064 55.094 54.000 0.051 0.000 0.876 338 D CB -0.297 40.528 40.800 0.043 0.000 0.927 338 D HN 0.579 nan 8.370 nan 0.000 0.519 339 R N 0.305 120.851 120.500 0.077 0.000 2.428 339 R HA 0.188 4.528 4.340 0.001 0.000 0.193 339 R C -0.116 176.208 176.300 0.041 0.000 0.852 339 R CA 0.165 56.305 56.100 0.067 0.000 1.055 339 R CB 0.115 30.462 30.300 0.078 0.000 1.343 339 R HN -0.084 nan 8.270 nan 0.000 0.655 340 V N 3.628 123.564 119.914 0.036 0.000 2.439 340 V HA 0.254 4.374 4.120 0.001 0.000 0.271 340 V C 0.601 176.665 176.094 -0.051 0.000 1.040 340 V CA 0.252 62.529 62.300 -0.040 0.000 1.002 340 V CB 1.144 32.929 31.823 -0.064 0.000 1.000 340 V HN 0.340 nan 8.190 nan 0.000 0.477 341 R N 3.807 124.256 120.500 -0.085 0.000 2.509 341 R HA 0.483 4.823 4.340 0.001 0.000 0.297 341 R C -0.001 176.214 176.300 -0.141 0.000 0.951 341 R CA -0.082 55.972 56.100 -0.077 0.000 1.103 341 R CB 0.863 31.136 30.300 -0.046 0.000 1.283 341 R HN 0.679 nan 8.270 nan 0.000 0.534 342 M N 0.311 119.788 119.600 -0.206 0.000 2.426 342 M HA 0.568 5.049 4.480 0.001 0.000 0.289 342 M C -2.234 173.887 176.300 -0.298 0.000 1.168 342 M CA -0.564 54.593 55.300 -0.238 0.000 0.933 342 M CB 2.387 34.800 32.600 -0.311 0.000 1.750 342 M HN 0.018 nan 8.290 nan 0.000 0.494 343 A N 3.070 125.741 122.820 -0.248 0.000 2.587 343 A HA 0.877 5.197 4.320 0.001 0.000 0.293 343 A C -1.957 175.683 177.584 0.092 0.000 1.087 343 A CA -0.771 51.127 52.037 -0.233 0.000 0.692 343 A CB 1.867 20.400 19.000 -0.779 0.000 1.291 343 A HN 0.878 nan 8.150 nan 0.000 0.407 344 N N 0.640 119.490 118.700 0.249 0.000 2.581 344 N HA 0.365 5.106 4.740 0.001 0.000 0.279 344 N C -0.926 174.551 175.510 -0.055 0.000 1.124 344 N CA -0.248 52.870 53.050 0.114 0.000 0.833 344 N CB 1.759 40.279 38.487 0.055 0.000 1.338 344 N HN 0.731 nan 8.380 nan 0.000 0.533 345 I N 1.419 121.772 120.570 -0.361 0.000 2.692 345 I HA 0.235 4.405 4.170 0.001 0.000 0.284 345 I C 0.287 176.136 176.117 -0.448 0.000 1.159 345 I CA -0.248 60.443 61.300 -1.014 0.000 1.423 345 I CB 0.577 37.939 38.000 -1.064 0.000 1.380 345 I HN 0.629 nan 8.210 nan 0.000 0.580 346 A N 7.986 130.568 122.820 -0.397 0.000 2.457 346 A HA 0.331 4.651 4.320 0.001 0.000 0.298 346 A C -0.264 177.151 177.584 -0.281 0.000 1.288 346 A CA -0.016 51.975 52.037 -0.076 0.000 0.956 346 A CB -0.237 18.857 19.000 0.157 0.000 1.135 346 A HN 0.813 nan 8.150 nan 0.000 0.535 347 Q N 0.820 120.417 119.800 -0.338 0.000 2.636 347 Q HA -0.139 4.201 4.340 0.001 0.000 0.197 347 Q C -0.161 175.636 176.000 -0.339 0.000 1.323 347 Q CA 0.177 55.700 55.803 -0.467 0.000 0.441 347 Q CB -1.104 27.254 28.738 -0.634 0.000 0.598 347 Q HN 0.744 nan 8.270 nan 0.000 0.320 348 L N 2.733 123.774 121.223 -0.304 0.000 2.027 348 L HA -0.009 4.331 4.340 0.001 0.000 0.206 348 L C 0.477 177.197 176.870 -0.250 0.000 1.074 348 L CA 1.907 56.597 54.840 -0.251 0.000 0.745 348 L CB 0.613 42.537 42.059 -0.226 0.000 0.898 348 L HN 0.492 nan 8.230 nan 0.000 0.433 349 V N 0.425 120.184 119.914 -0.259 0.000 2.623 349 V HA 0.384 4.505 4.120 0.001 0.000 0.304 349 V C -0.173 175.808 176.094 -0.189 0.000 1.054 349 V CA -0.859 61.320 62.300 -0.202 0.000 0.882 349 V CB 1.506 33.219 31.823 -0.183 0.000 1.002 349 V HN 0.353 nan 8.190 nan 0.000 0.424 350 N N 1.492 120.126 118.700 -0.109 0.000 2.778 350 N HA -0.154 4.587 4.740 0.001 0.000 0.249 350 N C -0.470 174.993 175.510 -0.079 0.000 1.069 350 N CA 1.139 54.199 53.050 0.017 0.000 0.831 350 N CB -0.634 37.901 38.487 0.079 0.000 1.142 350 N HN 0.564 nan 8.380 nan 0.000 0.573 351 V N 0.731 120.491 119.914 -0.257 0.000 2.655 351 V HA 0.439 4.559 4.120 0.001 0.000 0.301 351 V C 1.036 176.867 176.094 -0.437 0.000 1.082 351 V CA -0.692 61.390 62.300 -0.363 0.000 0.899 351 V CB 1.969 33.513 31.823 -0.466 0.000 1.014 351 V HN 0.252 nan 8.190 nan 0.000 0.429 352 L N 1.903 122.833 121.223 -0.489 0.000 6.780 352 L HA -0.279 4.062 4.340 0.001 0.000 0.053 352 L C 1.064 177.706 176.870 -0.381 0.000 1.778 352 L CA 1.082 55.609 54.840 -0.522 0.000 1.657 352 L CB -0.466 41.212 42.059 -0.634 0.000 2.738 352 L HN 0.764 nan 8.230 nan 0.000 1.065 353 Q N 0.949 120.541 119.800 -0.346 0.000 3.184 353 Q HA 0.190 4.531 4.340 0.001 0.000 0.288 353 Q C -0.658 175.182 176.000 -0.267 0.000 1.412 353 Q CA -0.172 55.466 55.803 -0.275 0.000 0.991 353 Q CB 0.280 28.855 28.738 -0.271 0.000 1.688 353 Q HN 0.411 nan 8.270 nan 0.000 0.554 354 S N -0.010 115.537 115.700 -0.255 0.000 2.580 354 S HA 0.035 4.505 4.470 0.001 0.000 0.274 354 S C 1.379 175.871 174.600 -0.179 0.000 1.329 354 S CA -0.474 57.585 58.200 -0.235 0.000 1.036 354 S CB 1.556 64.617 63.200 -0.232 0.000 0.919 354 S HN 0.544 nan 8.310 nan 0.000 0.515 355 V N 0.251 120.061 119.914 -0.174 0.000 2.951 355 V HA 0.346 4.466 4.120 0.001 0.000 0.255 355 V C 0.354 176.404 176.094 -0.073 0.000 1.088 355 V CA 0.938 63.190 62.300 -0.080 0.000 1.109 355 V CB -0.743 31.032 31.823 -0.080 0.000 0.724 355 V HN 0.658 nan 8.190 nan 0.000 0.471 356 I N 0.548 121.043 120.570 -0.125 0.000 2.686 356 I HA 0.512 4.682 4.170 0.001 0.000 0.295 356 I C -1.036 175.030 176.117 -0.085 0.000 1.114 356 I CA -0.621 60.602 61.300 -0.129 0.000 1.038 356 I CB 2.507 40.432 38.000 -0.125 0.000 1.238 356 I HN 0.019 nan 8.210 nan 0.000 0.420 357 L N 4.298 125.501 121.223 -0.033 0.000 2.346 357 L HA 0.685 5.025 4.340 0.001 0.000 0.274 357 L C -0.103 176.968 176.870 0.335 0.000 1.007 357 L CA -0.579 54.346 54.840 0.142 0.000 0.818 357 L CB 2.281 44.422 42.059 0.138 0.000 1.284 357 L HN 0.635 nan 8.230 