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 2gjr_1_A DATA FIRST_RESID 5 DATA SEQUENCE TNGTMMQYFE WHLPNDGQHW NRLRDDASNL RNRGITAIWI PPAWKGTSQN DATA SEQUENCE DVGYGAYDLY DLGEFNQKGT VRTKYGTRSQ LESAIHALKN NGVQVYGDVV DATA SEQUENCE MNHKGGADAT ENVLAVEVNP NNRNQEISGD YTIEAWTKFD FPGRGNTYSD DATA SEQUENCE FKWRWYHFDG VDWDQSRQFQ NRIYKFRGDG KAWDWEVDSE NGNYDYLMYA DATA SEQUENCE DVDMDHPEVV NELRRWGEWY TNTLNLDGFR IDAVKHIKYS FTRDWLTHVR DATA SEQUENCE NATGKEMFAV AEFWKNDLGA LENYLNKTNW NHSVFDVPLH YNLYNASNSG DATA SEQUENCE GNYDMAKLLN GTVVQKHPMH AVTFVDNHDS QPGESLESFV QEWFKPLAYA DATA SEQUENCE LILTREQGYP SVFYGDYYGI PTHSVPAMKA KIDPILEARQ NFAYGTQHDY DATA SEQUENCE FDHHNIIGWT REGNTTHPNS GLATIMSDGP GGEKWMYVGQ NKAGQVWHDI DATA SEQUENCE TGNKPGTVTI NADGWANFSV NGGSVSIWVK R 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.812 174.700 0.187 0.000 1.109 5 T CA 0.000 62.242 62.100 0.237 0.000 1.349 5 T CB 0.000 68.957 68.868 0.149 0.000 0.612 6 N N 0.581 119.371 118.700 0.149 0.000 2.513 6 N HA 0.429 5.125 4.740 -0.074 0.000 0.268 6 N C 0.499 176.009 175.510 -0.001 0.000 1.180 6 N CA 0.078 53.122 53.050 -0.010 0.000 0.948 6 N CB 0.948 39.331 38.487 -0.172 0.000 1.083 6 N HN 0.962 nan 8.380 nan 0.000 0.455 7 G N 0.696 109.468 108.800 -0.046 0.000 2.380 7 G HA2 0.370 4.285 3.960 -0.074 0.000 0.262 7 G HA3 0.370 4.285 3.960 -0.074 0.000 0.262 7 G C -0.500 174.501 174.900 0.168 0.000 1.243 7 G CA -0.091 44.995 45.100 -0.024 0.000 0.865 7 G HN 0.399 nan 8.290 nan 0.000 0.513 8 T N 2.577 117.258 114.554 0.212 0.000 2.928 8 T HA 0.470 4.776 4.350 -0.074 0.000 0.296 8 T C 0.004 174.815 174.700 0.186 0.000 1.000 8 T CA -0.486 61.751 62.100 0.229 0.000 0.989 8 T CB 1.610 70.547 68.868 0.115 0.000 1.005 8 T HN 0.725 nan 8.240 nan 0.000 0.442 9 M N 3.889 123.570 119.600 0.135 0.000 2.528 9 M HA 0.802 5.238 4.480 -0.074 0.000 0.318 9 M C -1.135 175.256 176.300 0.151 0.000 1.195 9 M CA -0.774 54.570 55.300 0.074 0.000 1.000 9 M CB 1.806 34.357 32.600 -0.081 0.000 1.615 9 M HN 0.721 nan 8.290 nan 0.000 0.469 10 M N 3.270 122.985 119.600 0.193 0.000 2.263 10 M HA 0.311 4.747 4.480 -0.074 0.000 0.295 10 M C -1.279 175.234 176.300 0.354 0.000 1.028 10 M CA -0.465 54.984 55.300 0.248 0.000 0.921 10 M CB 2.247 34.952 32.600 0.175 0.000 1.601 10 M HN 0.879 nan 8.290 nan 0.000 0.440 11 Q N 3.390 123.389 119.800 0.332 0.000 2.324 11 Q HA 0.029 4.324 4.340 -0.074 0.000 0.257 11 Q C -1.596 174.477 176.000 0.121 0.000 1.080 11 Q CA 0.126 55.946 55.803 0.029 0.000 0.907 11 Q CB 0.383 28.951 28.738 -0.283 0.000 1.274 11 Q HN 0.775 nan 8.270 nan 0.000 0.434 12 Y N 7.388 127.763 120.300 0.126 0.000 2.880 12 Y HA 0.236 4.742 4.550 -0.074 0.000 0.386 12 Y C -1.413 174.662 175.900 0.291 0.000 1.172 12 Y CA -0.576 57.726 58.100 0.336 0.000 1.770 12 Y CB -0.140 38.495 38.460 0.293 0.000 1.809 12 Y HN 0.556 nan 8.280 nan 0.000 0.472 13 F N -0.934 118.811 119.950 -0.342 0.000 2.799 13 F HA 0.584 5.068 4.527 -0.073 0.000 0.316 13 F C -1.766 173.833 175.800 -0.335 0.000 1.155 13 F CA -1.703 55.896 58.000 -0.668 0.000 0.916 13 F CB 0.715 39.345 39.000 -0.617 0.000 1.294 13 F HN 0.015 nan 8.300 nan 0.000 0.447 14 E N 0.600 120.622 120.200 -0.297 0.000 2.445 14 E HA 0.271 4.577 4.350 -0.074 0.000 0.273 14 E C -0.272 176.398 176.600 0.115 0.000 0.961 14 E CA -0.958 55.449 56.400 0.013 0.000 0.807 14 E CB 1.344 31.049 29.700 0.009 0.000 1.362 14 E HN 0.788 nan 8.360 nan 0.000 0.453 15 W N 0.628 121.941 121.300 0.022 0.000 2.342 15 W HA -0.124 4.492 4.660 -0.073 0.000 0.297 15 W C 0.177 176.550 176.519 -0.244 0.000 1.213 15 W CA 1.428 58.696 57.345 -0.129 0.000 1.251 15 W CB 0.170 29.429 29.460 -0.334 0.000 1.136 15 W HN 0.624 nan 8.180 nan 0.000 0.526 16 H N 0.412 119.586 119.070 0.173 0.000 2.550 16 H HA 0.234 4.745 4.556 -0.074 0.000 0.304 16 H C 0.525 175.841 175.328 -0.020 0.000 1.086 16 H CA -0.048 56.056 56.048 0.093 0.000 1.089 16 H CB -0.613 29.271 29.762 0.203 0.000 1.528 16 H HN -0.044 nan 8.280 nan 0.000 0.539 17 L N 2.954 124.145 121.223 -0.054 0.000 2.506 17 L HA 0.026 4.322 4.340 -0.074 0.000 0.281 17 L C -1.509 175.288 176.870 -0.121 0.000 1.228 17 L CA -1.398 53.354 54.840 -0.146 0.000 0.850 17 L CB 0.153 42.000 42.059 -0.353 0.000 1.110 17 L HN 0.065 nan 8.230 nan 0.000 0.496 18 P HA -0.028 nan 4.420 nan 0.000 0.269 18 P C -0.916 176.289 177.300 -0.157 0.000 1.209 18 P CA -0.259 62.787 63.100 -0.090 0.000 0.776 18 P CB 0.432 32.098 31.700 -0.057 0.000 0.876 19 N N 2.217 120.823 118.700 -0.155 0.000 2.968 19 N HA 0.004 4.699 4.740 -0.074 0.000 0.271 19 N C 0.005 175.423 175.510 -0.153 0.000 1.174 19 N CA -0.164 52.762 53.050 -0.206 0.000 1.096 19 N CB -0.620 37.751 38.487 -0.194 0.000 1.403 19 N HN 0.254 nan 8.380 nan 0.000 0.522 20 D N 0.662 120.977 120.400 -0.141 0.000 2.469 20 D HA 0.164 4.760 4.640 -0.074 0.000 0.213 20 D C 1.109 177.360 176.300 -0.083 0.000 1.135 20 D CA 0.164 54.111 54.000 -0.089 0.000 0.834 20 D CB -0.457 40.310 40.800 -0.055 0.000 1.009 20 D HN 0.335 nan 8.370 nan 0.000 0.507 21 G N 0.989 109.712 108.800 -0.128 0.000 2.168 21 G HA2 -0.366 3.549 3.960 -0.074 0.000 0.257 21 G HA3 -0.366 3.549 3.960 -0.074 0.000 0.257 21 G C 0.810 175.681 174.900 -0.049 0.000 0.997 21 G CA 0.710 45.746 45.100 -0.106 0.000 0.708 21 G HN 0.424 nan 8.290 nan 0.000 0.520 22 Q N -1.143 118.638 119.800 -0.031 0.000 2.194 22 Q HA 0.338 4.634 4.340 -0.074 0.000 0.214 22 Q C 1.488 177.525 176.000 0.062 0.000 0.838 22 Q CA 0.412 56.229 55.803 0.023 0.000 0.972 22 Q CB -0.027 28.725 28.738 0.023 0.000 1.131 22 Q HN 0.684 nan 8.270 nan 0.000 0.498 23 H N -1.560 117.443 119.070 -0.111 0.000 2.395 23 H HA -0.029 4.483 4.556 -0.074 0.000 0.299 23 H C 0.846 176.195 175.328 0.034 0.000 1.070 23 H CA 1.722 57.712 56.048 -0.098 0.000 1.356 23 H CB 0.075 29.705 29.762 -0.220 0.000 1.401 23 H HN 0.360 nan 8.280 nan 0.000 0.524 24 W N 0.498 121.840 121.300 0.070 0.000 2.363 24 W HA -0.175 4.440 4.660 -0.074 0.000 0.296 24 W C 2.015 178.498 176.519 -0.060 0.000 1.212 24 W CA 0.363 57.690 57.345 -0.030 0.000 1.260 24 W CB -0.115 29.352 29.460 0.012 0.000 1.131 24 W HN 0.208 nan 8.180 nan 0.000 0.530 25 N N 0.472 119.288 118.700 0.193 0.000 2.058 25 N HA -0.133 4.562 4.740 -0.074 0.000 0.191 25 N C 1.582 177.123 175.510 0.053 0.000 1.037 25 N CA 1.389 54.499 53.050 0.100 0.000 0.848 25 N CB -0.735 37.800 38.487 0.079 0.000 1.021 25 N HN 0.112 nan 8.380 nan 0.000 0.422 26 R N 0.098 120.623 120.500 0.042 0.000 2.096 26 R HA -0.148 4.148 4.340 -0.074 0.000 0.240 26 R C 1.989 178.310 176.300 0.034 0.000 1.139 26 R CA 1.070 57.197 56.100 0.046 0.000 0.952 26 R CB -0.684 29.660 30.300 0.074 0.000 0.854 26 R HN 0.189 nan 8.270 nan 0.000 0.436 27 L N 1.391 122.581 121.223 -0.055 0.000 2.017 27 L HA -0.189 4.107 4.340 -0.074 0.000 0.208 27 L C 2.486 179.251 176.870 -0.174 0.000 1.073 27 L CA 1.829 56.490 54.840 -0.299 0.000 0.745 27 L CB -0.628 41.261 42.059 -0.284 0.000 0.894 27 L HN 0.046 nan 8.230 nan 0.000 0.432 28 R N -0.463 120.001 120.500 -0.060 0.000 2.083 28 R HA -0.191 4.105 4.340 -0.074 0.000 0.237 28 R C 1.614 177.897 176.300 -0.029 0.000 1.137 28 R CA 2.146 58.223 56.100 -0.038 0.000 0.951 28 R CB -0.582 29.722 30.300 0.007 0.000 0.851 28 R HN 0.395 nan 8.270 nan 0.000 0.434 29 D N -0.238 120.159 120.400 -0.006 0.000 2.371 29 D HA -0.082 4.514 4.640 -0.074 0.000 0.221 29 D C 0.600 176.910 176.300 0.017 0.000 0.986 29 D CA 0.824 54.829 54.000 0.008 0.000 0.899 29 D CB 0.021 40.832 40.800 0.019 0.000 0.902 29 D HN 0.327 nan 8.370 nan 0.000 0.530 30 D N -0.625 119.778 120.400 0.006 0.000 2.407 30 D HA 0.189 4.785 4.640 -0.074 0.000 0.208 30 D C 1.875 178.176 176.300 0.001 0.000 1.083 30 D CA 0.119 54.148 54.000 0.049 0.000 0.844 30 D CB 0.386 41.269 40.800 0.139 0.000 0.967 30 D HN -0.020 nan 8.370 nan 0.000 0.506 31 A N -0.146 122.641 122.820 -0.056 0.000 1.883 31 A HA -0.161 4.115 4.320 -0.074 0.000 0.217 31 A C 2.331 179.890 177.584 -0.042 0.000 1.186 31 A CA 1.911 53.902 52.037 -0.078 0.000 0.624 31 A CB -0.550 18.394 19.000 -0.093 0.000 0.822 31 A HN 0.204 nan 8.150 nan 0.000 0.444 32 S N -0.323 115.364 115.700 -0.022 0.000 2.345 32 S HA -0.173 4.253 4.470 -0.074 0.000 0.220 32 S C 2.063 176.666 174.600 0.005 0.000 1.031 32 S CA 1.140 59.333 58.200 -0.012 0.000 0.996 32 S CB -0.558 62.639 63.200 -0.005 0.000 0.882 32 S HN 0.818 nan 8.310 nan 0.000 0.445 33 N N 1.215 119.932 118.700 0.028 0.000 2.104 33 N HA -0.112 4.584 4.740 -0.074 0.000 0.190 33 N C 1.829 177.370 175.510 0.051 0.000 1.024 33 N CA 1.058 54.139 53.050 0.052 0.000 0.853 33 N CB -0.212 38.327 38.487 0.087 0.000 1.008 33 N HN 0.333 nan 8.380 nan 0.000 0.424 34 L N 0.512 121.762 121.223 0.045 0.000 2.046 34 L HA -0.134 4.162 4.340 -0.074 0.000 0.208 34 L C 2.842 179.706 176.870 -0.010 0.000 1.077 34 L CA 0.993 55.844 54.840 0.018 0.000 0.747 34 L CB -0.404 41.663 42.059 0.013 0.000 0.896 34 L HN 0.224 nan 8.230 nan 0.000 0.432 35 R N 0.877 121.367 120.500 -0.017 0.000 2.075 35 R HA -0.136 4.160 4.340 -0.074 0.000 0.232 35 R C 1.791 178.086 176.300 -0.008 0.000 1.126 35 R CA 1.769 57.855 56.100 -0.022 0.000 0.963 35 R CB -0.591 29.688 30.300 -0.034 0.000 0.858 35 R HN 0.414 nan 8.270 nan 0.000 0.435 36 N N -0.307 118.393 118.700 0.000 0.000 2.289 36 N HA -0.109 4.587 4.740 -0.074 0.000 0.184 36 N C 0.969 176.488 175.510 0.015 0.000 1.016 36 N CA 0.866 53.921 53.050 0.008 0.000 0.872 36 N CB -0.017 38.478 38.487 0.013 0.000 0.973 36 N HN 0.172 nan 8.380 nan 0.000 0.433 37 R N -0.054 120.456 120.500 0.016 0.000 2.356 37 R HA 0.123 4.418 4.340 -0.074 0.000 0.234 37 R C 0.774 177.078 176.300 0.006 0.000 0.929 37 R CA 0.328 56.439 56.100 0.018 0.000 1.084 37 R CB 0.556 30.872 30.300 0.026 0.000 1.105 37 R HN 0.215 nan 8.270 nan 0.000 0.515 38 G N 1.015 109.819 108.800 0.006 0.000 2.175 38 G HA2 -0.209 3.707 3.960 -0.074 0.000 0.244 38 G HA3 -0.209 3.707 3.960 -0.074 0.000 0.244 38 G C 0.128 175.032 174.900 0.006 0.000 0.982 38 G CA -0.535 44.572 45.100 0.012 0.000 0.641 38 G HN 0.150 nan 8.290 nan 0.000 0.527 39 I N 2.698 123.260 120.570 -0.014 0.000 2.505 39 I HA 0.239 4.365 4.170 -0.074 0.000 0.287 39 I C 1.806 177.912 176.117 -0.018 0.000 1.104 39 I CA 1.337 62.628 61.300 -0.016 0.000 1.387 39 I CB 0.470 38.446 38.000 -0.040 0.000 1.404 39 I HN 0.327 nan 8.210 nan 0.000 0.528 40 T N 2.004 116.555 114.554 -0.004 0.000 3.010 40 T HA 0.524 4.830 4.350 -0.074 0.000 0.257 40 T C 0.462 175.110 174.700 -0.088 0.000 1.020 40 T CA -0.071 62.011 62.100 -0.031 0.000 0.938 40 T CB 0.523 69.387 68.868 -0.007 0.000 1.049 40 T HN 0.618 nan 8.240 nan 0.000 0.522 41 A N 1.332 124.086 122.820 -0.110 0.000 2.459 41 A HA 0.692 4.968 4.320 -0.074 0.000 0.296 41 A C -1.211 176.239 177.584 -0.223 0.000 1.039 41 A CA -0.808 51.035 52.037 -0.325 0.000 0.698 41 A CB 1.161 19.817 19.000 -0.574 0.000 1.261 41 A HN 0.307 nan 8.150 nan 0.000 0.405 42 I N 2.362 122.799 120.570 -0.222 0.000 2.355 42 I HA 0.216 4.341 4.170 -0.074 0.000 0.288 42 I C -0.758 175.469 176.117 0.183 0.000 0.999 42 I CA -0.276 61.031 61.300 0.012 0.000 1.163 42 I CB 1.323 39.310 38.000 -0.020 0.000 1.316 42 I HN 0.895 nan 8.210 nan 0.000 0.454 43 W N 10.347 131.785 121.300 0.230 0.000 2.437 43 W HA 0.493 5.108 4.660 -0.075 0.000 0.312 43 W C -0.406 176.372 176.519 0.432 0.000 1.242 43 W CA -1.375 56.222 57.345 0.421 0.000 1.340 43 W CB 0.070 29.864 29.460 0.556 0.000 1.327 43 W HN 0.391 nan 8.180 nan 0.000 0.476 44 I N 6.406 127.292 120.570 0.527 0.000 2.577 44 I HA 0.576 4.702 4.170 -0.074 0.000 0.300 44 I C -1.762 174.341 176.117 -0.023 0.000 0.990 44 I CA -2.671 58.785 61.300 0.260 0.000 1.283 44 I CB 0.747 38.879 38.000 0.220 0.000 1.411 44 I HN 0.228 nan 8.210 nan 0.000 0.515 45 P HA 0.162 nan 4.420 nan 0.000 0.271 45 P C -2.568 174.259 177.300 -0.789 0.000 1.233 45 P CA -1.135 60.970 63.100 -1.658 0.000 0.789 45 P CB -0.783 29.527 31.700 -2.316 0.000 0.951 46 P HA -0.085 nan 4.420 nan 0.000 0.261 46 P C 0.322 177.094 177.300 -0.881 0.000 1.165 46 P