nan 0.000 0.424 358 T N -1.696 113.057 114.554 0.332 0.000 2.924 358 T HA 0.535 4.885 4.350 0.001 0.000 0.291 358 T C -0.683 173.954 174.700 -0.105 0.000 1.045 358 T CA -0.736 61.472 62.100 0.181 0.000 1.015 358 T CB 2.499 71.373 68.868 0.008 0.000 1.103 358 T HN 0.691 nan 8.240 nan 0.000 0.496 359 E N 0.808 120.734 120.200 -0.456 0.000 2.642 359 E HA 0.450 4.801 4.350 0.001 0.000 0.284 359 E C 0.784 177.156 176.600 -0.381 0.000 1.039 359 E CA -0.017 55.989 56.400 -0.658 0.000 0.777 359 E CB 0.202 29.047 29.700 -1.425 0.000 1.473 359 E HN 1.260 nan 8.360 nan 0.000 0.388 360 G N 4.464 113.121 108.800 -0.240 0.000 2.622 360 G HA2 -0.458 3.502 3.960 0.001 0.000 0.307 360 G HA3 -0.458 3.502 3.960 0.001 0.000 0.307 360 G C 0.760 175.577 174.900 -0.137 0.000 1.226 360 G CA 0.769 45.771 45.100 -0.164 0.000 0.997 360 G HN 0.707 nan 8.290 nan 0.000 0.551 361 E N 0.856 120.987 120.200 -0.115 0.000 2.418 361 E HA 0.076 4.427 4.350 0.001 0.000 0.197 361 E C 1.325 177.883 176.600 -0.069 0.000 1.026 361 E CA 0.600 56.950 56.400 -0.084 0.000 0.862 361 E CB 0.027 29.686 29.700 -0.069 0.000 0.799 361 E HN 0.572 nan 8.360 nan 0.000 0.518 362 R N 0.923 121.365 120.500 -0.096 0.000 2.500 362 R HA 0.525 4.866 4.340 0.001 0.000 0.277 362 R C 0.059 176.398 176.300 0.065 0.000 1.026 362 R CA -0.406 55.678 56.100 -0.027 0.000 1.058 362 R CB 1.229 31.500 30.300 -0.049 0.000 1.078 362 R HN 0.184 nan 8.270 nan 0.000 0.509 363 M N 0.779 120.487 119.600 0.180 0.000 2.622 363 M HA 0.597 5.077 4.480 0.001 0.000 0.276 363 M C -1.832 174.560 176.300 0.153 0.000 1.265 363 M CA -1.243 54.201 55.300 0.239 0.000 0.850 363 M CB 2.076 34.709 32.600 0.056 0.000 1.720 363 M HN 0.431 nan 8.290 nan 0.000 0.465 364 L N 0.143 121.373 121.223 0.012 0.000 2.424 364 L HA 0.814 5.154 4.340 0.001 0.000 0.258 364 L C -1.957 174.770 176.870 -0.239 0.000 0.995 364 L CA -0.844 53.891 54.840 -0.176 0.000 0.821 364 L CB 1.804 43.629 42.059 -0.390 0.000 1.383 364 L HN 0.873 nan 8.230 nan 0.000 0.410 365 L N 1.857 122.900 121.223 -0.299 0.000 2.275 365 L HA 0.645 4.985 4.340 0.001 0.000 0.288 365 L C 0.632 177.305 176.870 -0.328 0.000 1.046 365 L CA -0.515 54.046 54.840 -0.465 0.000 0.805 365 L CB 1.558 43.175 42.059 -0.735 0.000 1.193 365 L HN 0.952 nan 8.230 nan 0.000 0.426 366 T N -0.511 113.901 114.554 -0.238 0.000 2.847 366 T HA 0.292 4.643 4.350 0.001 0.000 0.279 366 T C -1.959 172.692 174.700 -0.081 0.000 0.984 366 T CA -1.826 60.201 62.100 -0.121 0.000 0.988 366 T CB 1.353 70.171 68.868 -0.083 0.000 1.040 366 T HN 0.296 nan 8.240 nan 0.000 0.528 367 P HA -0.017 nan 4.420 nan 0.000 0.222 367 P C 1.479 178.861 177.300 0.136 0.000 1.147 367 P CA 0.892 64.102 63.100 0.182 0.000 0.790 367 P CB -0.222 31.575 31.700 0.162 0.000 0.780 368 T N -1.573 113.033 114.554 0.086 0.000 2.777 368 T HA -0.203 4.148 4.350 0.001 0.000 0.266 368 T C 1.565 176.386 174.700 0.202 0.000 1.040 368 T CA 1.114 63.291 62.100 0.128 0.000 1.141 368 T CB -1.125 67.782 68.868 0.066 0.000 0.868 368 T HN 0.122 nan 8.240 nan 0.000 0.444 369 Y N 1.681 121.951 120.300 -0.050 0.000 2.151 369 Y HA -0.308 4.243 4.550 0.001 0.000 0.284 369 Y C 2.568 178.478 175.900 0.017 0.000 1.166 369 Y CA 1.782 59.832 58.100 -0.083 0.000 1.163 369 Y CB -0.317 37.972 38.460 -0.284 0.000 0.974 369 Y HN 0.343 nan 8.280 nan 0.000 0.511 370 H N -1.194 118.047 119.070 0.285 0.000 2.389 370 H HA -0.116 4.441 4.556 0.001 0.000 0.299 370 H C 2.524 177.883 175.328 0.051 0.000 1.081 370 H CA 1.597 57.760 56.048 0.193 0.000 1.345 370 H CB -0.686 29.184 29.762 0.181 0.000 1.393 370 H HN 0.343 nan 8.280 nan 0.000 0.520 371 V N 0.822 120.798 119.914 0.103 0.000 2.255 371 V HA -0.252 3.869 4.120 0.001 0.000 0.247 371 V C 2.293 178.284 176.094 -0.172 0.000 1.051 371 V CA 1.741 63.933 62.300 -0.179 0.000 1.018 371 V CB -0.852 30.762 31.823 -0.348 0.000 0.641 371 V HN 0.171 nan 8.190 nan 0.000 0.445 372 F N 0.655 120.549 119.950 -0.094 0.000 2.171 372 F HA -0.159 4.368 4.527 0.001 0.000 0.300 372 F C 2.379 178.155 175.800 -0.040 0.000 1.090 372 F CA 1.984 60.005 58.000 0.035 0.000 1.293 372 F CB -0.601 38.437 39.000 0.063 0.000 1.013 372 F HN 0.202 nan 8.300 nan 0.000 0.486 373 N N 0.160 118.838 118.700 -0.038 0.000 2.142 373 N HA -0.148 4.593 4.740 0.001 0.000 0.186 373 N C 1.781 177.318 175.510 0.044 0.000 1.023 373 N CA 1.413 54.417 53.050 -0.077 0.000 0.852 373 N CB -0.220 38.186 38.487 -0.135 0.000 0.998 373 N HN 0.190 nan 8.380 nan 0.000 0.424 374 M N -1.094 118.576 119.600 0.118 0.000 2.117 374 M HA -0.083 4.398 4.480 0.001 0.000 0.262 374 M C 0.901 177.339 176.300 0.230 0.000 1.065 374 M CA 1.110 56.517 55.300 0.178 0.000 1.114 374 M CB -0.177 32.574 32.600 0.251 0.000 1.361 374 M HN 0.053 nan 8.290 nan 0.000 0.408 375 F N 1.107 121.031 119.950 -0.043 0.000 2.811 375 F HA -0.008 4.520 4.527 0.001 0.000 0.301 375 F C 2.074 177.683 175.800 -0.318 0.000 1.151 375 F CA 0.436 58.413 58.000 -0.037 0.000 1.412 375 F CB -0.859 38.302 39.000 0.268 0.000 1.113 375 F HN 0.209 nan 8.300 nan 0.000 0.579 376 K N 0.567 120.881 120.400 -0.143 0.000 2.281 376 K HA -0.136 4.185 4.320 0.001 0.000 0.203 376 K C 1.747 178.140 176.600 -0.344 0.000 1.046 376 K CA 1.737 57.847 56.287 -0.296 0.000 0.938 376 K CB -1.022 31.397 32.500 -0.135 0.000 0.737 376 K HN 0.278 nan 8.250 nan 0.000 0.458 377 V N -0.908 118.755 119.914 -0.418 0.000 2.688 377 V HA -0.190 3.930 4.120 0.001 0.000 0.256 377 V C 1.791 177.583 176.094 -0.503 0.000 1.084 377 V CA 1.464 63.400 62.300 -0.606 0.000 1.103 377 V