CA 0.907 63.254 63.100 -1.254 0.000 0.759 46 P CB -0.112 30.762 31.700 -1.376 0.000 0.772 47 A N 3.209 125.542 122.820 -0.811 0.000 2.303 47 A HA 0.167 4.443 4.320 -0.074 0.000 0.217 47 A C 0.178 177.848 177.584 0.143 0.000 1.205 47 A CA -0.096 51.971 52.037 0.050 0.000 0.875 47 A CB -0.468 18.684 19.000 0.254 0.000 0.910 47 A HN 0.667 nan 8.150 nan 0.000 0.501 48 W N -0.996 120.453 121.300 0.249 0.000 2.492 48 W HA 0.730 5.345 4.660 -0.075 0.000 0.373 48 W C -0.039 176.570 176.519 0.151 0.000 1.323 48 W CA -1.817 55.645 57.345 0.196 0.000 1.406 48 W CB 0.237 29.743 29.460 0.076 0.000 1.398 48 W HN -0.165 nan 8.180 nan 0.000 0.671 49 K N 1.232 121.910 120.400 0.464 0.000 2.383 49 K HA 0.401 4.677 4.320 -0.074 0.000 0.286 49 K C 0.328 177.149 176.600 0.368 0.000 1.051 49 K CA 0.319 56.817 56.287 0.351 0.000 0.974 49 K CB 0.362 33.117 32.500 0.425 0.000 0.968 49 K HN 0.693 nan 8.250 nan 0.000 0.475 50 G N 1.179 110.083 108.800 0.173 0.000 2.510 50 G HA2 0.044 3.960 3.960 -0.074 0.000 0.280 50 G HA3 0.044 3.960 3.960 -0.074 0.000 0.280 50 G C 0.626 175.579 174.900 0.087 0.000 1.386 50 G CA 0.055 45.230 45.100 0.125 0.000 1.047 50 G HN 0.717 nan 8.290 nan 0.000 0.527 51 T N -2.936 111.617 114.554 -0.001 0.000 3.035 51 T HA 0.190 4.495 4.350 -0.074 0.000 0.268 51 T C 1.009 175.633 174.700 -0.127 0.000 1.109 51 T CA 1.149 63.197 62.100 -0.088 0.000 1.119 51 T CB -0.407 68.400 68.868 -0.102 0.000 0.900 51 T HN 1.210 nan 8.240 nan 0.000 0.503 52 S N -1.185 114.459 115.700 -0.094 0.000 2.661 52 S HA 0.345 4.770 4.470 -0.074 0.000 0.268 52 S C 0.549 175.083 174.600 -0.110 0.000 1.162 52 S CA -0.679 57.458 58.200 -0.105 0.000 0.817 52 S CB 1.499 64.638 63.200 -0.101 0.000 1.141 52 S HN 0.074 nan 8.310 nan 0.000 0.477 53 Q N 0.734 120.465 119.800 -0.114 0.000 2.167 53 Q HA -0.167 4.129 4.340 -0.074 0.000 0.202 53 Q C 1.417 177.287 176.000 -0.217 0.000 0.970 53 Q CA 2.242 57.958 55.803 -0.145 0.000 0.855 53 Q CB -0.366 28.302 28.738 -0.115 0.000 0.911 53 Q HN 0.793 nan 8.270 nan 0.000 0.438 54 N N 0.053 118.640 118.700 -0.187 0.000 2.412 54 N HA -0.097 4.599 4.740 -0.074 0.000 0.184 54 N C -0.142 175.209 175.510 -0.266 0.000 1.101 54 N CA 0.226 53.141 53.050 -0.225 0.000 0.881 54 N CB -0.082 38.313 38.487 -0.153 0.000 0.969 54 N HN 0.064 nan 8.380 nan 0.000 0.459 55 D N 0.425 120.691 120.400 -0.224 0.000 2.493 55 D HA -0.051 4.544 4.640 -0.074 0.000 0.240 55 D C 1.102 177.182 176.300 -0.367 0.000 1.142 55 D CA 0.007 53.882 54.000 -0.209 0.000 0.872 55 D CB 1.427 42.161 40.800 -0.108 0.000 1.173 55 D HN -0.084 nan 8.370 nan 0.000 0.467 56 V N 3.675 123.317 119.914 -0.454 0.000 2.867 56 V HA -0.034 4.042 4.120 -0.074 0.000 0.260 56 V C 1.926 177.742 176.094 -0.464 0.000 1.099 56 V CA 1.751 63.709 62.300 -0.570 0.000 1.122 56 V CB -0.546 30.688 31.823 -0.982 0.000 0.708 56 V HN 0.942 nan 8.190 nan 0.000 0.490 57 G N -1.956 106.633 108.800 -0.351 0.000 2.336 57 G HA2 -0.264 3.651 3.960 -0.074 0.000 0.194 57 G HA3 -0.264 3.651 3.960 -0.074 0.000 0.194 57 G C 0.538 175.389 174.900 -0.081 0.000 0.999 57 G CA 0.188 45.075 45.100 -0.355 0.000 0.669 57 G HN 0.401 nan 8.290 nan 0.000 0.482 58 Y N 1.316 121.734 120.300 0.197 0.000 2.439 58 Y HA 0.291 4.797 4.550 -0.073 0.000 0.292 58 Y C 2.462 178.624 175.900 0.437 0.000 1.130 58 Y CA 0.807 59.133 58.100 0.377 0.000 1.254 58 Y CB -0.128 38.595 38.460 0.439 0.000 1.000 58 Y HN 0.333 nan 8.280 nan 0.000 0.554 59 G N 0.879 109.908 108.800 0.382 0.000 3.008 59 G HA2 0.331 4.246 3.960 -0.074 0.000 0.272 59 G HA3 0.331 4.246 3.960 -0.074 0.000 0.272 59 G C -0.070 174.854 174.900 0.041 0.000 0.764 59 G CA -0.091 45.055 45.100 0.077 0.000 2.029 59 G HN 0.345 nan 8.290 nan 0.000 0.587 60 A N 1.876 124.756 122.820 0.101 0.000 2.475 60 A HA 0.376 4.651 4.320 -0.074 0.000 0.293 60 A C 0.588 178.140 177.584 -0.054 0.000 1.252 60 A CA -0.456 51.616 52.037 0.058 0.000 0.920 60 A CB 0.133 18.985 19.000 -0.247 0.000 1.125 60 A HN 0.761 nan 8.150 nan 0.000 0.528 61 Y N 2.293 122.598 120.300 0.009 0.000 2.205 61 Y HA 0.166 4.671 4.550 -0.074 0.000 0.292 61 Y C 0.173 176.142 175.900 0.116 0.000 1.119 61 Y CA 1.340 59.512 58.100 0.120 0.000 1.117 61 Y CB 0.558 39.133 38.460 0.191 0.000 1.037 61 Y HN 0.512 nan 8.280 nan 0.000 0.510 62 D N 0.149 120.490 120.400 -0.099 0.000 2.421 62 D HA 0.211 4.806 4.640 -0.074 0.000 0.254 62 D C 0.422 176.571 176.300 -0.253 0.000 1.238 62 D CA -0.133 53.657 54.000 -0.351 0.000 0.919 62 D CB 0.776 41.440 40.800 -0.226 0.000 1.152 62 D HN 0.335 nan 8.370 nan 0.000 0.552 63 L N 2.465 123.298 121.223 -0.649 0.000 2.353 63 L HA -0.117 4.178 4.340 -0.074 0.000 0.220 63 L C 0.988 177.714 176.870 -0.240 0.000 1.133 63 L CA 0.907 55.252 54.840 -0.825 0.000 0.798 63 L CB -0.202 40.721 42.059 -1.892 0.000 0.922 63 L HN 0.510 nan 8.230 nan 0.000 0.445 64 Y N -1.586 118.608 120.300 -0.178 0.000 2.457 64 Y HA 0.065 4.571 4.550 -0.074 0.000 0.263 64 Y C 0.599 176.686 175.900 0.312 0.000 1.164 64 Y CA -0.362 57.653 58.100 -0.143 0.000 1.274 64 Y CB 0.340 38.526 38.460 -0.457 0.000 1.097 64 Y HN 0.012 nan 8.280 nan 0.000 0.523 65 D N 0.756 121.447 120.400 0.486 0.000 2.477 65 D HA 0.208 4.804 4.640 -0.074 0.000 0.239 65 D C -0.398 176.237 176.300 0.558 0.000 1.102 65 D CA -0.157 54.238 54.000 0.658 0.000 0.901 65 D CB 0.324 41.467 40.800 0.571 0.000 1.026 65 D HN 0.203 nan 8.370 nan 0.000 0.515 66 L N 3.044 124.590 121.223 0.539 0.000 2.968 66 L HA 0.357 4.652 4.340 -0.074 0.000 0.235 66 L C 1.359 178.428 176.870 0.333 0.000 1.323 66 L CA -0.286 54.817 54.840 0.438 0.000 1.159 66 L CB -0.235 42.062 42.059 0.396 0.000 1.523 66 L HN 0.658 nan 8.230 nan 0.000 0.468 67 G N 0.629 109.617 108.800 0.313 0.000 2.182 67 G HA2 -0.293 3.623 3.960 -0.074 0.000 0.248 67 G HA3 -0.293 3.623 3.960 -0.074 0.000 0.248 67 G C 0.561 175.550 174.900 0.149 0.000 1.042 67 G CA 0.651 45.891 45.100 0.234 0.000 0.775 67 G HN 0.618 nan 8.290 nan 0.000 0.501 68 E N -1.456 118.808 120.200 0.108 0.000 2.330 68 E HA 0.382 4.688 4.350 -0.074 0.000 0.200 68 E C 0.336 176.725 176.600 -0.351 0.000 0.922 68 E CA -0.131 56.152 56.400 -0.195 0.000 0.935 68 E CB 0.327 29.793 29.700 -0.391 0.000 0.917 68 E HN 0.419 nan 8.360 nan 0.000 0.491 69 F N 0.685 120.761 119.950 0.210 0.000 2.556 69 F HA 0.347 4.830 4.527 -0.074 0.000 0.327 69 F C 0.153 176.044 175.800 0.152 0.000 1.059 69 F CA -1.301 56.804 58.000 0.175 0.000 0.953 69 F CB 0.889 40.005 39.000 0.194 0.000 1.227 69 F HN -0.222 nan 8.300 nan 0.000 0.478 70 N N 2.311 121.197 118.700 0.311 0.000 2.482 70 N HA 0.188 4.884 4.740 -0.074 0.000 0.242 70 N C -1.444 174.185 175.510 0.197 0.000 1.100 70 N CA 0.047 53.215 53.050 0.197 0.000 0.946 70 N CB -0.079 38.491 38.487 0.140 0.000 1.227 70 N HN 0.557 nan 8.380 nan 0.000 0.508 71 Q N 2.062 121.973 119.800 0.184 0.000 2.340 71 Q HA 0.298 4.594 4.340 -0.074 0.000 0.276 71 Q C -0.378 175.635 176.000 0.020 0.000 1.048 71 Q CA -0.879 55.014 55.803 0.151 0.000 0.832 71 Q CB 1.984 30.922 28.738 0.335 0.000 1.373 71 Q HN 0.332 nan 8.270 nan 0.000 0.409 72 K N -0.041 120.290 120.400 -0.114 0.000 3.341 72 K HA -0.253 4.022 4.320 -0.074 0.000 0.305 72 K C 0.498 177.043 176.600 -0.093 0.000 1.270 72 K CA 1.063 57.242 56.287 -0.179 0.000 0.897 72 K CB -1.797 30.562 32.500 -0.234 0.000 1.264 72 K HN 1.257 nan 8.250 nan 0.000 0.468 73 G N -0.732 108.041 108.800 -0.045 0.000 2.159 73 G HA2 -0.252 3.664 3.960 -0.074 0.000 0.227 73 G HA3 -0.252 3.664 3.960 -0.074 0.000 0.227 73 G C -0.003 174.890 174.900 -0.013 0.000 0.986 73 G CA 0.698 45.779 45.100 -0.030 0.000 0.651 73 G HN 0.727 nan 8.290 nan 0.000 0.523 74 T N -1.877 112.682 114.554 0.008 0.000 2.942 74 T HA 0.521 4.826 4.350 -0.074 0.000 0.327 74 T C 1.014 175.752 174.700 0.064 0.000 1.360 74 T CA 0.432 62.543 62.100 0.019 0.000 1.055 74 T CB 1.759 70.621 68.868 -0.010 0.000 1.261 74 T HN 0.473 nan 8.240 nan 0.000 0.485 75 V N 3.344 123.296 119.914 0.064 0.000 2.326 75 V HA 0.173 4.249 4.120 -0.074 0.000 0.238 75 V C 1.564 177.715 176.094 0.095 0.000 1.038 75 V CA 1.192 63.547 62.300 0.091 0.000 1.032 75 V CB -0.521 31.342 31.823 0.067 0.000 0.675 75 V HN 0.871 nan 8.190 nan 0.000 0.467 76 R N 1.723 122.261 120.500 0.064 0.000 2.784 76 R HA 0.180 4.476 4.340 -0.074 0.000 0.266 76 R C 0.437 176.759 176.300 0.036 0.000 1.044 76 R CA 0.426 56.568 56.100 0.069 0.000 1.151 76 R CB -0.013 30.307 30.300 0.034 0.000 1.037 76 R HN 0.453 nan 8.270 nan 0.000 0.478 77 T N -1.383 113.196 114.554 0.043 0.000 2.793 77 T HA 0.075 4.380 4.350 -0.074 0.000 0.299 77 T C 1.132 175.650 174.700 -0.302 0.000 1.038 77 T CA -0.393 61.653 62.100 -0.090 0.000 0.948 77 T CB 0.576 69.430 68.868 -0.024 0.000 1.231 77 T HN 0.779 nan 8.240 nan 0.000 0.538 78 K N -0.677 119.355 120.400 -0.614 0.000 2.152 78 K HA -0.153 4.122 4.320 -0.074 0.000 0.206 78 K C 1.530 177.631 176.600 -0.831 0.000 1.048 78 K CA 1.513 57.306 56.287 -0.824 0.000 0.933 78 K CB -0.341 31.400 32.500 -1.265 0.000 0.721 78 K HN 0.715 nan 8.250 nan 0.000 0.447 79 Y N -0.885 119.098 120.300 -0.528 0.000 2.510 79 Y HA 0.310 4.815 4.550 -0.074 0.000 0.273 79 Y C 1.154 176.585 175.900 -0.780 0.000 1.119 79 Y CA 0.262 57.845 58.100 -0.862 0.000 1.286 79 Y CB 0.837 38.290 38.460 -1.679 0.000 1.061 79 Y HN 0.224 nan 8.280 nan 0.000 0.542 80 G N -0.473 108.170 108.800 -0.263 0.000 2.357 80 G HA2 0.202 4.118 3.960 -0.074 0.000 0.289 80 G HA3 0.202 4.118 3.960 -0.074 0.000 0.289 80 G C -0.658 174.423 174.900 0.302 0.000 1.302 80 G CA -0.625 44.517 45.100 0.070 0.000 0.936 80 G HN 0.190 nan 8.290 nan 0.000 0.513 81 T N -1.850 112.887 114.554 0.305 0.000 2.881 81 T HA 0.540 4.845 4.350 -0.074 0.000 0.278 81 T C 1.506 176.352 174.700 0.243 0.000 0.982 81 T CA 0.480 62.717 62.100 0.228 0.000 0.989 81 T CB 1.870 70.814 68.868 0.127 0.000 1.058 81 T HN 0.827 nan 8.240 nan 0.000 0.529 82 R N 0.225 120.809 120.500 0.140 0.000 2.091 82 R HA -0.131 4.165 4.340 -0.074 0.000 0.238 82 R C 2.615 178.910 176.300 -0.009 0.000 1.136 82 R CA 2.075 58.211 56.100 0.061 0.000 0.959 82 R CB -0.802 29.536 30.300 0.064 0.000 0.856 82 R HN 0.856 nan 8.270 nan 0.000 0.437 83 S N 0.027 115.738 115.700 0.018 0.000 2.383 83 S HA -0.181 4.245 4.470 -0.074 0.000 0.227 83 S C 1.890 176.487 174.600 -0.005 0.000 1.026 83 S CA 1.062 59.260 58.200 -0.004 0.000 0.981 83 S CB -0.196 63.008 63.200 0.008 0.000 0.818 83 S HN 0.458 nan 8.310 nan 0.000 0.472 84 Q N 0.348 120.181 119.800 0.055 0.000 2.096 84 Q HA -0.071 4.225 4.340 -0.074 0.000 0.204 84 Q C 2.261 178.258 176.000 -0.006 0.000 0.982 84 Q CA 1.580 57.443 55.803 0.101 0.000 0.850 84 Q CB -0.466 28.423 28.738 0.252 0.000 0.901 84 Q HN 0.557 nan 8.270 nan 0.000 0.422 85 L N 1.201 122.277 121.223 -0.244 0.000 2.012 85 L HA -0.207 4.089 4.340 -0.074 0.000 0.210 85 L C 1.861 178.490 176.870 -0.402 0.000 1.073 85 L CA 1.943 56.334 54.840 -0.748 0.000 0.748 85 L CB -0.362 41.074 42.059 -1.039 0.000 0.891 85 L HN 0.114 nan 8.230 nan 0.000 0.431 86 E N -0.890 119.168 120.200 -0.238 0.000 2.110 86 E HA -0.180 4.126 4.350 -0.074 0.000 0.193 86 E C 2.157 178.703 176.600 -0.090 0.000 0.988 86 E CA 1.437 57.741 56.400 -0.159 0.000 0.804 86 E CB -0.081 29.550 29.700 -0.115 0.000 0.745 86 E HN 0.527 nan 8.360 nan 0.000 0.458 87 S N 0.268 115.928 115.700 -0.067 0.000 2.370 87 S HA -0.213 4.213 4.470 -0.074 0.000 0.226 87 S C 2.016 176.612 174.600 -0.006 0.000 1.033 87 S CA 1.046 59.234 58.200 -0.019 0.000 1.011 87 S CB -0.225 62.969 63.200 -0.009 0.000 0.852 87 S HN 0.420 nan 8.310 nan 0.000 0.457 88 A N 1.400 124.187 122.820 -0.055 0.000 1.872 88 A HA 0.039 4.314 4.320 -0.074 0.000 0.214 88 A C 2.072 179.587 177.584 -0.116 0.000 1.187 88 A CA 0.998 52.992 52.037 -0.072 0.000 0.614 88 A CB -0.703 18.263 19.000 -0.057 0.000 0.826 88 A HN 0.452 nan 8.150 nan 0.000 0.442 89 I N -1.130 119.340 120.570 -0.166 0.000 2.194 89 I HA -0.328 3.798 4.170 -0.074 0.000 0.246 89 I C 2.518 178.568 176.117 -0.111 0.000 1.093 89 I CA 2.027 63.228 61.300 -0.165 