CB -0.991 30.126 31.823 -1.177 0.000 0.688 377 V HN 0.338 nan 8.190 nan 0.000 0.480 378 H N 0.280 119.152 119.070 -0.331 0.000 2.529 378 H HA 0.200 4.756 4.556 0.001 0.000 0.277 378 H C 1.093 176.303 175.328 -0.196 0.000 0.999 378 H CA 0.383 56.287 56.048 -0.240 0.000 1.256 378 H CB -0.122 29.569 29.762 -0.118 0.000 1.402 378 H HN 0.619 nan 8.280 nan 0.000 0.566 379 Q N 1.511 121.213 119.800 -0.164 0.000 2.255 379 Q HA -0.051 4.289 4.340 0.001 0.000 0.280 379 Q C -0.070 175.922 176.000 -0.012 0.000 1.068 379 Q CA 0.169 55.930 55.803 -0.070 0.000 0.911 379 Q CB 0.419 29.089 28.738 -0.113 0.000 1.157 379 Q HN 0.264 nan 8.270 nan 0.000 0.380 380 D N -0.305 120.115 120.400 0.032 0.000 3.012 380 D HA -0.194 4.446 4.640 0.001 0.000 0.222 380 D C -0.559 175.743 176.300 0.003 0.000 1.167 380 D CA 1.294 55.307 54.000 0.021 0.000 0.854 380 D CB -0.913 39.898 40.800 0.020 0.000 1.107 380 D HN 0.632 nan 8.370 nan 0.000 0.421 381 A N 0.009 122.826 122.820 -0.006 0.000 2.271 381 A HA 0.492 4.812 4.320 0.001 0.000 0.288 381 A C 0.430 178.001 177.584 -0.021 0.000 1.094 381 A CA -0.321 51.712 52.037 -0.007 0.000 0.828 381 A CB 0.789 19.796 19.000 0.011 0.000 1.091 381 A HN 0.077 nan 8.150 nan 0.000 0.493 382 E N 0.383 120.573 120.200 -0.017 0.000 2.223 382 E HA 0.247 4.597 4.350 0.001 0.000 0.282 382 E C -0.866 175.704 176.600 -0.051 0.000 1.046 382 E CA -0.482 55.900 56.400 -0.030 0.000 0.857 382 E CB 0.986 30.673 29.700 -0.022 0.000 1.055 382 E HN 0.475 nan 8.360 nan 0.000 0.409 383 L N 5.034 126.214 121.223 -0.071 0.000 2.462 383 L HA 0.091 4.431 4.340 0.001 0.000 0.272 383 L C -0.939 175.883 176.870 -0.079 0.000 1.166 383 L CA 0.571 55.354 54.840 -0.096 0.000 0.880 383 L CB 0.188 42.191 42.059 -0.093 0.000 1.142 383 L HN 0.463 nan 8.230 nan 0.000 0.473 384 L N 3.919 125.086 121.223 -0.092 0.000 2.343 384 L HA 0.324 4.664 4.340 0.001 0.000 0.275 384 L C -0.057 176.739 176.870 -0.123 0.000 1.056 384 L CA -0.877 53.901 54.840 -0.103 0.000 0.804 384 L CB 1.353 43.345 42.059 -0.111 0.000 1.203 384 L HN 0.592 nan 8.230 nan 0.000 0.440 385 D N 1.637 121.955 120.400 -0.136 0.000 2.434 385 D HA 0.165 4.805 4.640 0.001 0.000 0.252 385 D C -0.419 175.709 176.300 -0.287 0.000 1.185 385 D CA 0.234 54.139 54.000 -0.158 0.000 0.886 385 D CB 0.721 41.439 40.800 -0.136 0.000 1.148 385 D HN 0.573 nan 8.370 nan 0.000 0.483 386 T N 1.437 115.858 114.554 -0.221 0.000 2.886 386 T HA 0.569 4.919 4.350 0.001 0.000 0.292 386 T C -0.938 173.718 174.700 -0.072 0.000 1.012 386 T CA -1.065 60.881 62.100 -0.257 0.000 0.982 386 T CB 0.780 69.556 68.868 -0.152 0.000 1.018 386 T HN 0.272 nan 8.240 nan 0.000 0.451 387 W N 2.091 123.364 121.300 -0.045 0.000 2.606 387 W HA 0.643 5.303 4.660 0.001 0.000 0.332 387 W C 0.071 176.571 176.519 -0.032 0.000 1.052 387 W CA -0.922 56.401 57.345 -0.037 0.000 1.223 387 W CB 1.082 30.525 29.460 -0.029 0.000 1.383 387 W HN 1.033 nan 8.180 nan 0.000 0.524 388 E N 0.143 120.459 120.200 0.194 0.000 2.383 388 E HA 0.626 4.977 4.350 0.001 0.000 0.275 388 E C -1.490 175.161 176.600 0.084 0.000 0.918 388 E CA -0.964 55.500 56.400 0.107 0.000 0.764 388 E CB 2.378 32.113 29.700 0.060 0.000 1.252 388 E HN 0.061 nan 8.360 nan 0.000 0.449 389 S N 1.613 117.354 115.700 0.069 0.000 2.746 389 S HA 0.386 4.856 4.470 0.001 0.000 0.273 389 S C -0.945 173.684 174.600 0.048 0.000 1.172 389 S CA -0.581 57.650 58.200 0.052 0.000 1.116 389 S CB 0.756 63.986 63.200 0.050 0.000 1.057 389 S HN 0.692 nan 8.310 nan 0.000 0.483 390 V N 2.951 122.892 119.914 0.044 0.000 2.667 390 V HA 0.759 4.879 4.120 0.001 0.000 0.308 390 V C 0.050 176.170 176.094 0.042 0.000 1.048 390 V CA -0.975 61.353 62.300 0.047 0.000 0.928 390 V CB 1.451 33.306 31.823 0.053 0.000 1.004 390 V HN 0.915 nan 8.190 nan 0.000 0.444 391 E N 3.990 124.216 120.200 0.044 0.000 2.391 391 E HA 0.391 4.742 4.350 0.001 0.000 0.255 391 E C -0.668 175.953 176.600 0.035 0.000 1.187 391 E CA -0.845 55.576 56.400 0.035 0.000 0.941 391 E CB 0.646 30.367 29.700 0.035 0.000 1.010 391 E HN 0.645 nan 8.360 nan 0.000 0.458 392 R N 0.235 120.746 120.500 0.019 0.000 2.674 392 R HA 0.542 4.882 4.340 0.001 0.000 0.266 392 R C -0.173 176.124 176.300 -0.005 0.000 1.016 392 R CA -0.685 55.420 56.100 0.008 0.000 1.062 392 R CB 1.531 31.824 30.300 -0.012 0.000 1.142 392 R HN 0.752 nan 8.270 nan 0.000 0.517 393 T N -1.492 113.047 114.554 -0.025 0.000 2.787 393 T HA 0.606 4.956 4.350 0.001 0.000 0.297 393 T C -0.613 173.909 174.700 -0.298 0.000 1.221 393 T CA 0.470 62.523 62.100 -0.079 0.000 1.006 393 T CB 1.364 70.279 68.868 0.079 0.000 1.328 393 T HN 0.878 nan 8.240 nan 0.000 0.509 394 G N 2.041 110.396 108.800 -0.741 0.000 2.828 394 G HA2 -0.078 3.882 3.960 0.001 0.000 0.463 394 G HA3 -0.078 3.882 3.960 0.001 0.000 0.463 394 G C -2.905 171.500 174.900 -0.825 0.000 1.394 394 G CA -0.686 43.486 45.100 -1.547 0.000 0.862 394 G HN 0.775 nan 8.290 nan 0.000 0.540 395 P HA 0.323 nan 4.420 nan 0.000 0.261 395 P C 0.304 177.471 177.300 -0.222 0.000 1.183 395 P CA 1.066 63.951 63.100 -0.358 0.000 0.761 395 P CB 0.066 31.620 31.700 -0.242 0.000 0.785 396 E N 2.298 122.407 120.200 -0.151 0.000 2.660 396 E HA -0.278 4.072 4.350 0.001 0.000 0.260 396 E C 0.913 177.456 176.600 -0.095 0.000 1.122 396 E CA 0.586 56.929 56.400 -0.096 0.000 0.755 396 E CB -2.149 27.513 29.700 -0.063 0.000 1.345 396 E HN 0.913 nan 8.360 nan 0.000 0.421 397 G N 0.665 109.385 108.800 -0.134 0.000 2.283 397 G HA2 -0.393 3.568 3.960 0.001 0.000 0.280 397 G HA3 -0.393 3.568 3.960 0.001 0.000 0.280 397 G C 0.582 175.438 174.900 -0.073 0.000 1.029 397 G CA 1.072 46.110 45.100 -0.103 0.000 0.840 397 G HN 0.732 nan 8.290 nan 0.000 0.505 398 E N -1.135 119.011 120.200 -0.091 0.000 2.409 398 E HA 0.157 4.507 4.350 0.001 0.000 0.198 398 E C 1.063 177.667 176.600 0.007 0.000 1.024 398 E CA 0.336 56.715 56.400 -0.035 0.000 0.861 398 E CB 0.138 29.819 29.700 -0.031 0.000 0.788 398 E HN 0.601 nan 8.360 nan 0.000 0.521 399 L N 1.022 122.248 121.223 0.005 0.000 2.333 399 L HA 0.490 4.831 4.340 0.001 0.000 0.269 399 L C -2.475 174.436 176.870 0.068 0.000 1.010 399 L CA -3.188 51.696 54.840 0.074 0.000 0.818 399 L CB 1.826 43.985 42.059 0.167 0.000 1.306 399 L HN -0.168 nan 8.230 nan 0.000 0.430 400 P HA 0.101 nan 4.420 nan 0.000 0.275 400 P C -0.239 177.129 177.300 0.113 0.000 1.227 400 P CA -0.437 62.712 63.100 0.081 0.000 0.781 400 P CB 1.015 32.762 31.700 0.079 0.000 0.906 401 K N 1.782 122.243 120.400 0.102 0.000 2.155 401 K HA 0.039 4.360 4.320 0.001 0.000 0.203 401 K C 0.014 176.697 176.600 0.138 0.000 1.052 401 K CA 1.053 57.418 56.287 0.130 0.000 0.948 401 K CB 0.148 32.707 32.500 0.099 0.000 0.728 401 K HN 0.258 nan 8.250 nan 0.000 0.448 402 V N 0.191 120.173 119.914 0.113 0.000 2.789 402 V HA 0.261 4.381 4.120 0.001 0.000 0.311 402 V C -1.098 175.065 176.094 0.114 0.000 1.073 402 V CA -0.987 61.381 62.300 0.114 0.000 0.921 402 V CB 1.748 33.627 31.823 0.093 0.000 1.009 402 V HN 0.095 nan 8.190 nan 0.000 0.426 403 S N 3.239 119.028 115.700 0.149 0.000 2.478 403 S HA 0.830 5.301 4.470 0.001 0.000 0.312 403 S C -1.088 173.651 174.600 0.232 0.000 1.094 403 S CA -0.402 57.916 58.200 0.196 0.000 1.081 403 S CB 1.307 64.664 63.200 0.261 0.000 1.007 403 S HN 0.526 nan 8.310 nan 0.000 0.475 404 V N 3.504 123.429 119.914 0.018 0.000 2.709 404 V HA 0.804 4.925 4.120 0.001 0.000 0.308 404 V C -0.211 175.617 176.094 -0.444 0.000 1.062 404 V CA -0.701 61.514 62.300 -0.142 0.000 0.901 404 V CB 1.941 33.727 31.823 -0.062 0.000 1.003 404 V HN 0.823 nan 8.190 nan 0.000 0.425 405 S N 2.103 117.457 115.700 -0.576 0.000 2.540 405 S HA 0.891 5.362 4.470 0.001 0.000 0.275 405 S C -0.891 173.573 174.600 -0.225 0.000 1.123 405 S CA 0.070 57.982 58.200 -0.480 0.000 0.907 405 S CB 1.751 64.530 63.200 -0.702 0.000 1.081 405 S HN 1.378 nan 8.310 nan 0.000 0.476 406 A N 2.447 125.173 122.820 -0.157 0.000 2.371 406 A HA 0.899 5.220 4.320 0.001 0.000 0.311 406 A C -0.359 177.190 177.584 -0.058 0.000 1.068 406 A CA -0.497 51.499 52.037 -0.068 0.000 0.744 406 A CB 1.509 20.452 19.000 -0.095 0.000 1.239 406 A HN 1.398 nan 8.150 nan 0.000 0.435 407 S N 1.341 117.065 115.700 0.039 0.000 2.618 407 S HA 0.815 5.285 4.470 0.001 0.000 0.277 407 S C -0.722 173.909 174.600 0.051 0.000 1.138 407 S CA -0.869 57.349 58.200 0.030 0.000 0.844 407 S CB 1.714 64.961 63.200 0.079 0.000 1.127 407 S HN 0.966 nan 8.310 nan 0.000 0.474 408 R N 0.749 121.263 120.500 0.024 0.000 2.393 408 R HA 0.714 5.054 4.340 0.001 0.000 0.315 408 R C 0.000 176.328 176.300 0.046 0.000 0.952 408 R CA -0.510 55.603 56.100 0.021 0.000 0.842 408 R CB 1.278 31.566 30.300 -0.021 0.000 1.163 408 R HN 0.977 nan 8.270 nan 0.000 0.450 409 A N 2.922 125.797 122.820 0.093 0.000 2.280 409 A HA 0.444 4.764 4.320 0.001 0.000 0.268 409 A C 1.112 178.716 177.584 0.034 0.000 1.111 409 A CA 0.305 52.387 52.037 0.074 0.000 0.814 409 A CB 0.349 19.434 19.000 0.141 0.000 1.093 409 A HN 0.972 nan 8.150 nan 0.000 0.498 410 A N -0.092 122.742 122.820 0.023 0.000 2.070 410 A HA -0.074 4.246 4.320 0.001 0.000 0.220 410 A C 1.194 178.785 177.584 0.012 0.000 1.159 410 A CA 1.860 53.904 52.037 0.013 0.000 0.656 410 A CB -0.643 18.363 19.000 0.010 0.000 0.800 410 A HN 0.855 nan 8.150 nan 0.000 0.453 411 D N -2.276 118.135 120.400 0.019 0.000 2.319 411 D HA 0.303 4.943 4.640 0.001 0.000 0.230 411 D C 1.159 177.460 176.300 0.002 0.000 1.094 411 D CA 0.768 54.776 54.000 0.013 0.000 0.856 411 D CB -0.565 40.248 40.800 0.021 0.000 0.915 411 D HN 0.621 nan 8.370 nan 0.000 0.517 412 G N 0.184 108.982 108.800 -0.003 0.000 2.267 412 G HA2 -0.348 3.613 3.960 0.001 0.000 0.257 412 G HA3 -0.348 3.613 3.960 0.001 0.000 0.257 412 G C 0.330 175.201 174.900 -0.048 0.000 0.998 412 G CA 0.208 45.295 45.100 -0.022 0.000 0.620 412 G HN 0.479 nan 8.290 nan 0.000 0.529 413 K N 0.409 120.776 120.400 -0.056 0.000 2.436 413 K HA 0.462 4.782 4.320 0.001 0.000 0.275 413 K C 0.304 176.757 176.600 -0.246 0.000 0.999 413 K CA 0.116 56.306 56.287 -0.162 0.000 0.980 413 K CB 0.815 33.206 32.500 -0.182 0.000 0.919 413 K HN 0.322 nan 8.250 nan 0.000 0.484 414 I N 3.041 123.414 120.570 -0.329 0.000 2.359 414 I HA 0.158 4.328 4.170 0.001 0.000 0.294 414 I C -0.471 175.367 176.117 -0.464 0.000 0.987 414 I CA -0.711 60.425 61.300 -0.273 0.000 1.225 414 I CB 1.061 38.963 38.000 -0.163 0.000 1.366 414 I HN 0.549 nan 8.210 nan 0.000 0.466 415 H N 6.152 125.171 119.070 -0.084 0.000 2.489 415 H HA 0.587 5.143 4.556 0.001 0.000 0.343 415 H C -0.810 174.483 175.328 -0.058 0.000 1.086 415 H CA -0.459 55.517 56.048 -0.119 0.000 1.198 415 H CB 1.637 31.248 29.762 -0.251 0.000 1.490 415 H HN 0.367 nan 8.280 nan 0.000 0.504 416 I N 2.733 123.315 120.570 0.020 0.000 2.410 416 I HA 0.277 4.447 4.170 0.001 0.000 0.286 416 I C -0.356 175.764 176.117 0.005 0.000 1.009 416 I CA -0.659 60.643 61.300 0.003 0.000 1.111 416 I CB 1.453 39.418 38.000 -0.058 0.000 1.262 416 I HN 0.572 nan 8.210 nan 0.000 0.443 417 S N 7.033 122.758 115.700 0.042 0.000 2.509 417 S HA 0.881 5.352 4.470 0.001 