0.000 1.355 89 I CB -0.475 37.406 38.000 -0.199 0.000 1.046 89 I HN 0.547 nan 8.210 nan 0.000 0.413 90 H N 0.824 119.815 119.070 -0.132 0.000 2.353 90 H HA -0.132 4.380 4.556 -0.074 0.000 0.300 90 H C 2.195 177.470 175.328 -0.088 0.000 1.090 90 H CA 1.674 57.661 56.048 -0.103 0.000 1.327 90 H CB -0.005 29.705 29.762 -0.086 0.000 1.383 90 H HN 0.316 nan 8.280 nan 0.000 0.508 91 A N 0.532 123.337 122.820 -0.026 0.000 1.917 91 A HA -0.167 4.108 4.320 -0.074 0.000 0.219 91 A C 2.481 179.986 177.584 -0.132 0.000 1.182 91 A CA 1.745 53.744 52.037 -0.063 0.000 0.633 91 A CB -0.921 18.056 19.000 -0.039 0.000 0.819 91 A HN 0.487 nan 8.150 nan 0.000 0.448 92 L N -0.881 120.254 121.223 -0.147 0.000 2.056 92 L HA -0.175 4.121 4.340 -0.074 0.000 0.207 92 L C 2.556 179.320 176.870 -0.177 0.000 1.078 92 L CA 1.304 56.050 54.840 -0.156 0.000 0.749 92 L CB -0.427 41.536 42.059 -0.159 0.000 0.901 92 L HN 0.274 nan 8.230 nan 0.000 0.433 93 K N 0.045 120.306 120.400 -0.231 0.000 2.057 93 K HA -0.073 4.203 4.320 -0.074 0.000 0.206 93 K C 1.755 178.197 176.600 -0.263 0.000 1.050 93 K CA 0.941 57.077 56.287 -0.252 0.000 0.935 93 K CB -0.581 31.739 32.500 -0.300 0.000 0.715 93 K HN 0.362 nan 8.250 nan 0.000 0.439 94 N N 1.464 119.962 118.700 -0.337 0.000 2.348 94 N HA -0.136 4.560 4.740 -0.074 0.000 0.185 94 N C 0.903 176.329 175.510 -0.139 0.000 1.019 94 N CA 1.018 53.925 53.050 -0.237 0.000 0.880 94 N CB -0.267 38.104 38.487 -0.193 0.000 0.965 94 N HN 0.316 nan 8.380 nan 0.000 0.437 95 N N -0.629 117.992 118.700 -0.131 0.000 2.280 95 N HA 0.150 4.845 4.740 -0.074 0.000 0.192 95 N C 0.762 176.219 175.510 -0.088 0.000 1.109 95 N CA 0.444 53.438 53.050 -0.093 0.000 0.855 95 N CB 0.633 39.071 38.487 -0.082 0.000 0.974 95 N HN 0.190 nan 8.380 nan 0.000 0.482 96 G N 0.012 108.748 108.800 -0.106 0.000 2.147 96 G HA2 -0.250 3.665 3.960 -0.074 0.000 0.244 96 G HA3 -0.250 3.665 3.960 -0.074 0.000 0.244 96 G C -0.192 174.653 174.900 -0.093 0.000 1.005 96 G CA 0.105 45.150 45.100 -0.092 0.000 0.713 96 G HN 0.157 nan 8.290 nan 0.000 0.515 97 V N 0.809 120.657 119.914 -0.109 0.000 2.509 97 V HA 0.402 4.477 4.120 -0.074 0.000 0.284 97 V C 0.796 176.805 176.094 -0.143 0.000 1.047 97 V CA -0.459 61.770 62.300 -0.118 0.000 0.952 97 V CB 1.649 33.401 31.823 -0.119 0.000 0.988 97 V HN 0.467 nan 8.190 nan 0.000 0.469 98 Q N 2.230 121.926 119.800 -0.173 0.000 2.299 98 Q HA 0.505 4.800 4.340 -0.074 0.000 0.246 98 Q C -0.965 174.875 176.000 -0.268 0.000 0.935 98 Q CA -0.477 55.204 55.803 -0.202 0.000 0.887 98 Q CB 1.866 30.486 28.738 -0.196 0.000 1.223 98 Q HN 0.589 nan 8.270 nan 0.000 0.439 99 V N 3.073 122.891 119.914 -0.160 0.000 2.357 99 V HA 0.232 4.308 4.120 -0.074 0.000 0.284 99 V C -1.174 174.992 176.094 0.120 0.000 1.018 99 V CA -0.779 61.469 62.300 -0.086 0.000 0.841 99 V CB 0.259 32.020 31.823 -0.103 0.000 0.991 99 V HN 0.573 nan 8.190 nan 0.000 0.437 100 Y N 2.745 123.125 120.300 0.134 0.000 2.331 100 Y HA 0.685 5.190 4.550 -0.075 0.000 0.338 100 Y C 0.840 176.931 175.900 0.319 0.000 0.976 100 Y CA -1.353 56.871 58.100 0.207 0.000 1.137 100 Y CB 1.748 40.404 38.460 0.326 0.000 1.172 100 Y HN 0.687 nan 8.280 nan 0.000 0.478 101 G N 2.722 111.798 108.800 0.461 0.000 2.377 101 G HA2 0.168 4.083 3.960 -0.074 0.000 0.299 101 G HA3 0.168 4.083 3.960 -0.074 0.000 0.299 101 G C -0.370 175.004 174.900 0.791 0.000 1.150 101 G CA -0.485 44.955 45.100 0.568 0.000 0.847 101 G HN 0.510 nan 8.290 nan 0.000 0.501 102 D N -0.141 120.728 120.400 0.782 0.000 2.368 102 D HA 0.250 4.846 4.640 -0.074 0.000 0.240 102 D C -0.344 176.505 176.300 0.915 0.000 1.169 102 D CA 0.354 54.805 54.000 0.752 0.000 0.906 102 D CB 1.578 42.776 40.800 0.664 0.000 1.187 102 D HN 0.029 nan 8.370 nan 0.000 0.435 103 V N 2.645 122.958 119.914 0.665 0.000 2.532 103 V HA 0.203 4.278 4.120 -0.074 0.000 0.294 103 V C -0.333 175.861 176.094 0.167 0.000 1.036 103 V CA -0.797 61.740 62.300 0.396 0.000 0.876 103 V CB 1.956 33.824 31.823 0.074 0.000 1.012 103 V HN 0.309 nan 8.190 nan 0.000 0.432 104 V N 6.478 126.336 119.914 -0.093 0.000 2.325 104 V HA 0.420 4.495 4.120 -0.074 0.000 0.280 104 V C 0.313 176.050 176.094 -0.595 0.000 1.016 104 V CA -0.038 62.142 62.300 -0.200 0.000 0.818 104 V CB 1.402 33.267 31.823 0.070 0.000 1.019 104 V HN 0.927 nan 8.190 nan 0.000 0.434 105 M N 2.090 121.395 119.600 -0.493 0.000 2.300 105 M HA 0.165 4.600 4.480 -0.074 0.000 0.313 105 M C 1.683 177.730 176.300 -0.423 0.000 0.988 105 M CA 0.044 55.023 55.300 -0.536 0.000 1.012 105 M CB 0.287 32.608 32.600 -0.465 0.000 1.586 105 M HN 0.670 nan 8.290 nan 0.000 0.562 106 N N 1.619 120.094 118.700 -0.375 0.000 2.166 106 N HA -0.099 4.596 4.740 -0.074 0.000 0.186 106 N C 0.295 175.728 175.510 -0.129 0.000 1.019 106 N CA 1.236 54.164 53.050 -0.204 0.000 0.856 106 N CB 0.279 38.724 38.487 -0.071 0.000 0.993 106 N HN 0.483 nan 8.380 nan 0.000 0.426 107 H N -3.300 115.690 119.070 -0.134 0.000 2.990 107 H HA 0.500 5.012 4.556 -0.074 0.000 0.336 107 H C -1.218 173.991 175.328 -0.198 0.000 1.306 107 H CA -1.043 54.961 56.048 -0.074 0.000 1.118 107 H CB 0.870 30.626 29.762 -0.009 0.000 1.856 107 H HN -0.159 nan 8.280 nan 0.000 0.538 108 K N 0.668 121.070 120.400 0.004 0.000 2.427 108 K HA 0.539 4.814 4.320 -0.074 0.000 0.252 108 K C -0.558 176.043 176.600 0.002 0.000 0.931 108 K CA -0.724 55.420 56.287 -0.238 0.000 0.793 108 K CB 2.921 34.909 32.500 -0.854 0.000 1.211 108 K HN 0.801 nan 8.250 nan 0.000 0.426 109 G N -0.805 107.897 108.800 -0.163 0.000 2.537 109 G HA2 0.558 4.473 3.960 -0.074 0.000 0.308 109 G HA3 0.558 4.473 3.960 -0.074 0.000 0.308 109 G C 0.228 175.170 174.900 0.070 0.000 1.237 109 G CA -0.463 44.421 45.100 -0.360 0.000 0.968 109 G HN 0.719 nan 8.290 nan 0.000 0.481 110 G N -1.293 107.476 108.800 -0.051 0.000 2.171 110 G HA2 0.224 4.139 3.960 -0.074 0.000 0.238 110 G HA3 0.224 4.139 3.960 -0.074 0.000 0.238 110 G C 0.655 175.478 174.900 -0.128 0.000 1.039 110 G CA 0.417 45.450 45.100 -0.112 0.000 0.759 110 G HN 1.956 nan 8.290 nan 0.000 0.501 111 A N -0.345 122.262 122.820 -0.355 0.000 2.547 111 A HA 0.435 4.710 4.320 -0.074 0.000 0.233 111 A C 1.395 178.819 177.584 -0.267 0.000 1.067 111 A CA 0.992 52.503 52.037 -0.876 0.000 0.763 111 A CB 0.329 18.972 19.000 -0.595 0.000 1.007 111 A HN 0.301 nan 8.150 nan 0.000 0.506 112 D N 0.252 120.503 120.400 -0.249 0.000 2.183 112 D HA 0.244 4.839 4.640 -0.074 0.000 0.203 112 D C 0.719 177.102 176.300 0.138 0.000 0.969 112 D CA 1.923 55.910 54.000 -0.023 0.000 0.842 112 D CB 0.057 40.838 40.800 -0.031 0.000 0.957 112 D HN 0.766 nan 8.370 nan 0.000 0.484 113 A N -0.225 122.672 122.820 0.128 0.000 2.606 113 A HA 0.531 4.807 4.320 -0.074 0.000 0.293 113 A C -0.256 177.225 177.584 -0.171 0.000 1.082 113 A CA -0.625 51.430 52.037 0.031 0.000 0.685 113 A CB 1.268 20.243 19.000 -0.041 0.000 1.284 113 A HN 0.017 nan 8.150 nan 0.000 0.408 114 T N -1.056 113.185 114.554 -0.521 0.000 2.902 114 T HA 0.751 5.056 4.350 -0.074 0.000 0.280 114 T C -0.307 174.199 174.700 -0.323 0.000 0.992 114 T CA -0.419 61.308 62.100 -0.621 0.000 1.015 114 T CB 1.256 69.557 68.868 -0.946 0.000 1.044 114 T HN 0.613 nan 8.240 nan 0.000 0.520 115 E N 0.655 120.692 120.200 -0.270 0.000 2.288 115 E HA 0.287 4.593 4.350 -0.074 0.000 0.268 115 E C -0.884 175.531 176.600 -0.309 0.000 0.885 115 E CA -0.878 55.390 56.400 -0.222 0.000 0.767 115 E CB 1.666 31.300 29.700 -0.110 0.000 1.220 115 E HN 0.708 nan 8.360 nan 0.000 0.427 116 N N 0.997 119.511 118.700 -0.311 0.000 2.431 116 N HA 0.177 4.873 4.740 -0.074 0.000 0.265 116 N C -1.166 174.041 175.510 -0.504 0.000 1.184 116 N CA -0.052 52.787 53.050 -0.351 0.000 0.943 116 N CB 0.800 39.120 38.487 -0.278 0.000 1.080 116 N HN 0.022 nan 8.380 nan 0.000 0.477 117 V N 2.745 122.320 119.914 -0.565 0.000 2.588 117 V HA 0.242 4.318 4.120 -0.074 0.000 0.304 117 V C -0.172 175.567 176.094 -0.592 0.000 1.042 117 V CA -0.965 60.846 62.300 -0.816 0.000 0.877 117 V CB 1.738 32.910 31.823 -1.084 0.000 0.996 117 V HN 0.472 nan 8.190 nan 0.000 0.425 118 L N 4.658 125.545 121.223 -0.561 0.000 2.477 118 L HA 0.638 4.934 4.340 -0.074 0.000 0.272 118 L C 0.354 177.081 176.870 -0.238 0.000 1.157 118 L CA 0.945 55.584 54.840 -0.336 0.000 0.889 118 L CB 0.186 42.091 42.059 -0.258 0.000 1.158 118 L HN 0.942 nan 8.230 nan 0.000 0.473 119 A N 4.540 127.247 122.820 -0.189 0.000 2.527 119 A HA 0.807 5.083 4.320 -0.074 0.000 0.293 119 A C -1.435 176.122 177.584 -0.045 0.000 1.117 119 A CA -0.447 51.571 52.037 -0.032 0.000 0.723 119 A CB 1.888 20.902 19.000 0.023 0.000 1.313 119 A HN 0.699 nan 8.150 nan 0.000 0.411 120 V N 0.402 120.349 119.914 0.054 0.000 2.656 120 V HA 0.485 4.561 4.120 -0.074 0.000 0.307 120 V C -0.338 175.821 176.094 0.109 0.000 1.051 120 V CA -0.508 61.840 62.300 0.079 0.000 0.893 120 V CB 1.629 33.490 31.823 0.062 0.000 0.999 120 V HN 1.000 nan 8.190 nan 0.000 0.426 121 E N 3.457 123.736 120.200 0.132 0.000 2.392 121 E HA 0.437 4.742 4.350 -0.074 0.000 0.264 121 E C -0.517 176.108 176.600 0.041 0.000 1.024 121 E CA -0.050 56.361 56.400 0.019 0.000 0.903 121 E CB 1.636 31.361 29.700 0.042 0.000 0.963 121 E HN 0.750 nan 8.360 nan 0.000 0.432 122 V N 0.380 120.308 119.914 0.024 0.000 2.960 122 V HA 0.403 4.478 4.120 -0.074 0.000 0.315 122 V C -0.207 175.896 176.094 0.015 0.000 1.087 122 V CA -1.325 61.028 62.300 0.088 0.000 0.982 122 V CB 1.923 33.910 31.823 0.272 0.000 1.039 122 V HN 0.517 nan 8.190 nan 0.000 0.437 123 N N 3.352 122.065 118.700 0.020 0.000 2.427 123 N HA 0.267 4.963 4.740 -0.074 0.000 0.269 123 N C -1.756 173.729 175.510 -0.042 0.000 1.235 123 N CA -1.701 51.339 53.050 -0.015 0.000 0.934 123 N CB 1.213 39.695 38.487 -0.008 0.000 1.121 123 N HN 0.485 nan 8.380 nan 0.000 0.480 124 P HA -0.073 nan 4.420 nan 0.000 0.221 124 P C 0.425 177.666 177.300 -0.100 0.000 1.145 124 P CA 1.038 64.089 63.100 -0.082 0.000 0.795 124 P CB 0.351 32.013 31.700 -0.064 0.000 0.775 125 N N -1.543 117.110 118.700 -0.079 0.000 2.424 125 N HA -0.017 4.679 4.740 -0.074 0.000 0.178 125 N C 0.264 175.722 175.510 -0.086 0.000 1.060 125 N CA 0.739 53.738 53.050 -0.086 0.000 0.901 125 N CB -0.242 38.211 38.487 -0.057 0.000 0.979 125 N HN 0.110 nan 8.380 nan 0.000 0.451 126 N N 0.251 118.911 118.700 -0.066 0.000 2.621 126 N HA 0.186 4.882 4.740 -0.074 0.000 0.271 126 N C -0.152 175.343 175.510 -0.025 0.000 1.181 126 N CA -0.213 52.807 53.050 -0.050 0.000 0.805 126 N CB 0.696 39.168 38.487 -0.025 0.000 1.351 126 N HN -0.289 nan 8.380 nan 0.000 0.539 127 R N 1.037 121.501 120.500 -0.060 0.000 2.316 127 R HA 0.206 4.502 4.340 -0.074 0.000 0.202 127 R C 1.074 177.486 176.300 0.187 0.000 1.029 127 R CA 0.375 56.466 56.100 -0.014 0.000 1.018 127 R CB 0.002 30.090 30.300 -0.353 0.000 0.888 127 R HN 0.460 nan 8.270 nan 0.000 0.471 128 N N 0.657 119.424 118.700 0.112 0.000 2.409 128 N HA -0.066 4.630 4.740 -0.074 0.000 0.179 128 N C -0.230 175.345 175.510 0.108 0.000 1.032 128 N CA 0.681 53.812 53.050 0.135 0.000 0.898 128 N CB 0.226 38.738 38.487 0.041 0.000 0.971 128 N HN 0.370 nan 8.380 nan 0.000 0.441 129 Q N 1.140 120.990 119.800 0.083 0.000 2.349 129 Q HA 0.192 4.487 4.340 -0.074 0.000 0.254 129 Q C -0.666 175.380 176.000 0.077 0.000 0.980 129 Q CA -0.087 55.752 55.803 0.059 0.000 0.924 129 Q CB 0.985 29.741 28.738 0.030 0.000 1.209 129 Q HN 0.168 nan 8.270 nan 0.000 0.445 130 E N 2.999 123.241 120.200 0.069 0.000 2.223 130 E HA 0.093 4.398 4.350 -0.074 0.000 0.282 130 E C 0.441 177.072 176.600 0.051 0.000 1.046 130 E CA -0.046 56.394 56.400 0.068 0.000 0.857 130 E CB 0.587 30.321 29.700 0.057 0.000 1.055 130 E HN 0.612 nan 8.360 nan 0.000 0.409 131 I N -0.289 120.312 120.570 0.052 0.000 3.856 131 I HA 0.254 4.380 4.170 -0.074 0.000 0.330 131 I C -0.051 176.096 176.117 0.050 0.000 1.546 131 I CA -0.427 60.895 61.300 0.037 0.000 1.132 131 I CB 0.219 38.230 38.000 0.018 0.000 1.157 131 I HN 0.249 nan 8.210 nan 0.000 0.440 132 S N -0.581 115.166 115.700 0.078 0.000 