0.000 0.297 417 S C -0.816 173.883 174.600 0.165 0.000 1.118 417 S CA -0.774 57.466 58.200 0.066 0.000 1.074 417 S CB 1.909 65.040 63.200 -0.116 0.000 1.038 417 S HN 0.397 nan 8.310 nan 0.000 0.498 418 L N 1.480 122.815 121.223 0.185 0.000 2.436 418 L HA 0.523 4.863 4.340 0.001 0.000 0.268 418 L C -0.977 176.005 176.870 0.187 0.000 0.974 418 L CA -0.387 54.560 54.840 0.179 0.000 0.826 418 L CB 1.864 43.951 42.059 0.048 0.000 1.291 418 L HN 0.827 nan 8.230 nan 0.000 0.406 419 C N 1.383 120.807 119.300 0.207 0.000 2.351 419 C HA 0.560 5.021 4.460 0.001 0.000 0.326 419 C C 0.191 175.264 174.990 0.138 0.000 1.272 419 C CA -0.788 58.315 59.018 0.142 0.000 1.650 419 C CB 1.006 28.802 27.740 0.093 0.000 2.257 419 C HN 0.761 nan 8.230 nan 0.000 0.505 420 N N 2.114 120.898 118.700 0.140 0.000 2.485 420 N HA 0.325 5.066 4.740 0.001 0.000 0.243 420 N C 0.209 175.865 175.510 0.244 0.000 0.987 420 N CA -0.529 52.620 53.050 0.165 0.000 0.940 420 N CB 0.716 39.286 38.487 0.138 0.000 1.122 420 N HN 0.495 nan 8.380 nan 0.000 0.509 421 L N 1.390 122.778 121.223 0.275 0.000 2.478 421 L HA 0.153 4.493 4.340 0.001 0.000 0.223 421 L C 0.522 177.768 176.870 0.627 0.000 1.140 421 L CA 0.644 55.725 54.840 0.401 0.000 0.842 421 L CB -0.546 41.714 42.059 0.334 0.000 0.953 421 L HN 0.536 nan 8.230 nan 0.000 0.452 422 D N -0.754 119.904 120.400 0.430 0.000 2.295 422 D HA 0.035 4.676 4.640 0.001 0.000 0.248 422 D C 1.007 177.351 176.300 0.074 0.000 1.154 422 D CA -0.400 53.785 54.000 0.309 0.000 0.857 422 D CB 0.791 41.701 40.800 0.184 0.000 1.117 422 D HN 0.151 nan 8.370 nan 0.000 0.468 423 F N 2.006 121.841 119.950 -0.193 0.000 2.710 423 F HA 0.272 4.799 4.527 0.001 0.000 0.298 423 F C 1.431 177.103 175.800 -0.213 0.000 1.137 423 F CA 0.010 57.755 58.000 -0.424 0.000 1.444 423 F CB -0.237 38.092 39.000 -1.118 0.000 1.111 423 F HN 0.301 nan 8.300 nan 0.000 0.580 424 E N 0.893 120.738 120.200 -0.592 0.000 2.042 424 E HA 0.052 4.403 4.350 0.001 0.000 0.189 424 E C 0.708 177.242 176.600 -0.109 0.000 0.974 424 E CA 1.284 57.480 56.400 -0.340 0.000 0.806 424 E CB -0.044 29.412 29.700 -0.406 0.000 0.769 424 E HN 0.460 nan 8.360 nan 0.000 0.451 425 T N -1.811 112.696 114.554 -0.078 0.000 2.906 425 T HA 0.602 4.953 4.350 0.001 0.000 0.295 425 T C 0.403 175.120 174.700 0.028 0.000 1.075 425 T CA -0.666 61.429 62.100 -0.009 0.000 1.005 425 T CB 1.829 70.695 68.868 -0.003 0.000 1.136 425 T HN 0.088 nan 8.240 nan 0.000 0.498 426 G N -0.021 108.810 108.800 0.051 0.000 2.684 426 G HA2 0.527 4.488 3.960 0.001 0.000 0.255 426 G HA3 0.527 4.488 3.960 0.001 0.000 0.255 426 G C -0.236 174.711 174.900 0.080 0.000 1.219 426 G CA -0.442 44.705 45.100 0.078 0.000 0.901 426 G HN 1.257 nan 8.290 nan 0.000 0.548 427 A N 0.120 122.998 122.820 0.096 0.000 2.319 427 A HA 0.668 4.989 4.320 0.001 0.000 0.310 427 A C 0.092 177.737 177.584 0.101 0.000 1.152 427 A CA -0.482 51.610 52.037 0.092 0.000 0.783 427 A CB 1.300 20.357 19.000 0.094 0.000 1.184 427 A HN 0.669 nan 8.150 nan 0.000 0.474 428 S N 1.010 116.764 115.700 0.090 0.000 2.489 428 S HA 0.526 4.996 4.470 0.001 0.000 0.277 428 S C -0.213 174.442 174.600 0.092 0.000 1.230 428 S CA -0.385 57.873 58.200 0.097 0.000 1.053 428 S CB 0.984 64.233 63.200 0.082 0.000 0.955 428 S HN 0.626 nan 8.310 nan 0.000 0.488 429 V N 3.079 123.055 119.914 0.103 0.000 2.525 429 V HA 0.318 4.438 4.120 0.001 0.000 0.299 429 V C -0.687 175.463 176.094 0.093 0.000 1.034 429 V CA -0.923 61.429 62.300 0.087 0.000 0.863 429 V CB 1.909 33.777 31.823 0.075 0.000 0.999 429 V HN 0.858 nan 8.190 nan 0.000 0.423 430 D N 5.009 125.460 120.400 0.085 0.000 2.359 430 D HA 0.468 5.109 4.640 0.001 0.000 0.230 430 D C -0.470 175.867 176.300 0.061 0.000 1.118 430 D CA -0.106 53.952 54.000 0.097 0.000 0.844 430 D CB 0.801 41.673 40.800 0.119 0.000 1.059 430 D HN 0.473 nan 8.370 nan 0.000 0.493 431 I N 3.151 123.743 120.570 0.037 0.000 2.321 431 I HA 0.252 4.422 4.170 0.001 0.000 0.291 431 I C 0.380 176.426 176.117 -0.118 0.000 0.998 431 I CA -0.822 60.459 61.300 -0.032 0.000 1.227 431 I CB 1.507 39.484 38.000 -0.038 0.000 1.368 431 I HN 0.402 nan 8.210 nan 0.000 0.466 432 E N 7.364 127.450 120.200 -0.190 0.000 2.174 432 E HA 0.423 4.773 4.350 0.001 0.000 0.282 432 E C -1.247 175.199 176.600 -0.256 0.000 0.992 432 E CA -0.677 55.505 56.400 -0.363 0.000 0.803 432 E CB 1.104 30.596 29.700 -0.347 0.000 1.090 432 E HN 0.537 nan 8.360 nan 0.000 0.396 433 L N 5.640 126.720 121.223 -0.237 0.000 2.259 433 L HA 0.468 4.808 4.340 0.001 0.000 0.288 433 L C 0.501 177.278 176.870 -0.155 0.000 1.051 433 L CA -0.443 54.295 54.840 -0.170 0.000 0.824 433 L CB 0.726 42.714 42.059 -0.119 0.000 1.206 433 L HN 0.428 nan 8.230 nan 0.000 0.429 434 R N 1.439 121.837 120.500 -0.171 0.000 2.782 434 R HA 0.530 4.871 4.340 0.001 0.000 0.258 434 R C 0.893 177.122 176.300 -0.120 0.000 1.055 434 R CA -0.299 55.717 56.100 -0.139 0.000 1.065 434 R CB 1.443 31.640 30.300 -0.172 0.000 1.172 434 R HN 0.779 nan 8.270 nan 0.000 0.510 435 G N 0.773 109.522 108.800 -0.084 0.000 2.212 435 G HA2 -0.268 3.693 3.960 0.001 0.000 0.267 435 G HA3 -0.268 3.693 3.960 0.001 0.000 0.267 435 G C -0.342 174.521 174.900 -0.063 0.000 1.002 435 G CA 0.235 45.293 45.100 -0.069 0.000 0.729 435 G HN 0.283 nan 8.290 nan 0.000 0.517 436 L N 0.820 122.007 121.223 -0.061 0.000 2.281 436 L HA 0.417 4.757 4.340 0.001 0.000 0.285 436 L C 1.309 178.157 176.870 -0.036 0.000 1.074 436 L CA -0.025 54.783 54.840 -0.053 0.000 0.817 436 L CB 0.135 42.160 42.059 -0.057 