2.611 132 S HA 0.722 5.148 4.470 -0.074 0.000 0.268 132 S C -0.035 174.635 174.600 0.116 0.000 1.156 132 S CA -0.309 57.955 58.200 0.107 0.000 0.817 132 S CB 0.901 64.219 63.200 0.195 0.000 1.122 132 S HN 0.288 nan 8.310 nan 0.000 0.466 133 G N 0.179 109.051 108.800 0.120 0.000 2.651 133 G HA2 0.467 4.383 3.960 -0.074 0.000 0.260 133 G HA3 0.467 4.383 3.960 -0.074 0.000 0.260 133 G C -0.907 174.107 174.900 0.191 0.000 1.216 133 G CA -0.487 44.683 45.100 0.116 0.000 0.913 133 G HN 0.730 nan 8.290 nan 0.000 0.535 134 D N -0.297 120.183 120.400 0.134 0.000 2.424 134 D HA 0.431 5.026 4.640 -0.074 0.000 0.244 134 D C -0.150 176.284 176.300 0.223 0.000 1.134 134 D CA 0.878 54.949 54.000 0.119 0.000 0.881 134 D CB 0.836 41.664 40.800 0.047 0.000 1.191 134 D HN 0.417 nan 8.370 nan 0.000 0.445 135 Y N -2.359 117.944 120.300 0.006 0.000 2.670 135 Y HA 0.527 5.032 4.550 -0.074 0.000 0.334 135 Y C -0.896 174.968 175.900 -0.060 0.000 1.185 135 Y CA -1.260 56.828 58.100 -0.021 0.000 1.053 135 Y CB 0.659 39.121 38.460 0.003 0.000 1.298 135 Y HN 0.056 nan 8.280 nan 0.000 0.459 136 T N 4.078 118.620 114.554 -0.020 0.000 2.767 136 T HA 0.608 4.913 4.350 -0.074 0.000 0.288 136 T C -0.087 174.477 174.700 -0.228 0.000 0.963 136 T CA -0.456 61.528 62.100 -0.192 0.000 1.019 136 T CB 0.019 68.794 68.868 -0.155 0.000 0.923 136 T HN 0.702 nan 8.240 nan 0.000 0.468 137 I N 0.135 120.476 120.570 -0.383 0.000 2.863 137 I HA 0.667 4.793 4.170 -0.074 0.000 0.311 137 I C -0.007 175.889 176.117 -0.367 0.000 1.026 137 I CA -1.170 59.887 61.300 -0.404 0.000 1.077 137 I CB 1.723 39.358 38.000 -0.608 0.000 1.262 137 I HN 0.454 nan 8.210 nan 0.000 0.461 138 E N 3.020 123.000 120.200 -0.367 0.000 2.014 138 E HA 0.596 4.902 4.350 -0.074 0.000 0.275 138 E C -1.029 175.339 176.600 -0.387 0.000 0.997 138 E CA -0.663 55.515 56.400 -0.370 0.000 0.804 138 E CB 1.000 30.488 29.700 -0.353 0.000 1.090 138 E HN 0.821 nan 8.360 nan 0.000 0.401 139 A N 4.467 127.093 122.820 -0.323 0.000 2.330 139 A HA 0.342 4.617 4.320 -0.074 0.000 0.327 139 A C -1.286 176.213 177.584 -0.142 0.000 1.155 139 A CA -0.740 51.220 52.037 -0.128 0.000 0.803 139 A CB 0.446 19.497 19.000 0.085 0.000 1.208 139 A HN 0.777 nan 8.150 nan 0.000 0.477 140 W N 2.406 123.760 121.300 0.089 0.000 2.290 140 W HA 0.341 4.957 4.660 -0.074 0.000 0.408 140 W C 0.935 177.453 176.519 -0.002 0.000 0.966 140 W CA 0.546 57.904 57.345 0.022 0.000 1.579 140 W CB 0.628 30.112 29.460 0.039 0.000 1.662 140 W HN 0.826 nan 8.180 nan 0.000 0.341 141 T N -2.008 112.658 114.554 0.186 0.000 3.016 141 T HA 0.150 4.455 4.350 -0.074 0.000 0.271 141 T C 0.413 175.368 174.700 0.425 0.000 0.968 141 T CA -0.492 61.797 62.100 0.314 0.000 0.891 141 T CB 0.110 69.259 68.868 0.468 0.000 1.149 141 T HN 0.119 nan 8.240 nan 0.000 0.524 142 K N 1.301 121.772 120.400 0.118 0.000 2.263 142 K HA 0.486 4.761 4.320 -0.074 0.000 0.282 142 K C -1.581 174.934 176.600 -0.142 0.000 1.089 142 K CA -0.775 55.555 56.287 0.071 0.000 0.907 142 K CB 0.137 32.635 32.500 -0.003 0.000 1.148 142 K HN 0.164 nan 8.250 nan 0.000 0.470 143 F N 3.355 123.284 119.950 -0.036 0.000 2.347 143 F HA 0.216 4.699 4.527 -0.074 0.000 0.366 143 F C 0.631 175.997 175.800 -0.723 0.000 1.107 143 F CA -0.605 57.137 58.000 -0.430 0.000 1.058 143 F CB 1.478 40.169 39.000 -0.515 0.000 1.236 143 F HN 0.569 nan 8.300 nan 0.000 0.456 144 D N 2.624 122.742 120.400 -0.470 0.000 2.423 144 D HA 0.058 4.654 4.640 -0.074 0.000 0.208 144 D C 0.207 176.423 176.300 -0.139 0.000 1.068 144 D CA 0.418 54.264 54.000 -0.257 0.000 0.860 144 D CB 0.224 40.974 40.800 -0.083 0.000 0.992 144 D HN 0.382 nan 8.370 nan 0.000 0.504 145 F N 0.324 120.377 119.950 0.171 0.000 2.773 145 F HA -0.166 4.317 4.527 -0.074 0.000 0.251 145 F C -1.470 174.382 175.800 0.086 0.000 1.020 145 F CA -0.403 57.689 58.000 0.153 0.000 0.924 145 F CB -1.714 37.300 39.000 0.023 0.000 0.919 145 F HN 0.123 nan 8.300 nan 0.000 0.846 146 P HA -0.094 nan 4.420 nan 0.000 0.223 146 P C 1.700 179.072 177.300 0.121 0.000 1.151 146 P CA 1.850 65.025 63.100 0.124 0.000 0.787 146 P CB 0.120 31.877 31.700 0.094 0.000 0.788 147 G N 0.005 108.908 108.800 0.172 0.000 2.551 147 G HA2 -0.150 3.766 3.960 -0.074 0.000 0.216 147 G HA3 -0.150 3.766 3.960 -0.074 0.000 0.216 147 G C 1.793 176.760 174.900 0.111 0.000 1.137 147 G CA 0.119 45.323 45.100 0.172 0.000 0.798 147 G HN 0.273 nan 8.290 nan 0.000 0.536 148 R N -0.388 120.078 120.500 -0.057 0.000 2.254 148 R HA 0.337 4.632 4.340 -0.074 0.000 0.193 148 R C 1.697 177.801 176.300 -0.327 0.000 0.929 148 R CA 1.074 56.842 56.100 -0.553 0.000 1.038 148 R CB -0.086 29.732 30.300 -0.804 0.000 1.009 148 R HN 0.320 nan 8.270 nan 0.000 0.512 149 G N 1.257 110.001 108.800 -0.093 0.000 2.596 149 G HA2 -0.379 3.537 3.960 -0.074 0.000 0.295 149 G HA3 -0.379 3.537 3.960 -0.074 0.000 0.295 149 G C 0.033 174.878 174.900 -0.092 0.000 1.240 149 G CA 0.411 45.478 45.100 -0.055 0.000 0.985 149 G HN 0.449 nan 8.290 nan 0.000 0.555 150 N N 1.080 119.718 118.700 -0.103 0.000 2.235 150 N HA 0.201 4.897 4.740 -0.074 0.000 0.209 150 N C 0.511 175.906 175.510 -0.193 0.000 1.122 150 N CA 0.742 53.719 53.050 -0.122 0.000 0.845 150 N CB 0.323 38.770 38.487 -0.068 0.000 1.004 150 N HN 0.561 nan 8.380 nan 0.000 0.499 151 T N 1.430 115.823 114.554 -0.267 0.000 2.871 151 T HA -0.062 4.244 4.350 -0.074 0.000 0.296 151 T C 0.360 174.819 174.700 -0.402 0.000 0.998 151 T CA 0.544 62.421 62.100 -0.371 0.000 1.162 151 T CB 0.330 68.943 68.868 -0.426 0.000 0.947 151 T HN 0.278 nan 8.240 nan 0.000 0.536 152 Y N 0.241 120.471 120.300 -0.117 0.000 2.865 152 Y HA -0.269 4.237 4.550 -0.074 0.000 0.480 152 Y C 0.973 176.503 175.900 -0.617 0.000 1.252 152 Y CA 1.226 59.148 58.100 -0.297 0.000 2.596 152 Y CB -1.745 36.462 38.460 -0.421 0.000 0.917 152 Y HN 0.754 nan 8.280 nan 0.000 0.522 153 S N 0.384 115.754 115.700 -0.549 0.000 2.562 153 S HA 0.493 4.919 4.470 -0.074 0.000 0.274 153 S C -0.209 174.219 174.600 -0.286 0.000 1.160 153 S CA -0.094 57.757 58.200 -0.582 0.000 0.933 153 S CB 1.323 63.725 63.200 -1.329 0.000 1.100 153 S HN 0.338 nan 8.310 nan 0.000 0.468 154 D N 3.088 123.419 120.400 -0.115 0.000 2.339 154 D HA 0.051 4.646 4.640 -0.074 0.000 0.217 154 D C 0.312 176.629 176.300 0.029 0.000 1.050 154 D CA -0.299 53.681 54.000 -0.033 0.000 0.856 154 D CB -0.284 40.504 40.800 -0.021 0.000 0.922 154 D HN 0.408 nan 8.370 nan 0.000 0.518 155 F N 2.261 122.150 119.950 -0.102 0.000 2.541 155 F HA 0.186 4.669 4.527 -0.074 0.000 0.378 155 F C 0.226 176.038 175.800 0.021 0.000 1.068 155 F CA -0.173 57.760 58.000 -0.113 0.000 1.199 155 F CB 0.491 39.363 39.000 -0.213 0.000 1.091 155 F HN -0.359 nan 8.300 nan 0.000 0.555 156 K N 6.398 126.431 120.400 -0.612 0.000 2.206 156 K HA 0.175 4.451 4.320 -0.074 0.000 0.264 156 K C -1.379 174.842 176.600 -0.632 0.000 0.967 156 K CA -0.473 55.614 56.287 -0.333 0.000 0.844 156 K CB 1.083 33.459 32.500 -0.207 0.000 1.099 156 K HN 0.583 nan 8.250 nan 0.000 0.441 157 W N 2.779 123.931 121.300 -0.246 0.000 2.315 157 W HA 0.328 4.944 4.660 -0.074 0.000 0.316 157 W C 0.803 177.389 176.519 0.112 0.000 1.211 157 W CA -0.342 56.957 57.345 -0.078 0.000 1.201 157 W CB 0.779 30.294 29.460 0.091 0.000 1.184 157 W HN 0.180 nan 8.180 nan 0.000 0.544 158 R N 2.567 123.210 120.500 0.238 0.000 2.930 158 R HA 0.212 4.507 4.340 -0.074 0.000 0.257 158 R C 1.346 177.585 176.300 -0.100 0.000 1.107 158 R CA -0.822 55.175 56.100 -0.172 0.000 0.999 158 R CB 0.123 29.863 30.300 -0.933 0.000 1.209 158 R HN 0.836 nan 8.270 nan 0.000 0.486 159 W N 1.700 122.979 121.300 -0.035 0.000 2.331 159 W HA -0.241 4.374 4.660 -0.074 0.000 0.291 159 W C 1.108 177.764 176.519 0.228 0.000 1.214 159 W CA 1.311 58.774 57.345 0.196 0.000 1.228 159 W CB -0.866 28.488 29.460 -0.178 0.000 1.135 159 W HN 0.746 nan 8.180 nan 0.000 0.537 160 Y N -0.286 119.275 120.300 -1.231 0.000 2.583 160 Y HA 0.155 4.660 4.550 -0.074 0.000 0.293 160 Y C 1.675 177.114 175.900 -0.768 0.000 1.157 160 Y CA 1.289 58.562 58.100 -1.379 0.000 1.315 160 Y CB -1.558 35.895 38.460 -1.680 0.000 1.021 160 Y HN 0.030 nan 8.280 nan 0.000 0.536 161 H N -0.785 117.978 119.070 -0.512 0.000 2.553 161 H HA 0.230 4.742 4.556 -0.074 0.000 0.265 161 H C -0.753 174.329 175.328 -0.410 0.000 0.964 161 H CA -0.207 55.498 56.048 -0.571 0.000 1.156 161 H CB 0.116 29.461 29.762 -0.694 0.000 1.411 161 H HN 0.199 nan 8.280 nan 0.000 0.558 162 F N -0.478 119.660 119.950 0.313 0.000 2.538 162 F HA 0.213 4.696 4.527 -0.074 0.000 0.325 162 F C 0.808 176.784 175.800 0.293 0.000 1.066 162 F CA -1.119 57.087 58.000 0.344 0.000 0.946 162 F CB 1.488 40.746 39.000 0.430 0.000 1.199 162 F HN -0.106 nan 8.300 nan 0.000 0.473 163 D N 0.387 121.000 120.400 0.354 0.000 2.271 163 D HA 0.286 4.881 4.640 -0.074 0.000 0.206 163 D C 0.734 176.827 176.300 -0.344 0.000 0.967 163 D CA 0.876 54.940 54.000 0.106 0.000 0.867 163 D CB 0.737 41.674 40.800 0.228 0.000 0.960 163 D HN 0.680 nan 8.370 nan 0.000 0.509 164 G N -0.540 108.009 108.800 -0.419 0.000 2.328 164 G HA2 0.433 4.349 3.960 -0.074 0.000 0.295 164 G HA3 0.433 4.349 3.960 -0.074 0.000 0.295 164 G C -1.338 173.485 174.900 -0.127 0.000 1.413 164 G CA -0.174 44.540 45.100 -0.643 0.000 0.817 164 G HN 0.111 nan 8.290 nan 0.000 0.546 165 V N -3.035 116.859 119.914 -0.032 0.000 3.165 165 V HA 0.890 4.965 4.120 -0.074 0.000 0.309 165 V C -0.586 175.601 176.094 0.154 0.000 1.267 165 V CA -0.059 62.381 62.300 0.234 0.000 1.067 165 V CB 2.270 34.277 31.823 0.306 0.000 1.082 165 V HN 0.965 nan 8.190 nan 0.000 0.451 166 D N -1.135 119.449 120.400 0.307 0.000 2.571 166 D HA 0.188 4.783 4.640 -0.074 0.000 0.239 166 D C -0.306 176.367 176.300 0.622 0.000 1.267 166 D CA 0.048 54.225 54.000 0.296 0.000 0.823 166 D CB 0.536 41.459 40.800 0.205 0.000 1.056 166 D HN 0.747 nan 8.370 nan 0.000 0.494 167 W N 1.351 122.859 121.300 0.346 0.000 3.615 167 W HA 0.275 4.891 4.660 -0.074 0.000 0.319 167 W C -2.052 174.459 176.519 -0.012 0.000 1.172 167 W CA -0.633 56.857 57.345 0.242 0.000 1.240 167 W CB 2.024 31.629 29.460 0.242 0.000 1.313 167 W HN -0.241 nan 8.180 nan 0.000 0.487 168 D N 3.993 123.959 120.400 -0.723 0.000 2.427 168 D HA 0.081 4.676 4.640 -0.074 0.000 0.226 168 D C 0.872 176.686 176.300 -0.811 0.000 1.076 168 D CA -0.036 53.506 54.000 -0.763 0.000 0.849 168 D CB 1.756 42.088 40.800 -0.781 0.000 1.052 168 D HN 0.339 nan 8.370 nan 0.000 0.515 169 Q N 2.064 121.606 119.800 -0.431 0.000 2.226 169 Q HA -0.139 4.156 4.340 -0.074 0.000 0.204 169 Q C 1.599 177.460 176.000 -0.232 0.000 0.975 169 Q CA 1.693 57.396 55.803 -0.167 0.000 0.866 169 Q CB -0.063 28.607 28.738 -0.114 0.000 0.915 169 Q HN 0.480 nan 8.270 nan 0.000 0.440 170 S N -1.637 113.870 115.700 -0.321 0.000 2.496 170 S HA 0.066 4.491 4.470 -0.074 0.000 0.224 170 S C 1.627 176.033 174.600 -0.324 0.000 0.996 170 S CA 0.364 58.406 58.200 -0.263 0.000 0.927 170 S CB 0.188 63.249 63.200 -0.232 0.000 0.774 170 S HN 0.387 nan 8.310 nan 0.000 0.524 171 R N -0.209 119.975 120.500 -0.528 0.000 2.444 171 R HA 0.279 4.574 4.340 -0.074 0.000 0.201 171 R C -0.061 175.714 176.300 -0.875 0.000 0.861 171 R CA 0.365 55.992 56.100 -0.787 0.000 1.034 171 R CB 0.083 29.659 30.300 -1.207 0.000 1.347 171 R HN 0.335 nan 8.270 nan 0.000 0.659 172 Q N 0.557 119.782 119.800 -0.958 0.000 2.478 172 Q HA -0.165 4.131 4.340 -0.074 0.000 0.286 172 Q C -1.205 174.446 176.000 -0.582 0.000 1.299 172 Q CA 0.358 55.526 55.803 -1.059 0.000 0.826 172 Q CB -1.625 26.967 28.738 -0.243 0.000 1.199 172 Q HN 0.106 nan 8.270 nan 0.000 0.451 173 F N 1.244 120.953 119.950 -0.400 0.000 2.429 173 F HA 0.221 4.703 4.527 -0.074 0.000 0.348 173 F C 1.383 177.227 175.800 0.074 0.000 1.109 173 F CA -0.469 57.484 58.000 -0.078 0.000 1.232 173 F CB 0.552 39.558 39.000 0.011 0.000 1.157 173 F HN -0.010 nan 8.300 nan 0.000 0.564 174 Q N 1.099 121.129 119.800 0.384 0.000 2.221 174 Q HA 0.232 4.528 4.340 -0.074 0.000 0.242 174 Q C 0.104 176.237 176.000 0.222 0.000 0.940 174 Q CA -0.492 55.531 55.803 0.366 0.000 0.896 174 Q CB 0.876 29.784 28.738 0.283 0.000 1.226 174 Q HN 0.672 nan 8.270 nan 0.000 0.463 175 N N -0.020 118.790 118.700 0.184 0.000 2.818 175 N HA -0.142 4.553 4.740 -0.074 0.000 0.250 175 N C -1.240 174.288 175.510 0.030 0.000 1.108 175 N CA 0.789 53.891 53.050 0.086 0.000 0.745 175 N CB -0.283 38.235 38.487 0.051 0.000 1.104 175 N HN 0.417 nan 8.380 nan 0.000 0.557 176 R N 0.122 120.641 120.500 0.031 0.000 2.778 176 R HA 0.692 4.988 4.340 -0.074 0.000 0.277 176 R C -0.090 176.050 176.300 -0.265 0.000 0.977 176 R CA -0.622 55.378 56.100 -0.166 0.000 0.950 176 R CB 1.633 31.767 30.300 -0.276 0.000 1.165 176 R HN 0.129 nan 8.270 nan 0.000 0.474 177 I N 1.806 122.135 120.570 -0.401 0.000 2.545 177 I HA 0.359 4.485 4.170 -0.074 0.000 0.292 177 I C -1.098 174.794 176.117 -0.375 0.000 1.040 177 I CA -0.999 60.072 61.300 -0.383 0.000 1.068 177 I CB 1.753 39.549 38.000 -0.340 0.000 1.251 177 I HN 0.403 nan 8.210 nan 0.000 0.424 178 Y N 4.615 124.905 120.300 -0.017 0.000 2.328 178 Y HA 0.394 4.899 4.550 -0.074 0.000 0.336 178 Y C 0.072 175.959 175.900 -0.022 0.000 0.960 178 Y CA -0.746 57.368 58.100 0.023 0.000 1.134 178 Y CB 1.552 40.031 38.460 0.031 0.000 1.166 178 Y HN 0.398 nan 8.280 nan 0.000 0.464 179 K N 3.392 123.827 120.400 0.057 0.000 2.172 179 K HA 0.419 4.695 4.320 -0.074 0.000 0.276 179 K C -1.190 175.406 176.600 -0.007 0.000 1.013 179 K CA -0.495 55.602 56.287 -0.318 0.000 0.913 179 K CB 0.569 32.715 32.500 -0.590 0.000 1.055 179 K HN 0.397 nan 8.250 nan 0.000 0.461 180 F N 3.121 123.019 119.950 -0.087 0.000 2.429 180 F HA 0.296 4.779 4.527 -0.073 0.000 0.348 180 F C 1.205 177.025 175.800 0.033 0.000 1.109 180 F CA -0.662 57.370 58.000 0.053 0.000 1.232 180 F CB 0.586 39.753 39.000 0.277 0.000 1.157 180 F HN 0.422 nan 8.300 nan 0.000 0.564 181 R N 0.823 121.453 120.500 0.217 0.000 2.546 181 R HA 0.763 5.059 4.340 -0.074 0.000 0.266 181 R C 0.246 176.677 176.300 0.218 0.000 1.086 181 R CA -0.425 55.752 56.100 0.127 0.000 1.160 181 R CB 0.823 31.143 30.300 0.033 0.000 1.138 181 R HN 0.854 nan 8.270 nan 0.000 0.567 182 G N 0.508 109.407 108.800 0.165 0.000 2.334 182 G HA2 -0.098 3.817 3.960 -0.074 0.000 0.566 182 G HA3 -0.098 3.817 3.960 -0.074 0.000 0.566 182 G C -1.590 173.391 174.900 0.135 0.000 1.413 182 G CA -0.969 44.258 45.100 0.210 0.000 0.993 182 G HN 0.424 nan 8.290 nan 0.000 0.642 183 D N 0.591 121.051 120.400 0.100 0.000 2.434 183 D HA 0.420 5.015 4.640 -0.074 0.000 0.252 183 D C 1.455 177.781 176.300 0.044 0.000 1.185 183 D CA 2.123 56.155 54.000 0.052 0.000 0.886 183 D CB 0.898 41.713 40.800 0.026 0.000 1.148 183 D HN 1.925 nan 8.370 nan 0.000 0.483 184 G N 2.482 111.305 108.800 0.039 0.000 2.176 184 G HA2 -0.249 3.667 3.960 -0.074 0.000 0.253 184 G HA3 -0.249 3.667 3.960 -0.074 0.000 0.253 184 G C 0.318 175.251 174.900 0.055 0.000 0.979 184 G CA -0.234 44.887 45.100 0.035 0.000 0.641 184 G HN 0.392 nan 8.290 nan 0.000 0.530 185 K N 0.904 121.345 120.400 0.069 0.000 2.285 185 K HA 0.724 5.000 4.320 -0.074 0.000 0.286 185 K C 0.191 176.788 176.600 -0.004 0.000 1.072 185 K CA 0.663 56.992 56.287 0.069 0.000 0.913 185 K CB 1.350 33.932 32.500 0.137 0.000 1.067 185 K HN 1.118 nan 8.250 nan 0.000 0.479 186 A N 3.552 126.356 122.820 -0.026 0.000 2.594 186 A HA 0.392 4.668 4.320 -0.074 0.000 0.296 186 A C -1.520 176.062 177.584 -0.004 0.000 1.061 186 A CA -0.994 51.001 52.037 -0.070 0.000 0.689 186 A CB 0.421 19.439 19.000 0.029 0.000 1.280 186 A HN 0.684 nan 8.150 nan 0.000 0.406 187 W N 1.911 123.293 121.300 0.136 0.000 2.377 187 W HA 0.122 4.738 4.660 -0.073 0.000 0.341 187 W C 0.127 176.757 176.519 0.186 0.000 1.240 187 W CA 0.276 57.720 57.345 0.164 0.000 1.311 187 W CB 0.410 29.972 29.460 0.169 0.000 1.175 187 W HN 0.584 nan 8.180 nan 0.000 0.571 188 D N 1.073 121.760 120.400 0.479 0.000 2.360 188 D HA 0.131 4.726 4.640 -0.074 0.000 0.242 188 D C -0.501 176.058 176.300 0.432 0.000 1.184 188 D CA 0.238 54.448 54.000 0.350 0.000 0.930 188 D CB 0.782 41.729 40.800 0.246 0.000 1.161 188 D HN 0.411 nan 8.370 nan 0.000 0.447 189 W N 0.865 122.216 121.300 0.086 0.000 3.573 189 W HA 0.137 4.753 4.660 -0.074 0.000 0.306 189 W C -1.225 175.295 176.519 0.002 0.000 1.227 189 W CA -0.507 56.848 57.345 0.018 0.000 1.212 189 W CB 1.389 30.874 29.460 0.043 0.000 1.331 189 W HN 0.351 nan 8.180 nan 0.000 0.524 190 E N 3.300 123.165 120.200 -0.558 0.000 2.266 190 E HA 0.504 4.810 4.350 -0.074 0.000 0.277 190 E C -0.697 175.108 176.600 -1.326 0.000 1.018 190 E CA -0.293 55.160 56.400 -1.578 0.000 0.840 190 E CB 1.703 30.450 29.700 -1.588 0.000 1.082 190 E HN 0.317 nan 8.360 nan 0.000 0.395 191 V N 0.468 119.627 119.914 -1.259 0.000 3.167 191 V HA 0.409 4.484 4.120 -0.074 0.000 0.310 191 V C -0.344 175.475 176.094 -0.458 0.000 1.207 191 V CA -1.234 60.645 62.300 -0.703 0.000 1.059 191 V CB 1.416 33.173 31.823 -0.111 0.000 1.079 191 V HN 0.763 nan 8.190 nan 0.000 0.446 192 D N 0.976 121.349 120.400 -0.045 0.000 2.506 192 D HA 0.161 4.757 4.640 -0.074 0.000 0.234 192 D C 1.264 177.697 176.300 0.221 0.000 1.143 192 D CA 1.096 55.180 54.000 0.139 0.000 0.871 192 D CB 1.410 42.229 40.800 0.032 0.000 1.190 192 D HN 0.955 nan 8.370 nan 0.000 0.459 193 S N 1.811 117.667 115.700 0.261 0.000 2.575 193 S HA 0.015 4.441 4.470 -0.074 0.000 0.215 193 S C 0.724 175.420 174.600 0.161 0.000 0.966 193 S CA -0.463 57.910 58.200 0.288 0.000 0.911 193 S CB -0.189 63.207 63.200 0.327 0.000 0.780 193 S HN 0.616 nan 8.310 nan 0.000 0.514 194 E N 2.188 122.476 120.200 0.147 0.000 2.414 194 E HA 0.005 4.310 4.350 -0.074 0.000 0.263 194 E C -0.254 176.229 176.600 -0.195 0.000 1.000 194 E CA 0.072 56.482 56.400 0.016 0.000 0.914 194 E CB 0.079 29.828 29.700 0.081 0.000 0.948 194 E HN 0.334 nan 8.360 nan 0.000 0.444 195 N N 2.838 121.414 118.700 -0.205 0.000 2.747 195 N HA -0.265 4.430 4.740 -0.074 0.000 0.249 195 N C 0.723 176.155 175.510 -0.130 0.000 1.107 195 N CA 1.016 53.926 53.050 -0.232 0.000 0.707 195 N CB -1.678 36.540 38.487 -0.447 0.000 1.054 195 N HN 0.881 nan 8.380 nan 0.000 0.555 196 G N 0.252 109.025 108.800 -0.045 0.000 3.548 196 G HA2 -0.392 3.523 3.960 -0.074 0.000 0.224 196 G HA3 -0.392 3.523 3.960 -0.074 0.000 0.224 196 G C -0.079 174.859 174.900 0.063 0.000 1.351 196 G CA 0.795 45.896 45.100 0.002 0.000 0.905 196 G HN 0.747 nan 8.290 nan 0.000 0.561 197 N N -0.978 117.742 118.700 0.034 0.000 2.478 197 N HA 0.381 5.077 4.740 -0.074 0.000 0.291 197 N C -1.082 174.460 175.510 0.054 0.000 1.090 197 N CA -0.520 52.612 53.050 0.137 0.000 0.911 197 N CB 1.153 39.713 38.487 0.122 0.000 1.546 197 N HN 0.103 nan 8.380 nan 0.000 0.500 198 Y N 2.423 122.744 120.300 0.035 0.000 2.625 198 Y HA 0.175 4.680 4.550 -0.075 0.000 0.285 198 Y C 1.442 177.383 175.900 0.070 0.000 1.168 198 Y CA -0.631 57.484 58.100 0.025 0.000 1.250 198 Y CB -0.138 38.341 38.460 0.031 0.000 1.130 198 Y HN 0.629 nan 8.280 nan 0.000 0.526 199 D N 0.001 120.501 120.400 0.166 0.000 2.106 199 D HA -0.267 4.328 4.640 -0.074 0.000 0.191 199 D C 0.250 176.585 176.300 0.057 0.000 0.997 199 D CA 1.178 55.263 54.000 0.141 0.000 0.834 199 D CB -0.377 40.564 40.800 0.236 0.000 0.956 199 D HN 0.259 nan 8.370 nan 0.000 0.448 200 Y N 0.237 120.367 120.300 -0.284 0.000 2.544 200 Y HA 0.221 4.726 4.550 -0.074 0.000 0.330 200 Y C 0.782 176.643 175.900 -0.064 0.000 1.136 200 Y CA -0.042 57.921 58.100 -0.228 0.000 1.417 200 Y CB 0.737 38.899 38.460 -0.497 0.000 1.229 200 Y HN 0.025 nan 8.280 nan 0.000 0.532 201 L N 5.910 126.581 121.223 -0.920 0.000 2.666 201 L HA 0.454 4.750 4.340 -0.074 0.000 0.184 201 L C -0.525 175.872 176.870 -0.788 0.000 1.092 201 L CA 0.770 55.177 54.840 -0.722 0.000 0.857 201 L CB 0.298 41.826 42.059 -0.885 0.000 1.281 201 L HN 0.726 nan 8.230 nan 0.000 0.489 202 M N -4.324 114.663 119.600 -1.022 0.000 2.833 202 M HA 0.396 4.831 4.480 -0.074 0.000 0.270 202 M C -0.573 175.447 176.300 -0.468 0.000 1.209 202 M CA -0.842 54.045 55.300 -0.687 0.000 0.826 202 M CB 1.455 33.623 32.600 -0.720 0.000 1.657 202 M HN 0.092 nan 8.290 nan 0.000 0.492 203 Y N -0.668 119.570 120.300 -0.103 0.000 2.892 203 Y HA -0.188 4.317 4.550 -0.074 0.000 0.465 203 Y C 0.563 176.546 175.900 0.139 0.000 1.195 203 Y CA 1.092 59.199 58.100 0.012 0.000 2.512 203 Y CB -1.804 36.615 38.460 -0.067 0.000 1.230 203 Y HN 1.134 nan 8.280 nan 0.000 0.633 204 A N 1.231 124.209 122.820 0.264 0.000 2.252 204 A HA 0.485 4.760 4.320 -0.074 0.000 0.309 204 A C -0.752 176.925 177.584 0.155 0.000 1.285 204 A CA 0.145 52.183 52.037 0.002 0.000 0.900 204 A CB 0.283 18.887 19.000 -0.660 0.000 1.157 204 A HN 0.450 nan 8.150 nan 0.000 0.536 205 D N 2.549 123.154 120.400 0.341 0.000 2.312 205 D HA 0.347 4.942 4.640 -0.074 0.000 0.252 205 D C -0.046 176.584 176.300 0.550 0.000 1.150 205 D CA 0.049 54.279 54.000 0.383 0.000 0.870 205 D CB 0.942 42.009 40.800 0.445 0.000 1.153 205 D HN 0.258 nan 8.370 nan 0.000 0.457 206 V N 4.020 124.157 119.914 0.372 0.000 2.572 206 V HA 0.037 4.113 4.120 -0.074 0.000 0.291 206 V C 0.438 176.630 176.094 0.163 0.000 1.039 206 V CA -0.119 62.325 62.300 0.240 0.000 1.055 206 V CB 1.215 33.033 31.823 -0.008 0.000 0.969 206 V HN 0.608 nan 8.190 nan 0.000 0.482 207 D N 5.261 125.747 120.400 0.144 0.000 2.393 207 D HA 0.177 4.773 4.640 -0.074 0.000 0.232 207 D C 0.746 177.070 176.300 0.040 0.000 1.192 207 D CA -0.389 53.694 54.000 0.139 0.000 0.882 207 D CB 1.053 41.962 40.800 0.182 0.000 1.038 207 D HN 0.318 nan 8.370 nan 0.000 0.499 208 M N 1.919 121.497 119.600 -0.036 0.000 2.619 208 M HA -0.015 4.420 4.480 -0.074 0.000 0.251 208 M C 0.565 176.873 176.300 0.012 0.000 1.106 208 M CA 0.448 55.635 55.300 -0.189 0.000 1.086 208 M CB -0.162 32.239 32.600 -0.333 0.000 1.465 208 M HN 0.304 nan 8.290 nan 0.000 0.506 209 D N -0.981 119.471 120.400 0.086 0.000 2.347 209 D HA -0.043 4.553 4.640 -0.074 0.000 0.213 209 D C 0.713 177.069 176.300 0.094 0.000 0.985 209 D CA 0.508 54.570 54.000 0.103 0.000 0.879 209 D CB 0.006 40.870 40.800 0.106 0.000 0.919 209 D HN 0.297 nan 8.370 nan 0.000 0.526 210 H N 1.205 120.295 119.070 0.033 0.000 2.668 210 H HA 0.095 4.606 4.556 -0.074 0.000 0.303 210 H C -1.662 173.687 175.328 0.036 0.000 1.074 210 H CA -1.675 54.394 56.048 0.034 0.000 1.406 210 H CB 1.980 31.773 29.762 0.051 0.000 1.442 210 H HN -0.207 nan 8.280 nan 0.000 0.482 211 P HA -0.141 nan 4.420 nan 0.000 0.216 211 P C 1.051 178.443 177.300 0.152 0.000 1.150 211 P CA 1.311 64.442 63.100 0.050 0.000 0.837 211 P CB 0.423 32.093 31.700 -0.050 0.000 0.786 212 E N -0.690 119.730 120.200 0.367 0.000 2.106 212 E HA -0.094 4.212 4.350 -0.074 0.000 0.192 212 E C 1.989 178.561 176.600 -0.048 0.000 0.984 212 E CA 0.937 57.490 56.400 0.255 0.000 0.806 212 E CB -0.535 29.452 29.700 0.478 0.000 0.750 212 E HN 0.057 nan 8.360 nan 0.000 0.458 213 V N 1.137 121.052 119.914 0.002 0.000 2.295 213 V HA -0.239 3.837 4.120 -0.074 0.000 0.246 213 V C 2.386 178.431 176.094 -0.083 0.000 1.049 213 V CA 1.333 63.493 62.300 -0.234 0.000 1.024 213 V CB -0.413 31.351 31.823 -0.098 0.000 0.648 213 V HN 0.111 nan 8.190 nan 0.000 0.447 214 V N 0.635 120.595 119.914 0.076 0.000 2.237 214 V HA -0.263 3.813 4.120 -0.074 0.000 0.245 214 V C 2.368 178.538 176.094 0.126 0.000 1.046 214 V CA 2.292 64.737 62.300 0.241 0.000 1.007 214 V CB -0.951 31.011 31.823 0.231 0.000 0.638 214 V HN 0.555 nan 8.190 nan 0.000 0.445 215 N N 0.182 118.892 118.700 0.017 0.000 2.061 215 N HA -0.235 4.461 4.740 -0.074 0.000 0.193 215 N C 1.920 177.371 175.510 -0.098 0.000 1.030 215 N CA 1.959 54.978 53.050 -0.051 0.000 0.856 215 N CB -0.419 38.049 38.487 -0.032 0.000 1.023 215 N HN 0.642 nan 8.380 nan 0.000 0.424 216 E N 1.171 121.223 120.200 -0.248 0.000 2.047 216 E HA -0.006 4.299 4.350 -0.074 0.000 0.191 216 E C 2.108 178.669 176.600 -0.066 0.000 0.987 216 E CA 0.797 56.956 56.400 -0.401 0.000 0.799 216 E CB -0.420 28.500 29.700 -1.300 0.000 0.752 216 E HN 0.324 nan 8.360 nan 