0.000 1.168 436 L HN 0.320 nan 8.230 nan 0.000 0.434 437 N N 2.281 120.962 118.700 -0.032 0.000 2.013 437 N HA -0.187 4.553 4.740 0.001 0.000 0.191 437 N C 0.897 176.397 175.510 -0.017 0.000 1.084 437 N CA 1.490 54.527 53.050 -0.022 0.000 0.904 437 N CB -0.245 38.229 38.487 -0.021 0.000 1.065 437 N HN 0.806 nan 8.380 nan 0.000 0.492 438 G N -0.985 107.806 108.800 -0.015 0.000 3.152 438 G HA2 0.433 4.394 3.960 0.001 0.000 0.157 438 G HA3 0.433 4.394 3.960 0.001 0.000 0.157 438 G C -0.001 174.893 174.900 -0.009 0.000 1.786 438 G CA 0.194 45.288 45.100 -0.010 0.000 1.055 438 G HN 0.493 nan 8.290 nan 0.000 0.528 439 G N -1.827 106.969 108.800 -0.006 0.000 2.597 439 G HA2 0.644 4.604 3.960 0.001 0.000 0.317 439 G HA3 0.644 4.604 3.960 0.001 0.000 0.317 439 G C -0.948 173.948 174.900 -0.007 0.000 1.230 439 G CA 0.187 45.286 45.100 -0.002 0.000 0.996 439 G HN 1.364 nan 8.290 nan 0.000 0.490 440 V N -2.012 117.901 119.914 -0.002 0.000 3.078 440 V HA 0.912 5.032 4.120 0.001 0.000 0.311 440 V C -0.077 176.026 176.094 0.015 0.000 1.138 440 V CA -0.564 61.733 62.300 -0.005 0.000 1.007 440 V CB 1.345 33.153 31.823 -0.024 0.000 1.045 440 V HN 1.239 nan 8.190 nan 0.000 0.432 441 S N 1.423 117.134 115.700 0.017 0.000 2.648 441 S HA 0.995 5.466 4.470 0.001 0.000 0.305 441 S C -0.256 174.375 174.600 0.052 0.000 1.094 441 S CA -0.245 57.983 58.200 0.048 0.000 0.983 441 S CB 1.837 65.062 63.200 0.042 0.000 1.101 441 S HN 2.336 nan 8.310 nan 0.000 0.514 442 A N 1.240 124.134 122.820 0.122 0.000 2.449 442 A HA 0.862 5.183 4.320 0.001 0.000 0.302 442 A C -0.081 177.638 177.584 0.226 0.000 1.048 442 A CA -0.675 51.426 52.037 0.107 0.000 0.708 442 A CB 1.420 20.442 19.000 0.036 0.000 1.274 442 A HN 1.371 nan 8.150 nan 0.000 0.410 443 T N -0.962 113.671 114.554 0.131 0.000 2.924 443 T HA 0.878 5.228 4.350 0.001 0.000 0.291 443 T C 0.019 174.805 174.700 0.143 0.000 1.045 443 T CA -0.239 61.985 62.100 0.205 0.000 1.015 443 T CB 1.936 70.887 68.868 0.138 0.000 1.103 443 T HN 1.750 nan 8.240 nan 0.000 0.496 444 G N -0.405 108.553 108.800 0.262 0.000 2.659 444 G HA2 0.618 4.579 3.960 0.001 0.000 0.296 444 G HA3 0.618 4.579 3.960 0.001 0.000 0.296 444 G C -1.255 173.823 174.900 0.297 0.000 1.369 444 G CA -0.728 44.537 45.100 0.274 0.000 0.937 444 G HN 0.921 nan 8.290 nan 0.000 0.485 445 T N -1.037 113.646 114.554 0.216 0.000 2.916 445 T HA 0.711 5.061 4.350 0.001 0.000 0.298 445 T C -0.924 173.851 174.700 0.125 0.000 1.031 445 T CA -0.385 61.825 62.100 0.183 0.000 0.993 445 T CB 2.064 71.008 68.868 0.126 0.000 1.045 445 T HN 0.679 nan 8.240 nan 0.000 0.454 446 T N 3.737 118.369 114.554 0.130 0.000 2.900 446 T HA 0.699 5.049 4.350 0.001 0.000 0.295 446 T C -1.617 173.123 174.700 0.065 0.000 1.044 446 T CA -0.620 61.512 62.100 0.052 0.000 0.995 446 T CB 1.262 70.146 68.868 0.025 0.000 1.072 446 T HN 0.603 nan 8.240 nan 0.000 0.473 447 L N 4.274 125.531 121.223 0.056 0.000 2.319 447 L HA 0.832 5.172 4.340 0.001 0.000 0.281 447 L C -0.239 176.677 176.870 0.077 0.000 1.005 447 L CA 0.304 55.180 54.840 0.060 0.000 0.828 447 L CB 1.643 43.747 42.059 0.076 0.000 1.227 447 L HN 0.781 nan 8.230 nan 0.000 0.415 448 T N 2.267 116.868 114.554 0.078 0.000 2.671 448 T HA 0.768 5.118 4.350 0.001 0.000 0.300 448 T C -1.662 173.086 174.700 0.080 0.000 1.238 448 T CA -0.041 62.115 62.100 0.093 0.000 1.020 448 T CB 1.511 70.435 68.868 0.093 0.000 1.503 448 T HN 0.737 nan 8.240 nan 0.000 0.497 449 S N -1.612 114.135 115.700 0.078 0.000 2.588 449 S HA 0.612 5.082 4.470 0.001 0.000 0.269 449 S C 0.763 175.382 174.600 0.032 0.000 1.157 449 S CA 0.249 58.480 58.200 0.052 0.000 0.824 449 S CB 0.985 64.224 63.200 0.064 0.000 1.126 449 S HN 1.137 nan 8.310 nan 0.000 0.464 450 G N 1.387 110.191 108.800 0.008 0.000 2.744 450 G HA2 0.206 4.166 3.960 0.001 0.000 0.211 450 G HA3 0.206 4.166 3.960 0.001 0.000 0.211 450 G C 0.276 175.153 174.900 -0.037 0.000 1.146 450 G CA 0.066 45.162 45.100 -0.007 0.000 0.787 450 G HN 0.495 nan 8.290 nan 0.000 0.534 451 R N 0.165 120.635 120.500 -0.050 0.000 2.664 451 R HA 0.343 4.683 4.340 0.001 0.000 0.286 451 R C 1.400 177.629 176.300 -0.119 0.000 0.967 451 R CA -0.837 55.201 56.100 -0.102 0.000 0.933 451 R CB 1.590 31.832 30.300 -0.096 0.000 1.146 451 R HN 0.233 nan 8.270 nan 0.000 0.468 452 I N -1.368 119.047 120.570 -0.259 0.000 2.756 452 I HA -0.100 4.071 4.170 0.001 0.000 0.262 452 I C 0.489 176.631 176.117 0.043 0.000 1.225 452 I CA 1.332 62.472 61.300 -0.267 0.000 1.472 452 I CB -0.131 37.475 38.000 -0.656 0.000 1.094 452 I HN 0.369 nan 8.210 nan 0.000 0.454 453 D N 1.257 121.558 120.400 -0.165 0.000 2.559 453 D HA 0.168 4.808 4.640 0.001 0.000 0.234 453 D C 0.900 177.284 176.300 0.140 0.000 1.226 453 D CA -0.395 53.563 54.000 -0.070 0.000 0.830 453 D CB -0.328 40.167 40.800 -0.508 0.000 1.028 453 D HN 0.257 nan 8.370 nan 0.000 0.492 454 G N 1.259 110.125 108.800 0.111 0.000 2.225 454 G HA2 0.316 4.277 3.960 0.001 0.000 0.245 454 G HA3 0.316 4.277 3.960 0.001 0.000 0.245 454 G C 0.101 175.104 174.900 0.172 0.000 1.249 454 G CA 0.134 45.290 45.100 0.094 0.000 0.919 454 G HN 0.598 nan 8.290 nan 0.000 0.486 455 H N 0.242 119.311 119.070 -0.003 0.000 3.017 455 H HA 0.367 4.924 4.556 0.001 0.000 0.346 455 H C -1.107 174.201 175.328 -0.033 0.000 1.286 455 H CA -1.159 54.884 56.048 -0.009 0.000 1.120 455 H CB 1.010 30.758 29.762 -0.023 0.000 1.860 455 H HN 0.338 nan 8.280 nan 0.000 0.542 456 N N 0.975 119.671 118.700 -0.005 0.000 2.498 456 N HA 0.312 5.052 4.740 0.001 0.000 0.287 456 N C 0.015 175.450 175.510 -0.125 0.000 1.097 456 N CA 0.005 52.992 53.050 -0.105 0.000 0.973 456 N CB 2.034 40.468 38.487 -0.087 0.000 1.153 456 N HN 0.794 nan 8.380 nan 0.000 0.472 457 T N -2.493 111.951 114.554 -0.183 0.000 2.888 457 T HA 0.475 4.825 4.350 0.001 0.000 0.288 457 T C 0.751 175.292 174.700 -0.266 0.000 1.063 457 T CA -0.622 61.364 62.100 -0.189 0.000 1.010 457 T CB 0.424 69.273 68.868 -0.032 0.000 1.214 457 T HN 0.171 nan 8.240 nan 0.000 0.533 458 F N 0.483 120.451 119.950 0.029 0.000 2.502 458 F HA 0.109 4.637 4.527 0.001 0.000 0.298 458 F C 1.911 177.709 175.800 -0.002 0.000 1.111 458 F CA 0.457 58.462 58.000 0.008 0.000 1.445 458 F CB -0.459 38.546 39.000 0.008 0.000 1.081 458 F HN 0.505 nan 8.300 nan 0.000 0.558 459 D N -0.073 120.401 120.400 0.123 0.000 2.162 459 D HA -0.062 4.579 4.640 0.001 0.000 0.203 459 D C 0.334 176.643 176.300 0.015 0.000 0.967 459 D CA 1.093 55.130 54.000 0.062 0.000 0.840 459 D CB -0.084 40.741 40.800 0.042 0.000 0.972 459 D HN 0.313 nan 8.370 nan 0.000 0.482 460 E N -0.078 120.108 120.200 -0.023 0.000 2.923 460 E HA 0.129 4.479 4.350 0.001 0.000 0.266 460 E C -2.088 174.468 176.600 -0.074 0.000 1.157 460 E CA -1.073 55.299 56.400 -0.046 0.000 0.795 460 E CB 2.277 31.939 29.700 -0.065 0.000 1.454 460 E HN 0.033 nan 8.360 nan 0.000 0.386 461 P HA -0.031 nan 4.420 nan 0.000 0.245 461 P C 0.022 177.295 177.300 -0.044 0.000 1.212 461 P CA 0.624 63.671 63.100 -0.089 0.000 0.774 461 P CB 0.402 32.061 31.700 -0.068 0.000 0.999 462 E N -0.697 119.486 120.200 -0.027 0.000 2.887 462 E HA 0.165 4.516 4.350 0.001 0.000 0.206 462 E C 1.431 178.021 176.600 -0.016 0.000 0.983 462 E CA -0.268 56.130 56.400 -0.003 0.000 1.141 462 E CB 0.287 29.986 29.700 -0.002 0.000 1.061 462 E HN 0.014 nan 8.360 nan 0.000 0.468 463 R N 0.594 121.072 120.500 -0.037 0.000 2.120 463 R HA -0.029 4.311 4.340 0.001 0.000 0.234 463 R C 0.397 176.682 176.300 -0.025 0.000 1.123 463 R CA 0.997 57.067 56.100 -0.051 0.000 0.975 463 R CB 0.395 30.631 30.300 -0.107 0.000 0.866 463 R HN -0.085 nan 8.270 nan 0.000 0.446 464 V N 1.979 121.896 119.914 0.006 0.000 2.409 464 V HA 0.326 4.446 4.120 0.001 0.000 0.290 464 V C -1.060 175.058 176.094 0.039 0.000 1.017 464 V CA -0.753 61.570 62.300 0.038 0.000 0.841 464 V CB 1.446 33.316 31.823 0.079 0.000 1.003 464 V HN 0.324 nan 8.190 nan 0.000 0.426 465 K N 4.130 124.482 120.400 -0.079 0.000 2.597 465 K HA 0.699 5.019 4.320 0.001 0.000 0.282 465 K C -3.401 173.053 176.600 -0.244 0.000 0.975 465 K CA -1.886 54.181 56.287 -0.367 0.000 0.867 465 K CB 1.903 34.219 32.500 -0.306 0.000 1.465 465 K HN 0.258 nan 8.250 nan 0.000 0.417 466 P HA 0.194 nan 4.420 nan 0.000 0.269 466 P C -1.242 176.041 177.300 -0.028 0.000 1.209 466 P CA -0.197 62.849 63.100 -0.090 0.000 0.776 466 P CB 0.912 32.581 31.700 -0.051 0.000 0.876 467 A N 3.252 126.094 122.820 0.037 0.000 2.556 467 A HA 0.708 5.028 4.320 0.001 0.000 0.294 467 A C -2.884 174.771 177.584 0.117 0.000 1.091 467 A CA -1.872 50.202 52.037 0.063 0.000 0.704 467 A CB 0.668 19.706 19.000 0.063 0.000 1.300 467 A HN 0.278 nan 8.150 nan 0.000 0.406 468 P HA 0.287 nan 4.420 nan 0.000 0.268 468 P C -1.127 176.309 177.300 0.228 0.000 1.204 468 P CA 0.500 63.690 63.100 0.150 0.000 0.768 468 P CB 0.089 31.845 31.700 0.093 0.000 0.842 469 F N 4.261 124.287 119.950 0.127 0.000 2.426 469 F HA 0.431 4.958 4.527 0.001 0.000 0.348 469 F C 0.850 176.811 175.800 0.268 0.000 1.124 469 F CA -0.439 57.663 58.000 0.170 0.000 1.008 469 F CB 1.298 40.398 39.000 0.167 0.000 1.139 469 F HN 0.204 nan 8.300 nan 0.000 0.452 470 R N 2.395 122.618 120.500 -0.462 0.000 2.541 470 R HA 0.057 4.397 4.340 0.001 0.000 0.332 470 R C -0.291 175.604 176.300 -0.674 0.000 0.951 470 R CA -0.089 55.746 56.100 -0.440 0.000 1.136 470 R CB 0.275 30.422 30.300 -0.256 0.000 1.449 470 R HN 0.466 nan 8.270 nan 0.000 0.531 471 D N 1.528 121.370 120.400 -0.930 0.000 3.032 471 D HA 0.031 4.672 4.640 0.001 0.000 0.241 471 D C -0.833 175.324 176.300 -0.238 0.000 1.196 471 D CA 0.071 53.761 54.000 -0.516 0.000 0.927 471 D CB -0.328 40.309 40.800 -0.272 0.000 1.129 471 D HN 0.086 nan 8.370 nan 0.000 0.458 472 F N -1.501 118.274 119.950 -0.291 0.000 2.662 472 F HA 0.703 5.231 4.527 0.001 0.000 0.312 472 F C -1.184 174.594 175.800 -0.038 0.000 1.113 472 F CA -1.449 56.513 58.000 -0.062 0.000 0.951 472 F CB 1.210 40.249 39.000 0.064 0.000 1.344 472 F HN -0.370 nan 8.300 nan 0.000 0.462 473 K N 1.757 122.273 120.400 0.194 0.000 2.471 473 K HA 0.624 4.944 4.320 0.001 0.000 0.252 473 K C -2.016 174.718 176.600 0.223 0.000 0.938 473 K CA -0.643 55.691 56.287 0.079 0.000 0.796 473 K CB 1.814 34.335 32.500 0.035 0.000 1.161 473 K HN 0.799 nan 8.250 nan 0.000 0.425 474 L N 3.718 125.056 121.223 0.192 0.000 2.504 474 L HA 0.460 4.800 4.340 0.001 0.000 0.249 474 L C -0.872 176.066 176.870 0.112 0.000 1.120 474 L CA -0.196 54.758 54.840 0.190 0.000 0.997 474 L CB 0.560 42.756 42.059 0.228 0.000 1.349 474 L HN 0.620 nan 8.230 nan 0.000 0.439 475 E N 2.801 123.064 120.200 0.106 0.000 1.893 475 E HA 0.521 4.871 4.350 0.001 0.000 0.269 475 E C 1.042 177.697 176.600 0.091 0.000 1.129 475 E CA 0.849 57.293 56.400 0.074 0.000 0.904 475 E CB -0.021 29.710 29.700 0.052 0.000 1.077 475 E HN 0.801 nan 8.360 nan 0.000 0.407 476 G N 3.095 111.939 108.800 0.074 0.000 2.687 476 G HA2 -0.369 3.591 3.960 0.001 0.000 0.303 476 G HA3 -0.369 3.591 3.960 0.001 0.000 0.303 476 G C 0.946 175.898 174.900 0.088 0.000 1.209 476 G CA -0.031 45.114 