0.000 0.449 217 L N 0.007 121.262 121.223 0.053 0.000 2.083 217 L HA -0.097 4.198 4.340 -0.074 0.000 0.209 217 L C 2.776 180.049 176.870 0.672 0.000 1.083 217 L CA 1.294 56.353 54.840 0.365 0.000 0.752 217 L CB -0.396 41.886 42.059 0.373 0.000 0.899 217 L HN 0.121 nan 8.230 nan 0.000 0.433 218 R N 0.269 121.010 120.500 0.403 0.000 2.073 218 R HA -0.216 4.080 4.340 -0.074 0.000 0.234 218 R C 2.447 178.810 176.300 0.104 0.000 1.134 218 R CA 1.954 58.094 56.100 0.067 0.000 0.952 218 R CB -0.311 29.682 30.300 -0.512 0.000 0.850 218 R HN 0.339 nan 8.270 nan 0.000 0.433 219 R N -0.134 120.445 120.500 0.132 0.000 2.073 219 R HA -0.161 4.135 4.340 -0.074 0.000 0.229 219 R C 1.933 178.435 176.300 0.337 0.000 1.120 219 R CA 1.484 57.715 56.100 0.218 0.000 0.967 219 R CB -1.150 29.249 30.300 0.164 0.000 0.862 219 R HN 0.348 nan 8.270 nan 0.000 0.436 220 W N 1.726 123.155 121.300 0.215 0.000 2.321 220 W HA -0.022 4.593 4.660 -0.075 0.000 0.306 220 W C 1.980 178.695 176.519 0.326 0.000 1.217 220 W CA 2.523 59.975 57.345 0.180 0.000 1.257 220 W CB -0.846 28.523 29.460 -0.151 0.000 1.145 220 W HN 0.226 nan 8.180 nan 0.000 0.509 221 G N 0.323 109.234 108.800 0.185 0.000 2.513 221 G HA2 -0.369 3.546 3.960 -0.074 0.000 0.219 221 G HA3 -0.369 3.546 3.960 -0.074 0.000 0.219 221 G C 1.292 176.139 174.900 -0.088 0.000 1.160 221 G CA 1.450 46.523 45.100 -0.046 0.000 0.767 221 G HN 0.484 nan 8.290 nan 0.000 0.571 222 E N -0.766 119.445 120.200 0.019 0.000 2.031 222 E HA -0.167 4.138 4.350 -0.074 0.000 0.193 222 E C 2.104 178.722 176.600 0.029 0.000 0.994 222 E CA 1.058 57.469 56.400 0.019 0.000 0.800 222 E CB -0.334 29.418 29.700 0.086 0.000 0.752 222 E HN 0.620 nan 8.360 nan 0.000 0.447 223 W N 1.050 122.323 121.300 -0.044 0.000 2.318 223 W HA -0.321 4.294 4.660 -0.074 0.000 0.313 223 W C 2.244 178.710 176.519 -0.087 0.000 1.221 223 W CA 1.897 59.238 57.345 -0.007 0.000 1.266 223 W CB -0.500 29.063 29.460 0.172 0.000 1.150 223 W HN 0.123 nan 8.180 nan 0.000 0.496 224 Y N 1.396 121.508 120.300 -0.313 0.000 2.145 224 Y HA -0.230 4.275 4.550 -0.074 0.000 0.286 224 Y C 2.575 178.236 175.900 -0.398 0.000 1.145 224 Y CA 2.651 60.438 58.100 -0.521 0.000 1.148 224 Y CB -1.031 36.925 38.460 -0.840 0.000 0.981 224 Y HN -0.105 nan 8.280 nan 0.000 0.507 225 T N 0.899 115.283 114.554 -0.284 0.000 2.674 225 T HA -0.176 4.130 4.350 -0.074 0.000 0.265 225 T C 1.673 176.170 174.700 -0.339 0.000 1.039 225 T CA 1.631 63.542 62.100 -0.315 0.000 1.150 225 T CB -0.321 68.433 68.868 -0.190 0.000 0.864 225 T HN 0.351 nan 8.240 nan 0.000 0.427 226 N N 0.761 119.282 118.700 -0.300 0.000 2.120 226 N HA -0.059 4.636 4.740 -0.074 0.000 0.188 226 N C 2.093 177.388 175.510 -0.358 0.000 1.024 226 N CA 1.240 54.125 53.050 -0.275 0.000 0.852 226 N CB -0.842 37.526 38.487 -0.198 0.000 1.003 226 N HN 0.322 nan 8.380 nan 0.000 0.424 227 T N 1.285 115.494 114.554 -0.575 0.000 2.737 227 T HA 0.058 4.363 4.350 -0.074 0.000 0.265 227 T C 1.821 176.250 174.700 -0.451 0.000 1.038 227 T CA 0.712 62.421 62.100 -0.651 0.000 1.144 227 T CB -0.037 68.058 68.868 -1.288 0.000 0.866 227 T HN 0.138 nan 8.240 nan 0.000 0.434 228 L N 0.749 121.694 121.223 -0.464 0.000 2.607 228 L HA 0.262 4.557 4.340 -0.074 0.000 0.228 228 L C 0.716 177.403 176.870 -0.304 0.000 1.123 228 L CA -0.108 54.512 54.840 -0.367 0.000 0.890 228 L CB -0.247 41.562 42.059 -0.417 0.000 1.103 228 L HN 0.275 nan 8.230 nan 0.000 0.468 229 N N 1.326 119.848 118.700 -0.296 0.000 2.738 229 N HA -0.202 4.493 4.740 -0.074 0.000 0.249 229 N C -0.303 175.066 175.510 -0.235 0.000 1.047 229 N CA 0.419 53.329 53.050 -0.233 0.000 0.707 229 N CB -1.358 37.025 38.487 -0.173 0.000 0.937 229 N HN 0.239 nan 8.380 nan 0.000 0.545 230 L N -0.216 120.828 121.223 -0.298 0.000 2.467 230 L HA 0.088 4.383 4.340 -0.074 0.000 0.270 230 L C 1.460 178.194 176.870 -0.227 0.000 1.205 230 L CA 0.010 54.683 54.840 -0.277 0.000 0.828 230 L CB 0.309 42.129 42.059 -0.398 0.000 1.101 230 L HN 0.174 nan 8.230 nan 0.000 0.479 231 D N 0.640 120.975 120.400 -0.108 0.000 2.392 231 D HA 0.216 4.812 4.640 -0.074 0.000 0.206 231 D C 0.656 176.960 176.300 0.007 0.000 1.046 231 D CA 0.538 54.526 54.000 -0.020 0.000 0.865 231 D CB 1.428 42.274 40.800 0.076 0.000 0.969 231 D HN 0.738 nan 8.370 nan 0.000 0.509 232 G N -0.253 108.504 108.800 -0.071 0.000 2.428 232 G HA2 0.430 4.346 3.960 -0.074 0.000 0.305 232 G HA3 0.430 4.346 3.960 -0.074 0.000 0.305 232 G C -1.970 172.674 174.900 -0.427 0.000 1.260 232 G CA -0.712 44.179 45.100 -0.348 0.000 0.853 232 G HN -0.048 nan 8.290 nan 0.000 0.480 233 F N 0.001 119.915 119.950 -0.060 0.000 2.591 233 F HA 0.699 5.182 4.527 -0.075 0.000 0.309 233 F C -0.055 175.724 175.800 -0.035 0.000 1.098 233 F CA -1.066 56.979 58.000 0.074 0.000 0.937 233 F CB 2.428 41.507 39.000 0.132 0.000 1.250 233 F HN 0.350 nan 8.300 nan 0.000 0.447 234 R N 4.089 124.733 120.500 0.240 0.000 2.265 234 R HA 0.550 4.845 4.340 -0.074 0.000 0.328 234 R C -1.268 175.088 176.300 0.092 0.000 0.969 234 R CA -0.341 55.719 56.100 -0.065 0.000 0.832 234 R CB 0.424 30.256 30.300 -0.779 0.000 1.139 234 R HN 0.764 nan 8.270 nan 0.000 0.457 235 I N 3.551 124.160 120.570 0.064 0.000 2.312 235 I HA 0.109 4.235 4.170 -0.074 0.000 0.291 235 I C 0.352 176.527 176.117 0.098 0.000 1.031 235 I CA -0.635 60.702 61.300 0.061 0.000 1.293 235 I CB 1.102 39.091 38.000 -0.019 0.000 1.403 235 I HN 0.438 nan 8.210 nan 0.000 0.484 236 D N 5.756 126.240 120.400 0.139 0.000 2.351 236 D HA 0.408 5.004 4.640 -0.074 0.000 0.251 236 D C 0.735 177.075 176.300 0.067 0.000 1.137 236 D CA 0.477 54.573 54.000 0.160 0.000 0.879 236 D CB 0.861 41.841 40.800 0.299 0.000 1.181 236 D HN 0.797 nan 8.370 nan 0.000 0.448 237 A N 2.517 125.367 122.820 0.050 0.000 2.869 237 A HA -0.187 4.088 4.320 -0.074 0.000 0.280 237 A C 1.475 179.069 177.584 0.018 0.000 1.458 237 A CA 0.949 53.032 52.037 0.076 0.000 0.776 237 A CB -2.452 16.614 19.000 0.109 0.000 1.028 237 A HN 1.084 nan 8.150 nan 0.000 0.547 238 V N -1.554 118.312 119.914 -0.079 0.000 3.078 238 V HA -0.156 3.920 4.120 -0.074 0.000 0.265 238 V C 1.996 178.008 176.094 -0.137 0.000 1.122 238 V CA 2.317 64.587 62.300 -0.050 0.000 1.141 238 V CB -0.819 30.987 31.823 -0.029 0.000 0.735 238 V HN 0.963 nan 8.190 nan 0.000 0.498 239 K N -0.520 119.536 120.400 -0.574 0.000 2.486 239 K HA -0.035 4.240 4.320 -0.074 0.000 0.194 239 K C 1.418 177.674 176.600 -0.573 0.000 1.033 239 K CA 1.236 57.057 56.287 -0.778 0.000 1.004 239 K CB -0.361 31.121 32.500 -1.697 0.000 0.798 239 K HN 0.644 nan 8.250 nan 0.000 0.495 240 H N 0.162 119.133 119.070 -0.164 0.000 2.755 240 H HA 0.329 4.841 4.556 -0.074 0.000 0.273 240 H C -0.131 175.192 175.328 -0.009 0.000 1.055 240 H CA -0.215 55.760 56.048 -0.123 0.000 1.191 240 H CB 0.534 30.161 29.762 -0.224 0.000 1.536 240 H HN 0.106 nan 8.280 nan 0.000 0.529 241 I N 1.719 122.373 120.570 0.140 0.000 2.406 241 I HA 0.109 4.235 4.170 -0.074 0.000 0.290 241 I C 0.348 176.610 176.117 0.243 0.000 0.999 241 I CA -0.927 60.467 61.300 0.157 0.000 1.124 241 I CB 2.452 40.543 38.000 0.151 0.000 1.289 241 I HN -0.181 nan 8.210 nan 0.000 0.441 242 K N 4.873 125.372 120.400 0.166 0.000 2.434 242 K HA -0.176 4.099 4.320 -0.074 0.000 0.266 242 K C 0.328 177.126 176.600 0.331 0.000 1.096 242 K CA 0.579 56.963 56.287 0.161 0.000 1.182 242 K CB 0.261 32.868 32.500 0.177 0.000 0.813 242 K HN 0.435 nan 8.250 nan 0.000 0.490 243 Y N 1.695 122.051 120.300 0.093 0.000 2.165 243 Y HA -0.254 4.252 4.550 -0.074 0.000 0.286 243 Y C 2.601 178.529 175.900 0.048 0.000 1.155 243 Y CA 1.639 59.790 58.100 0.085 0.000 1.164 243 Y CB -1.025 37.413 38.460 -0.036 0.000 0.978 243 Y HN 0.789 nan 8.280 nan 0.000 0.513 244 S N -0.276 115.553 115.700 0.214 0.000 2.402 244 S HA -0.227 4.198 4.470 -0.074 0.000 0.229 244 S C 1.997 176.699 174.600 0.170 0.000 1.021 244 S CA 0.950 59.234 58.200 0.140 0.000 0.974 244 S CB -1.386 61.884 63.200 0.116 0.000 0.800 244 S HN 0.384 nan 8.310 nan 0.000 0.484 245 F N 3.201 123.222 119.950 0.119 0.000 2.102 245 F HA -0.099 4.384 4.527 -0.074 0.000 0.298 245 F C 2.390 178.287 175.800 0.162 0.000 1.105 245 F CA 2.035 60.111 58.000 0.127 0.000 1.239 245 F CB -1.096 37.964 39.000 0.099 0.000 0.991 245 F HN 0.171 nan 8.300 nan 0.000 0.474 246 T N 1.152 115.794 114.554 0.146 0.000 2.746 246 T HA -0.229 4.077 4.350 -0.074 0.000 0.267 246 T C 2.103 176.812 174.700 0.015 0.000 1.039 246 T CA 1.642 63.766 62.100 0.040 0.000 1.142 246 T CB -0.436 68.558 68.868 0.210 0.000 0.866 246 T HN 0.306 nan 8.240 nan 0.000 0.444 247 R N 1.005 121.528 120.500 0.039 0.000 2.073 247 R HA -0.147 4.148 4.340 -0.074 0.000 0.234 247 R C 1.633 177.937 176.300 0.007 0.000 1.134 247 R CA 1.986 58.104 56.100 0.030 0.000 0.952 247 R CB -0.263 30.033 30.300 -0.007 0.000 0.850 247 R HN 0.273 nan 8.270 nan 0.000 0.433 248 D N -0.770 119.619 120.400 -0.019 0.000 2.194 248 D HA -0.133 4.463 4.640 -0.074 0.000 0.204 248 D C 1.383 177.652 176.300 -0.053 0.000 0.964 248 D CA 0.711 54.696 54.000 -0.025 0.000 0.846 248 D CB -0.429 40.369 40.800 -0.003 0.000 0.962 248 D HN 0.371 nan 8.370 nan 0.000 0.490 249 W N 1.253 122.311 121.300 -0.404 0.000 2.355 249 W HA -0.183 4.432 4.660 -0.074 0.000 0.309 249 W C 1.881 178.301 176.519 -0.166 0.000 1.206 249 W CA 0.882 57.968 57.345 -0.432 0.000 1.284 249 W CB -0.375 28.568 29.460 -0.860 0.000 1.145 249 W HN -0.084 nan 8.180 nan 0.000 0.502 250 L N 0.670 121.878 121.223 -0.025 0.000 2.017 250 L HA -0.182 4.113 4.340 -0.074 0.000 0.208 250 L C 2.518 179.289 176.870 -0.164 0.000 1.073 250 L CA 2.706 57.464 54.840 -0.138 0.000 0.745 250 L CB -1.474 40.586 42.059 0.002 0.000 0.894 250 L HN -0.032 nan 8.230 nan 0.000 0.432 251 T N -1.988 112.515 114.554 -0.084 0.000 2.720 251 T HA -0.285 4.020 4.350 -0.074 0.000 0.268 251 T C 1.786 176.417 174.700 -0.116 0.000 1.037 251 T CA 1.738 63.794 62.100 -0.074 0.000 1.144 251 T CB -0.462 68.389 68.868 -0.029 0.000 0.864 251 T HN 0.562 nan 8.240 nan 0.000 0.444 252 H N 0.846 119.799 119.070 -0.195 0.000 2.289 252 H HA -0.083 4.428 4.556 -0.074 0.000 0.296 252 H C 2.025 177.206 175.328 -0.246 0.000 1.091 252 H CA 1.893 57.819 56.048 -0.203 0.000 1.274 252 H CB -0.569 29.061 29.762 -0.220 0.000 1.364 252 H HN 0.143 nan 8.280 nan 0.000 0.490 253 V N 0.759 120.448 119.914 -0.376 0.000 2.358 253 V HA -0.214 3.862 4.120 -0.074 0.000 0.246 253 V C 2.514 178.433 176.094 -0.292 0.000 1.047 253 V CA 2.209 64.281 62.300 -0.380 0.000 1.035 253 V CB -0.461 31.075 31.823 -0.479 0.000 0.658 253 V HN 0.415 nan 8.190 nan 0.000 0.452 254 R N 0.167 120.526 120.500 -0.235 0.000 2.081 254 R HA -0.137 4.159 4.340 -0.074 0.000 0.235 254 R C 2.238 178.429 176.300 -0.182 0.000 1.131 254 R CA 1.848 57.844 56.100 -0.174 0.000 0.960 254 R CB -0.514 29.712 30.300 -0.123 0.000 0.856 254 R HN 0.612 nan 8.270 nan 0.000 0.436 255 N N 0.155 118.726 118.700 -0.214 0.000 2.043 255 N HA -0.177 4.518 4.740 -0.074 0.000 0.193 255 N C 1.780 177.147 175.510 -0.237 0.000 1.037 255 N CA 1.139 54.067 53.050 -0.204 0.000 0.851 255 N CB -0.063 38.300 38.487 -0.206 0.000 1.027 255 N HN 0.239 nan 8.380 nan 0.000 0.422 256 A N 0.119 122.719 122.820 -0.366 0.000 1.930 256 A HA -0.110 4.166 4.320 -0.074 0.000 0.217 256 A C 2.207 179.679 177.584 -0.186 0.000 1.175 256 A CA 1.940 53.792 52.037 -0.307 0.000 0.627 256 A CB -0.745 17.991 19.000 -0.439 0.000 0.815 256 A HN 0.530 nan 8.150 nan 0.000 0.443 257 T N -4.789 109.655 114.554 -0.184 0.000 3.057 257 T HA 0.376 4.682 4.350 -0.074 0.000 0.254 257 T C 1.473 176.100 174.700 -0.122 0.000 1.094 257 T CA 1.142 63.157 62.100 -0.141 0.000 1.088 257 T CB -0.053 68.722 68.868 -0.154 0.000 0.934 257 T HN 1.667 nan 8.240 nan 0.000 0.497 258 G N 1.417 110.144 108.800 -0.123 0.000 2.153 258 G HA2 -0.248 3.668 3.960 -0.074 0.000 0.252 258 G HA3 -0.248 3.668 3.960 -0.074 0.000 0.252 258 G C -0.096 174.748 174.900 -0.094 0.000 0.994 258 G CA 0.319 45.361 45.100 -0.098 0.000 0.698 258 G HN 0.667 nan 8.290 nan 0.000 0.521 259 K N -0.244 120.089 120.400 -0.112 0.000 2.164 259 K HA 0.359 4.635 4.320 -0.074 0.000 0.258 259 K C 1.160 177.700 176.600 -0.100 0.000 0.951 259 K CA -0.556 55.666 56.287 -0.110 0.000 0.844 259 K CB 1.526 33.940 32.500 -0.143 0.000 1.099 259 K HN 0.141 nan 8.250 nan 0.000 0.435 260 E N 2.754 122.911 120.200 -0.072 0.000 2.097 260 E HA -0.178 4.128 4.350 -0.074 0.000 0.196 260 E C -0.197 176.368 176.600 -0.059 0.000 1.000 260 E CA 1.136 57.509 56.400 -0.045 0.000 0.804 260 E CB 0.140 29.835 29.700 -0.009 0.000 0.740 260 E HN 0.525 nan 8.360 nan 0.000 0.454 261 M N 0.303 119.844 119.600 -0.099 0.000 3.241 261 M HA -0.245 4.191 4.480 -0.074 0.000 0.169 261 M C -0.268 175.975 176.300 -0.095 0.000 1.333 261 M CA 0.478 55.669 55.300 -0.182 0.000 0.838 261 M CB -2.601 29.840 32.600 -0.265 0.000 1.258 261 M HN 0.175 nan 8.290 nan 0.000 0.656 262 F N 1.515 121.362 119.950 -0.171 0.000 2.629 262 F HA 0.338 4.820 4.527 -0.075 0.000 0.369 262 F C 0.554 176.208 175.800 -0.242 0.000 1.125 262 F CA 0.700 58.596 58.000 -0.173 0.000 1.330 262 F CB 0.545 39.436 39.000 -0.182 0.000 1.071 262 F HN 0.589 nan 8.300 nan 0.000 0.595 263 A N 6.087 128.296 122.820 -1.019 0.000 2.449 263 A HA 0.668 4.944 4.320 -0.074 0.000 0.302 263 A C -1.640 175.385 177.584 -0.931 0.000 1.048 263 A CA -0.599 51.039 52.037 -0.666 0.000 0.708 263 A CB 1.692 20.577 19.000 -0.193 0.000 1.274 263 A HN 1.028 nan 8.150 nan 0.000 0.410 264 V N 1.816 121.409 119.914 -0.535 0.000 2.540 264 V HA 0.800 4.876 4.120 -0.074 0.000 0.302 264 V C 0.065 176.029 176.094 -0.217 0.000 1.035 264 V CA 0.039 62.083 62.300 -0.427 0.000 0.873 264 V CB 1.377 32.833 31.823 -0.611 0.000 0.992 264 V HN 1.736 nan 8.190 nan 0.000 0.428 265 A N 4.908 127.716 122.820 -0.021 0.000 2.312 265 A HA 0.655 4.930 4.320 -0.074 0.000 0.326 265 A C -0.021 177.673 177.584 0.184 0.000 1.172 265 A CA -0.538 51.575 52.037 0.126 0.000 0.821 265 A CB 1.027 20.226 19.000 0.332 0.000 1.166 265 A HN 0.876 nan 8.150 nan 0.000 0.493 266 E N 2.699 123.040 120.200 0.235 0.000 1.936 266 E HA 0.172 4.478 4.350 -0.074 0.000 0.267 266 E C -1.756 174.905 176.600 0.102 0.000 1.076 266 E CA -0.184 56.381 56.400 0.275 0.000 0.870 266 E CB 0.144 29.938 29.700 0.156 0.000 1.093 266 E HN 0.448 nan 8.360 nan 0.000 0.411 267 F N 6.024 125.926 119.950 -0.080 0.000 2.309 267 F HA 0.197 4.679 4.527 -0.075 0.000 0.366 267 F C -0.614 175.161 175.800 -0.043 0.000 1.104 267 F CA -0.945 56.914 58.000 -0.235 0.000 1.179 267 F CB 0.345 39.019 39.000 -0.543 0.000 1.437 267 F HN 0.466 nan 8.300 nan 0.000 0.528 268 W N 8.908 130.098 121.300 -0.184 0.000 2.365 268 W HA 0.345 4.962 4.660 -0.071 0.000 0.371 268 W C -1.076 175.458 176.519 0.025 0.000 1.006 268 W CA -0.497 56.837 57.345 -0.018 0.000 1.528 268 W CB 0.429 29.841 29.460 -0.079 0.000 1.497 268 W HN 0.459 nan 8.180 nan 0.000 0.367 269 K N 4.248 124.694 120.400 0.076 0.000 2.565 269 K HA 0.030 4.306 4.320 -0.074 0.000 0.251 269 K C -0.270 176.338 176.600 0.012 0.000 0.956 269 K CA -0.570 55.788 56.287 0.118 0.000 0.809 269 K CB 1.023 33.708 32.500 0.307 0.000 1.267 269 K HN 0.089 nan 8.250 nan 0.000 0.438 270 N N 3.201 121.852 118.700 -0.082 0.000 3.103 270 N HA -0.011 4.685 4.740 -0.074 0.000 0.305 270 N C -1.538 173.944 175.510 -0.047 0.000 1.232 270 N CA 0.414 53.387 53.050 -0.128 0.000 1.190 270 N CB 0.058 38.258 38.487 -0.478 0.000 1.461 270 N HN 0.493 nan 8.380 nan 0.000 0.538 271 D N 1.780 122.186 120.400 0.010 0.000 2.318 271 D HA -0.012 4.583 4.640 -0.074 0.000 0.233 271 D C 0.683 176.991 176.300 0.013 0.000 1.348 271 D CA -0.528 53.487 54.000 0.025 0.000 0.983 271 D CB 0.458 41.293 40.800 0.059 0.000 1.416 271 D HN 0.128 nan 8.370 nan 0.000 0.558 272 L N 3.969 125.201 121.223 0.015 0.000 2.042 272 L HA 0.103 4.399 4.340 -0.074 0.000 0.210 272 L C 2.137 179.004 176.870 -0.004 0.000 1.076 272 L CA 2.825 57.675 54.840 0.016 0.000 0.749 272 L CB -0.683 41.403 42.059 0.045 0.000 0.893 272 L HN 0.528 nan 8.230 nan 0.000 0.432 273 G N -1.013 107.793 108.800 0.010 0.000 2.469 273 G HA2 -0.320 3.596 3.960 -0.074 0.000 0.219 273 G HA3 -0.320 3.596 3.960 -0.074 0.000 0.219 273 G C 1.584 176.459 174.900 -0.041 0.000 1.150 273 G CA 1.016 46.119 45.100 0.005 0.000 0.763 273 G HN 0.672 nan 8.290 nan 0.000 0.561 274 A N 0.242 123.034 122.820 -0.047 0.000 1.930 274 A HA 0.200 4.476 4.320 -0.074 0.000 0.217 274 A C 2.441 179.759 177.584 -0.444 0.000 1.175 274 A CA 1.158 53.136 52.037 -0.100 0.000 0.627 274 A CB -0.327 18.722 19.000 0.082 0.000 0.815 274 A HN 0.350 nan 8.150 nan 0.000 0.443 275 L N -0.590 120.366 121.223 -0.445 0.000 2.056 275 L HA -0.184 4.112 4.340 -0.074 0.000 0.207 275 L C 2.599 179.188 176.870 -0.468 0.000 1.078 275 L CA 1.498 55.985 54.840 -0.588 0.000 0.749 275 L CB -0.507 41.375 42.059 -0.295 0.000 0.901 275 L HN 0.456 nan 8.230 nan 0.000 0.433 276 E N -0.133 119.891 120.200 -0.294 0.000 2.058 276 E HA -0.264 4.042 4.350 -0.074 0.000 0.194 276 E C 1.836 178.213 176.600 -0.371 0.000 0.997 276 E CA 1.434 57.657 56.400 -0.295 0.000 0.801 276 E CB -0.206 29.461 29.700 -0.054 0.000 0.746 276 E HN 0.394 nan 8.360 nan 0.000 0.450 277 N N 0.545 119.092 118.700 -0.256 0.000 2.036 277 N HA -0.247 4.449 4.740 -0.074 0.000 0.195 277 N C 1.718 177.027 175.510 -0.335 0.000 1.037 277 N CA 1.436 54.369 53.050 -0.195 0.000 0.855 277 N CB -0.414 38.041 38.487 -0.053 0.000 1.033 277 N HN 0.207 nan 8.380 nan 0.000 0.423 278 Y N 0.686 120.593 120.300 -0.654 0.000 2.165 278 Y HA -0.112 4.394 4.550 -0.074 0.000 0.286 278 Y C 2.027 177.421 175.900 -0.842 0.000 1.155 278 Y CA 1.568 59.109 58.100 -0.931 0.000 1.164 278 Y CB -0.386 37.324 38.460 -1.249 0.000 0.978 278 Y HN 0.131 nan 8.280 nan 0.000 0.513 279 L N 0.041 120.678 121.223 -0.976 0.000 2.017 279 L HA -0.270 4.025 4.340 -0.074 0.000 0.208 279 L C 2.319 178.225 176.870 -1.605 0.000 1.073 279 L CA 1.427 55.367 54.840 -1.501 0.000 0.745 279 L CB -0.744 40.039 42.059 -2.127 0.000 0.894 279 L HN 0.250 nan 8.230 nan 0.000 0.432 280 N N 0.222 118.233 118.700 -1.148 0.000 2.061 280 N HA -0.202 4.493 4.740 -0.074 0.000 0.193 280 N C 1.825 177.092 175.510 -0.406 0.000 1.030 280 N CA 1.349 54.062 53.050 -0.561 0.000 0.856 280 N CB -0.215 38.146 38.487 -0.209 0.000 1.023 280 N HN 0.107 nan 8.380 nan 0.000 0.424 281 K N 0.020 120.180 120.400 -0.401 0.000 2.283 281 K HA 0.024 4.300 4.320 -0.074 0.000 0.202 281 K C 1.405 177.820 176.600 -0.309 0.000 1.048 281 K CA 0.852 56.995 56.287 -0.240 0.000 0.948 281 K CB -0.481 31.991 32.500 -0.047 0.000 0.742 281 K HN 0.445 nan 8.250 nan 0.000 0.458 282 T N -2.814 111.401 114.554 -0.566 0.000 3.186 282 T HA 0.126 4.432 4.350 -0.074 0.000 0.257 282 T C 0.327 174.830 174.700 -0.329 0.000 1.029 282 T CA -0.199 61.623 62.100 -0.462 0.000 0.916 282 T CB -0.601 67.855 68.868 -0.685 0.000 1.041 282 T HN 0.361 nan 8.240 nan 0.000 0.562 283 N N 0.678 119.200 118.700 -0.296 0.000 2.741 283 N HA -0.229 4.467 4.740 -0.074 0.000 0.250 283 N C -0.776 174.749 175.510 0.025 0.000 1.115 283 N CA 0.599 53.597 53.050 -0.087 0.000 0.724 283 N CB -1.460 37.017 38.487 -0.017 0.000 1.090 283 N HN 0.745 nan 8.380 nan 0.000 0.558 284 W N -1.518 119.618 121.300 -0.273 0.000 4.973 284 W HA -0.246 4.368 4.660 -0.076 0.000 0.350 284 W C 1.061 177.560 176.519 -0.033 0.000 1.280 284 W CA 0.835 58.003 57.345 -0.295 0.000 0.854 284 W CB -2.433 26.802 29.460 -0.376 0.000 2.367 284 W HN 0.519 nan 8.180 nan 0.000 1.511 285 N N 0.776 119.511 118.700 0.058 0.000 2.398 285 N HA -0.060 4.635 4.740 -0.074 0.000 0.188 285 N C 0.486 176.101 175.510 0.174 0.000 1.122 285 N CA 1.536 54.669 53.050 0.139 0.000 0.866 285 N CB -0.243 38.310 38.487 0.110 0.000 0.970 285 N HN 0.515 nan 8.380 nan 0.000 0.462 286 H N -4.183 114.897 119.070 0.018 0.000 2.932 286 H HA 0.484 4.995 4.556 -0.074 0.000 0.307 286 H C -1.470 173.845 175.328 -0.023 0.000 1.391 286 H CA -0.809 55.176 56.048 -0.105 0.000 1.130 286 H CB 0.271 29.932 29.762 -0.168 0.000 1.836 286 H HN -0.118 nan 8.280 nan 0.000 0.522 287 S N 0.220 115.843 115.700 -0.129 0.000 2.672 287 S HA 0.538 4.963 4.470 -0.074 0.000 0.276 287 S C 0.282 174.838 174.600 -0.073 0.000 1.207 287 S CA -0.268 57.896 58.200 -0.060 0.000 1.002 287 S CB 1.476 64.668 63.200 -0.015 0.000 0.998 287 S HN 0.618 nan 8.310 nan 0.000 0.542 288 V N -0.437 119.453 119.914 -0.040 0.000 2.864 288 V HA 0.692 4.768 4.120 -0.074 0.000 0.314 288 V C -0.853 175.209 176.094 -0.054 0.000 1.073 288 V CA -1.113 61.161 62.300 -0.043 0.000 0.956 288 V CB 0.709 32.529 31.823 -0.006 0.000 1.023 288 V HN 0.662 nan 8.190 nan 0.000 0.435 289 F N 1.391 121.370 119.950 0.049 0.000 2.518 289 F HA 0.258 4.740 4.527 -0.075 0.000 0.359 289 F C 1.117 177.033 175.800 0.195 0.000 1.118 289 F CA 0.301 58.351 58.000 0.083 0.000 1.287 289 F CB 0.288 39.172 39.000 -0.192 0.000 1.132 289 F HN 0.651 nan 8.300 nan 0.000 0.587 290 D N 3.264 123.959 120.400 0.493 0.000 2.498 290 D HA 0.084 4.680 4.640 -0.074 0.000 0.229 290 D C 0.965 177.429 176.300 0.272 0.000 1.188 290 D CA 0.215 54.394 54.000 0.298 0.000 1.028 290 D CB 0.445 41.368 40.800 0.204 0.000 1.087 290 D HN 0.293 nan 8.370 nan 0.000 0.510 291 V N 4.801 124.824 119.914 0.182 0.000 2.379 291 V HA -0.110 3.965 4.120 -0.074 0.000 0.245 291 V C -0.752 175.361 176.094 0.032 0.000 1.044 291 V CA 1.172 63.451 62.300 -0.036 0.000 1.036 291 V CB -0.938 30.663 31.823 -0.371 0.000 0.664 291 V HN 0.434 nan 8.190 nan 0.000 0.453 292 P HA -0.177 nan 4.420 nan 0.000 0.216 292 P C 1.937 179.277 177.300 0.066 0.000 1.153 292 P CA 1.260 64.420 63.100 0.100 0.000 0.858 292 P CB -0.076 31.662 31.700 0.063 0.000 0.789 293 L N -0.769 120.462 121.223 0.013 0.000 2.042 293 L HA -0.201 4.095 4.340 -0.074 0.000 0.210 293 L C 2.468 179.243 176.870 -0.158 0.000 1.076 293 L CA 2.025 56.839 54.840 -0.044 0.000 0.749 293 L CB -1.594 40.441 42.059 -0.041 0.000 0.893 293 L HN 0.025 nan 8.230 nan 0.000 0.432 294 H N -1.663 117.167 119.070 -0.400 0.000 2.319 294 H HA -0.273 4.241 4.556 -0.071 0.000 0.297 294 H C 1.937 177.033 175.328 -0.387 0.000 1.097 294 H CA 2.646 58.322 56.048 -0.620 0.000 1.285 294 H CB -0.552 28.619 29.762 -0.985 0.000 1.368 294 H HN 0.469 nan 8.280 nan 0.000 0.495 295 Y N 0.418 120.494 120.300 -0.373 0.000 2.200 295 Y HA -0.170 4.333 4.550 -0.077 0.000 0.290 295 Y C 2.532 178.330 175.900 -0.171 0.000 1.137 295 Y CA 1.406 59.355 58.100 -0.253 0.000 1.163 295 Y CB -0.516 37.907 38.460 -0.061 0.000 0.988 295 Y HN 0.308 nan 8.280 nan 0.000 0.518 296 N N 0.211 118.915 118.700 0.007 0.000 2.060 296 N HA -0.207 4.489 4.740 -0.074 0.000 0.195 296 N C 1.900 177.206 175.510 -0.339 0.000 1.028 296 N CA 1.522 54.538 53.050 -0.057 0.000 0.861 296 N CB -0.804 37.703 38.487 0.034 0.000 1.029 296 N HN 0.301 nan 8.380 nan 0.000 0.428 297 L N -0.682 120.352 121.223 -0.315 0.000 2.017 297 L HA -0.212 4.083 4.340 -0.074 0.000 0.208 297 L C 2.301 178.834 176.870 -0.562 0.000 1.073 297 L CA 1.299 55.909 54.840 -0.384 0.000 0.745 297 L CB -0.581 41.343 42.059 -0.225 0.000 0.894 297 L HN 0.200 nan 8.230 nan 0.000 0.432 298 Y N 1.424 121.369 120.300 -0.591 0.000 2.097 298 Y HA -0.280 4.228 4.550 -0.071 0.000 0.282 298 Y C 2.533 178.200 175.900 -0.389 0.000 1.152 298 Y CA 1.734 59.542 58.100 -0.487 0.000 1.136 298 Y CB -0.458 37.695 38.460 -0.511 0.000 0.975 298 Y HN 0.192 nan 8.280 nan 0.000 0.498 299 N N 0.685 119.129 118.700 -0.425 0.000 2.061 299 N HA -0.225 4.470 4.740 -0.074 0.000 0.193 299 N C 2.061 177.278 175.510 -0.490 0.000 1.030 299 N CA 1.772 54.589 53.050 -0.389 0.000 0.856 299 N CB -1.005 37.453 38.487 -0.049 0.000 1.023 299 N HN 0.550 nan 8.380 nan 0.000 0.424 300 A N 0.839 123.104 122.820 -0.925 0.000 1.892 300 A HA -0.199 4.076 4.320 -0.074 0.000 0.218 300 A C 2.411 179.451 177.584 -0.906 0.000 1.188 300 A CA 2.537 53.857 52.037 -1.194 0.000 0.631 300 A CB -1.020 16.995 19.000 -1.643 0.000 0.822 300 A HN 0.505 nan 8.150 nan 0.000 0.447 301 S N -0.182 114.801 115.700 -1.194 0.000 