45.100 0.075 0.000 0.968 476 G HN 0.731 nan 8.290 nan 0.000 0.549 477 G N -0.246 108.635 108.800 0.136 0.000 3.126 477 G HA2 0.460 4.420 3.960 0.001 0.000 0.224 477 G HA3 0.460 4.420 3.960 0.001 0.000 0.224 477 G C 0.267 175.176 174.900 0.015 0.000 1.142 477 G CA 0.801 45.945 45.100 0.074 0.000 0.759 477 G HN 0.812 nan 8.290 nan 0.000 0.550 478 H N -0.351 118.733 119.070 0.023 0.000 2.504 478 H HA 0.513 5.069 4.556 0.001 0.000 0.322 478 H C -0.796 174.563 175.328 0.052 0.000 1.055 478 H CA -0.544 55.523 56.048 0.031 0.000 1.231 478 H CB 2.161 31.943 29.762 0.034 0.000 1.417 478 H HN 0.022 nan 8.280 nan 0.000 0.472 479 L N 3.997 125.289 121.223 0.114 0.000 2.294 479 L HA 0.397 4.737 4.340 0.001 0.000 0.283 479 L C -0.811 176.147 176.870 0.146 0.000 1.015 479 L CA -0.586 54.333 54.840 0.132 0.000 0.831 479 L CB 0.237 42.329 42.059 0.055 0.000 1.217 479 L HN 0.632 nan 8.230 nan 0.000 0.420 480 N N 4.340 123.154 118.700 0.191 0.000 2.424 480 N HA 0.614 5.355 4.740 0.001 0.000 0.271 480 N C -0.903 174.745 175.510 0.230 0.000 0.985 480 N CA -0.233 52.922 53.050 0.176 0.000 0.921 480 N CB 2.174 40.748 38.487 0.145 0.000 1.149 480 N HN 0.621 nan 8.380 nan 0.000 0.492 481 A N 1.260 124.215 122.820 0.225 0.000 2.386 481 A HA 0.629 4.950 4.320 0.001 0.000 0.311 481 A C -0.478 177.275 177.584 0.282 0.000 1.068 481 A CA -0.624 51.611 52.037 0.329 0.000 0.743 481 A CB 1.023 20.228 19.000 0.343 0.000 1.258 481 A HN 0.443 nan 8.150 nan 0.000 0.429 482 S N 2.064 117.974 115.700 0.350 0.000 2.528 482 S HA 0.410 4.880 4.470 0.001 0.000 0.303 482 S C -0.261 174.559 174.600 0.367 0.000 1.123 482 S CA -0.343 58.022 58.200 0.275 0.000 1.138 482 S CB -0.202 63.114 63.200 0.193 0.000 0.984 482 S HN 0.535 nan 8.310 nan 0.000 0.474 483 L N 4.134 125.496 121.223 0.232 0.000 2.416 483 L HA 0.316 4.656 4.340 0.001 0.000 0.272 483 L C -2.205 174.754 176.870 0.148 0.000 1.161 483 L CA -1.991 52.927 54.840 0.130 0.000 0.845 483 L CB -0.097 41.982 42.059 0.034 0.000 1.119 483 L HN 0.238 nan 8.230 nan 0.000 0.464 484 P HA 0.125 nan 4.420 nan 0.000 0.270 484 P C -2.472 174.892 177.300 0.107 0.000 1.223 484 P CA -1.091 62.092 63.100 0.138 0.000 0.785 484 P CB -0.154 31.631 31.700 0.143 0.000 0.923 485 P HA 0.011 nan 4.420 nan 0.000 0.268 485 P C 0.106 177.477 177.300 0.119 0.000 1.208 485 P CA 0.321 63.473 63.100 0.087 0.000 0.777 485 P CB -0.292 31.441 31.700 0.055 0.000 0.875 486 M N -0.664 119.039 119.600 0.170 0.000 3.051 486 M HA -0.198 4.282 4.480 0.001 0.000 0.169 486 M C -0.973 175.459 176.300 0.221 0.000 1.287 486 M CA 0.782 56.247 55.300 0.276 0.000 0.779 486 M CB -2.437 30.311 32.600 0.246 0.000 1.235 486 M HN 0.319 nan 8.290 nan 0.000 0.707 487 S N 0.303 116.112 115.700 0.182 0.000 2.588 487 S HA 0.935 5.405 4.470 0.001 0.000 0.275 487 S C -0.536 174.123 174.600 0.098 0.000 1.130 487 S CA -0.865 57.407 58.200 0.120 0.000 0.855 487 S CB 2.863 66.106 63.200 0.072 0.000 1.116 487 S HN 0.566 nan 8.310 nan 0.000 0.472 488 V N 1.689 121.650 119.914 0.079 0.000 2.487 488 V HA 0.718 4.839 4.120 0.001 0.000 0.298 488 V C -0.498 175.644 176.094 0.080 0.000 1.028 488 V CA -0.281 62.076 62.300 0.095 0.000 0.860 488 V CB 1.687 33.552 31.823 0.070 0.000 0.991 488 V HN 1.082 nan 8.190 nan 0.000 0.427 489 T N 3.887 118.483 114.554 0.069 0.000 2.886 489 T HA 0.642 4.992 4.350 0.001 0.000 0.292 489 T C -0.742 173.977 174.700 0.031 0.000 1.012 489 T CA -0.474 61.597 62.100 -0.049 0.000 0.982 489 T CB 1.963 70.632 68.868 -0.331 0.000 1.018 489 T HN 0.327 nan 8.240 nan 0.000 0.451 490 V N 4.264 124.197 119.914 0.032 0.000 2.448 490 V HA 0.513 4.634 4.120 0.001 0.000 0.295 490 V C -0.521 175.574 176.094 0.002 0.000 1.025 490 V CA -0.826 61.489 62.300 0.026 0.000 0.859 490 V CB 1.464 33.317 31.823 0.050 0.000 0.988 490 V HN 0.706 nan 8.190 nan 0.000 0.431 491 L N 4.096 125.296 121.223 -0.038 0.000 2.307 491 L HA 0.620 4.961 4.340 0.001 0.000 0.284 491 L C 0.003 176.833 176.870 -0.066 0.000 1.023 491 L CA -0.337 54.453 54.840 -0.083 0.000 0.810 491 L CB 1.860 43.806 42.059 -0.188 0.000 1.231 491 L HN 0.657 nan 8.230 nan 0.000 0.423 492 E N 3.896 124.059 120.200 -0.062 0.000 2.133 492 E HA 0.498 4.848 4.350 0.001 0.000 0.274 492 E C -1.392 175.112 176.600 -0.159 0.000 0.930 492 E CA -0.607 55.703 56.400 -0.150 0.000 0.770 492 E CB 1.299 30.972 29.700 -0.044 0.000 1.104 492 E HN 0.490 nan 8.360 nan 0.000 0.403 493 L N 3.688 124.776 121.223 -0.225 0.000 2.295 493 L HA 0.473 4.813 4.340 0.001 0.000 0.285 493 L C -0.288 176.497 176.870 -0.142 0.000 1.035 493 L CA -0.597 54.155 54.840 -0.147 0.000 0.806 493 L CB 1.900 43.876 42.059 -0.138 0.000 1.214 493 L HN 0.553 nan 8.230 nan 0.000 0.426 494 T N 1.407 115.914 114.554 -0.078 0.000 2.841 494 T HA 0.505 4.856 4.350 0.001 0.000 0.283 494 T C 0.053 174.729 174.700 -0.040 0.000 1.000 494 T CA -0.586 61.478 62.100 -0.061 0.000 0.977 494 T CB 1.883 70.729 68.868 -0.037 0.000 0.979 494 T HN 0.671 nan 8.240 nan 0.000 0.446 495 A N 2.153 124.950 122.820 -0.038 0.000 2.580 495 A HA 0.535 4.855 4.320 0.001 0.000 0.244 495 A C 1.165 178.740 177.584 -0.015 0.000 1.045 495 A CA 0.879 52.900 52.037 -0.027 0.000 0.761 495 A CB -1.159 17.827 19.000 -0.024 0.000 0.962 495 A HN 1.782 nan 8.150 nan 0.000 0.512 496 G N 0.000 108.794 108.800 -0.010 0.000 5.446 496 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 496 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 496 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 496 G HN 0.000 nan 8.290 nan 0.000 0.925