2.447 301 S HA -0.104 4.321 4.470 -0.074 0.000 0.233 301 S C 1.283 175.833 174.600 -0.084 0.000 1.006 301 S CA 1.263 58.961 58.200 -0.838 0.000 0.957 301 S CB -0.481 62.264 63.200 -0.758 0.000 0.773 301 S HN 0.560 nan 8.310 nan 0.000 0.507 302 N N 0.974 119.533 118.700 -0.235 0.000 2.336 302 N HA 0.238 4.934 4.740 -0.074 0.000 0.189 302 N C 0.618 176.125 175.510 -0.004 0.000 1.113 302 N CA 0.382 53.364 53.050 -0.114 0.000 0.858 302 N CB 0.193 38.480 38.487 -0.334 0.000 0.970 302 N HN 0.387 nan 8.380 nan 0.000 0.471 303 S N -0.598 115.133 115.700 0.052 0.000 2.556 303 S HA 0.194 4.620 4.470 -0.074 0.000 0.216 303 S C 1.292 175.956 174.600 0.106 0.000 0.970 303 S CA 0.230 58.486 58.200 0.094 0.000 0.912 303 S CB 0.274 63.575 63.200 0.168 0.000 0.790 303 S HN 0.503 nan 8.310 nan 0.000 0.504 304 G N 1.165 110.028 108.800 0.105 0.000 2.203 304 G HA2 -0.149 3.767 3.960 -0.074 0.000 0.263 304 G HA3 -0.149 3.767 3.960 -0.074 0.000 0.263 304 G C 0.925 175.810 174.900 -0.025 0.000 1.012 304 G CA 0.334 45.414 45.100 -0.033 0.000 0.749 304 G HN 1.314 nan 8.290 nan 0.000 0.512 305 G N -1.260 107.607 108.800 0.111 0.000 2.176 305 G HA2 -0.292 3.623 3.960 -0.074 0.000 0.232 305 G HA3 -0.292 3.623 3.960 -0.074 0.000 0.232 305 G C 0.840 175.849 174.900 0.182 0.000 0.986 305 G CA 0.816 46.011 45.100 0.159 0.000 0.643 305 G HN 0.786 nan 8.290 nan 0.000 0.522 306 N N -0.499 118.296 118.700 0.158 0.000 2.467 306 N HA 0.111 4.807 4.740 -0.074 0.000 0.184 306 N C 0.606 176.209 175.510 0.154 0.000 1.106 306 N CA 0.003 53.130 53.050 0.129 0.000 0.892 306 N CB -0.033 38.501 38.487 0.077 0.000 0.969 306 N HN 0.597 nan 8.380 nan 0.000 0.454 307 Y N 1.775 122.124 120.300 0.081 0.000 2.497 307 Y HA -0.010 4.519 4.550 -0.035 0.000 0.334 307 Y C 0.468 176.431 175.900 0.104 0.000 1.199 307 Y CA -0.273 57.867 58.100 0.067 0.000 1.425 307 Y CB 0.527 39.012 38.460 0.042 0.000 1.291 307 Y HN -0.100 nan 8.280 nan 0.000 0.562 308 D N 6.263 126.515 120.400 -0.248 0.000 2.402 308 D HA 0.030 4.626 4.640 -0.074 0.000 0.235 308 D C 0.785 177.181 176.300 0.159 0.000 1.226 308 D CA 0.009 53.988 54.000 -0.036 0.000 0.918 308 D CB 0.471 41.195 40.800 -0.126 0.000 1.043 308 D HN 0.627 nan 8.370 nan 0.000 0.506 309 M N 2.442 122.245 119.600 0.338 0.000 2.279 309 M HA -0.120 4.315 4.480 -0.074 0.000 0.264 309 M C 1.874 178.408 176.300 0.390 0.000 1.062 309 M CA 0.617 56.170 55.300 0.421 0.000 1.099 309 M CB -0.919 31.865 32.600 0.307 0.000 1.394 309 M HN 0.467 nan 8.290 nan 0.000 0.426 310 A N 0.244 123.256 122.820 0.319 0.000 2.125 310 A HA -0.133 4.142 4.320 -0.074 0.000 0.219 310 A C 1.919 179.733 177.584 0.383 0.000 1.156 310 A CA 1.282 53.554 52.037 0.393 0.000 0.671 310 A CB -0.406 18.764 19.000 0.283 0.000 0.794 310 A HN 0.504 nan 8.150 nan 0.000 0.459 311 K N -0.808 119.760 120.400 0.281 0.000 2.440 311 K HA 0.261 4.537 4.320 -0.074 0.000 0.206 311 K C 0.909 177.687 176.600 0.297 0.000 1.025 311 K CA -0.325 56.079 56.287 0.194 0.000 1.135 311 K CB 0.205 32.729 32.500 0.039 0.000 0.856 311 K HN 0.291 nan 8.250 nan 0.000 0.502 312 L N 0.807 122.299 121.223 0.448 0.000 2.141 312 L HA -0.065 4.230 4.340 -0.074 0.000 0.209 312 L C 1.395 178.419 176.870 0.258 0.000 1.094 312 L CA 1.717 56.823 54.840 0.444 0.000 0.763 312 L CB 0.010 42.341 42.059 0.453 0.000 0.908 312 L HN 0.216 nan 8.230 nan 0.000 0.437 313 L N -0.973 120.355 121.223 0.175 0.000 2.567 313 L HA 0.096 4.391 4.340 -0.074 0.000 0.225 313 L C 0.283 177.156 176.870 0.005 0.000 1.119 313 L CA -0.418 54.438 54.840 0.025 0.000 0.871 313 L CB -0.487 41.483 42.059 -0.150 0.000 1.036 313 L HN 0.169 nan 8.230 nan 0.000 0.459 314 N N 1.153 119.879 118.700 0.044 0.000 2.458 314 N HA 0.154 4.849 4.740 -0.074 0.000 0.258 314 N C 1.203 176.734 175.510 0.036 0.000 1.219 314 N CA 1.200 54.266 53.050 0.026 0.000 0.902 314 N CB 0.726 39.237 38.487 0.040 0.000 1.076 314 N HN 0.268 nan 8.380 nan 0.000 0.455 315 G N 0.220 109.030 108.800 0.016 0.000 2.155 315 G HA2 -0.283 3.633 3.960 -0.074 0.000 0.257 315 G HA3 -0.283 3.633 3.960 -0.074 0.000 0.257 315 G C 0.246 175.166 174.900 0.033 0.000 0.983 315 G CA 0.904 46.019 45.100 0.026 0.000 0.676 315 G HN 0.884 nan 8.290 nan 0.000 0.528 316 T N -3.181 111.388 114.554 0.025 0.000 2.943 316 T HA 0.658 4.963 4.350 -0.074 0.000 0.284 316 T C 1.472 176.201 174.700 0.049 0.000 1.015 316 T CA 0.019 62.142 62.100 0.038 0.000 1.042 316 T CB 2.173 71.058 68.868 0.028 0.000 1.055 316 T HN 0.515 nan 8.240 nan 0.000 0.500 317 V N 2.155 122.122 119.914 0.089 0.000 2.343 317 V HA -0.121 3.955 4.120 -0.074 0.000 0.247 317 V C 2.723 178.888 176.094 0.119 0.000 1.051 317 V CA 1.760 64.150 62.300 0.149 0.000 1.036 317 V CB -0.866 31.056 31.823 0.166 0.000 0.654 317 V HN 0.802 nan 8.190 nan 0.000 0.451 318 V N -0.512 119.448 119.914 0.077 0.000 2.809 318 V HA -0.228 3.848 4.120 -0.074 0.000 0.256 318 V C 2.293 178.375 176.094 -0.020 0.000 1.080 318 V CA 2.277 64.606 62.300 0.049 0.000 1.102 318 V CB 0.027 31.872 31.823 0.036 0.000 0.705 318 V HN 0.672 nan 8.190 nan 0.000 0.475 319 Q N -0.577 119.192 119.800 -0.050 0.000 2.163 319 Q HA -0.157 4.139 4.340 -0.074 0.000 0.198 319 Q C 2.296 178.211 176.000 -0.142 0.000 0.954 319 Q CA 1.476 57.214 55.803 -0.109 0.000 0.851 319 Q CB 0.051 28.722 28.738 -0.112 0.000 0.928 319 Q HN 0.612 nan 8.270 nan 0.000 0.459 320 K N -1.151 119.141 120.400 -0.180 0.000 2.244 320 K HA 0.011 4.287 4.320 -0.074 0.000 0.200 320 K C -0.018 176.213 176.600 -0.615 0.000 1.052 320 K CA 0.398 56.438 56.287 -0.412 0.000 0.980 320 K CB 0.576 32.781 32.500 -0.492 0.000 0.838 320 K HN 0.224 nan 8.250 nan 0.000 0.481 321 H N 0.221 119.325 119.070 0.058 0.000 2.379 321 H HA 0.173 4.686 4.556 -0.072 0.000 0.229 321 H C -2.249 173.165 175.328 0.143 0.000 1.423 321 H CA -1.620 54.491 56.048 0.106 0.000 1.375 321 H CB 1.350 31.247 29.762 0.226 0.000 1.592 321 H HN 0.166 nan 8.280 nan 0.000 0.507 322 P HA -0.107 nan 4.420 nan 0.000 0.221 322 P C 1.565 178.946 177.300 0.136 0.000 1.150 322 P CA 0.707 63.874 63.100 0.110 0.000 0.800 322 P CB 0.398 32.116 31.700 0.029 0.000 0.787 323 M N -1.116 118.567 119.600 0.139 0.000 2.476 323 M HA -0.065 4.370 4.480 -0.074 0.000 0.262 323 M C 0.797 177.077 176.300 -0.033 0.000 1.079 323 M CA 1.472 56.801 55.300 0.049 0.000 1.104 323 M CB -1.584 31.017 32.600 0.002 0.000 1.409 323 M HN 0.123 nan 8.290 nan 0.000 0.467 324 H N -1.226 117.961 119.070 0.196 0.000 2.528 324 H HA 0.535 5.046 4.556 -0.075 0.000 0.282 324 H C -0.014 175.411 175.328 0.162 0.000 1.097 324 H CA -0.164 56.002 56.048 0.197 0.000 1.121 324 H CB 0.388 30.323 29.762 0.287 0.000 1.590 324 H HN 0.181 nan 8.280 nan 0.000 0.553 325 A N 0.921 123.890 122.820 0.248 0.000 2.318 325 A HA 0.575 4.851 4.320 -0.074 0.000 0.324 325 A C -0.655 177.054 177.584 0.208 0.000 1.170 325 A CA -0.586 51.573 52.037 0.204 0.000 0.810 325 A CB 0.858 19.972 19.000 0.189 0.000 1.198 325 A HN 0.133 nan 8.150 nan 0.000 0.484 326 V N 3.229 123.232 119.914 0.147 0.000 2.350 326 V HA 0.434 4.510 4.120 -0.074 0.000 0.276 326 V C 0.536 176.821 176.094 0.317 0.000 1.028 326 V CA -0.189 62.197 62.300 0.143 0.000 0.860 326 V CB 1.366 33.096 31.823 -0.156 0.000 0.990 326 V HN 1.021 nan 8.190 nan 0.000 0.453 327 T N 3.238 117.974 114.554 0.304 0.000 2.882 327 T HA 0.802 5.107 4.350 -0.074 0.000 0.287 327 T C -0.685 174.263 174.700 0.414 0.000 0.992 327 T CA -0.462 61.823 62.100 0.308 0.000 1.076 327 T CB 1.201 70.160 68.868 0.152 0.000 0.961 327 T HN 0.604 nan 8.240 nan 0.000 0.490 328 F N -0.092 119.930 119.950 0.120 0.000 2.654 328 F HA 0.697 5.182 4.527 -0.070 0.000 0.308 328 F C -0.206 175.562 175.800 -0.053 0.000 1.108 328 F CA -1.599 56.448 58.000 0.078 0.000 0.957 328 F CB 0.553 39.643 39.000 0.150 0.000 1.309 328 F HN 0.265 nan 8.300 nan 0.000 0.446 329 V N -0.219 119.546 119.914 -0.248 0.000 2.436 329 V HA 0.176 4.252 4.120 -0.074 0.000 0.240 329 V C -0.005 175.960 176.094 -0.216 0.000 1.040 329 V CA 1.218 63.274 62.300 -0.407 0.000 1.052 329 V CB -0.340 31.058 31.823 -0.708 0.000 0.707 329 V HN 0.817 nan 8.190 nan 0.000 0.469 330 D N -0.624 119.777 120.400 0.001 0.000 2.583 330 D HA 0.413 5.009 4.640 -0.074 0.000 0.248 330 D C -1.140 174.995 176.300 -0.274 0.000 1.209 330 D CA -0.259 53.727 54.000 -0.022 0.000 0.848 330 D CB 2.685 43.501 40.800 0.026 0.000 1.431 330 D HN 0.363 nan 8.370 nan 0.000 0.436 331 N N -1.396 116.945 118.700 -0.598 0.000 3.278 331 N HA 0.057 4.753 4.740 -0.074 0.000 0.307 331 N C 0.773 175.708 175.510 -0.959 0.000 1.551 331 N CA -0.392 51.990 53.050 -1.113 0.000 0.794 331 N CB 0.192 38.312 38.487 -0.612 0.000 1.770 331 N HN 0.408 nan 8.380 nan 0.000 0.612 332 H N -1.485 117.231 119.070 -0.590 0.000 2.521 332 H HA 0.112 4.624 4.556 -0.073 0.000 0.286 332 H C -0.312 174.838 175.328 -0.296 0.000 1.034 332 H CA 0.908 56.861 56.048 -0.158 0.000 1.278 332 H CB -0.098 29.761 29.762 0.162 0.000 1.386 332 H HN 0.500 nan 8.280 nan 0.000 0.567 333 D N 1.009 120.831 120.400 -0.964 0.000 2.213 333 D HA -0.085 4.510 4.640 -0.074 0.000 0.205 333 D C 2.085 177.949 176.300 -0.726 0.000 0.961 333 D CA 1.530 54.944 54.000 -0.977 0.000 0.853 333 D CB 0.126 40.080 40.800 -1.411 0.000 0.967 333 D HN 0.543 nan 8.370 nan 0.000 0.496 334 S N 0.199 115.565 115.700 -0.558 0.000 2.548 334 S HA -0.042 4.384 4.470 -0.074 0.000 0.215 334 S C 1.013 175.594 174.600 -0.031 0.000 0.976 334 S CA -0.415 57.638 58.200 -0.244 0.000 0.908 334 S CB -0.143 62.962 63.200 -0.158 0.000 0.781 334 S HN 0.292 nan 8.310 nan 0.000 0.519 335 Q N 1.351 121.091 119.800 -0.100 0.000 2.492 335 Q HA 0.344 4.639 4.340 -0.074 0.000 0.238 335 Q C -2.817 172.952 176.000 -0.385 0.000 1.045 335 Q CA -1.884 53.790 55.803 -0.216 0.000 0.934 335 Q CB -0.675 28.028 28.738 -0.059 0.000 1.276 335 Q HN 0.081 nan 8.270 nan 0.000 0.521 336 P HA 0.031 nan 4.420 nan 0.000 0.263 336 P C 0.309 177.361 177.300 -0.414 0.000 1.195 336 P CA 1.461 64.304 63.100 -0.429 0.000 0.762 336 P CB 0.492 31.938 31.700 -0.424 0.000 0.799 337 G N 1.593 110.279 108.800 -0.191 0.000 2.213 337 G HA2 -0.183 3.732 3.960 -0.074 0.000 0.236 337 G HA3 -0.183 3.732 3.960 -0.074 0.000 0.236 337 G C 0.310 175.122 174.900 -0.145 0.000 0.991 337 G CA -0.268 44.778 45.100 -0.090 0.000 0.629 337 G HN 0.466 nan 8.290 nan 0.000 0.517 338 E N 0.614 120.659 120.200 -0.257 0.000 2.359 338 E HA 0.521 4.827 4.350 -0.074 0.000 0.255 338 E C 1.929 178.322 176.600 -0.345 0.000 1.191 338 E CA 0.216 56.377 56.400 -0.398 0.000 0.952 338 E CB 0.635 29.998 29.700 -0.562 0.000 1.152 338 E HN 0.406 nan 8.360 nan 0.000 0.496 339 S N -0.208 115.237 115.700 -0.426 0.000 2.400 339 S HA -0.129 4.297 4.470 -0.074 0.000 0.232 339 S C 1.329 175.763 174.600 -0.276 0.000 1.025 339 S CA 1.031 59.036 58.200 -0.325 0.000 0.993 339 S CB -0.101 62.883 63.200 -0.360 0.000 0.808 339 S HN 0.427 nan 8.310 nan 0.000 0.478 340 L N 1.138 122.142 121.223 -0.366 0.000 3.218 340 L HA 0.390 4.685 4.340 -0.074 0.000 0.279 340 L C 0.312 177.081 176.870 -0.168 0.000 1.287 340 L CA -0.308 54.362 54.840 -0.283 0.000 1.024 340 L CB 0.183 41.858 42.059 -0.640 0.000 1.409 340 L HN 0.278 nan 8.230 nan 0.000 0.580 341 E N 2.087 122.192 120.200 -0.158 0.000 2.694 341 E HA -0.067 4.239 4.350 -0.074 0.000 0.250 341 E C -0.036 176.496 176.600 -0.113 0.000 0.963 341 E CA 0.601 56.931 56.400 -0.115 0.000 0.949 341 E CB 0.421 30.072 29.700 -0.083 0.000 0.911 341 E HN 0.379 nan 8.360 nan 0.000 0.500 342 S N 4.161 119.752 115.700 -0.183 0.000 2.552 342 S HA 0.093 4.519 4.470 -0.074 0.000 0.183 342 S C -0.674 173.669 174.600 -0.427 0.000 0.841 342 S CA -0.777 56.953 58.200 -0.783 0.000 1.048 342 S CB -0.540 62.220 63.200 -0.732 0.000 1.714 342 S HN 0.349 nan 8.310 nan 0.000 0.488 343 F N 2.615 122.480 119.950 -0.142 0.000 2.504 343 F HA 0.415 4.899 4.527 -0.072 0.000 0.369 343 F C 0.522 176.454 175.800 0.220 0.000 1.082 343 F CA -0.549 57.502 58.000 0.084 0.000 1.216 343 F CB 0.844 39.907 39.000 0.106 0.000 1.108 343 F HN 0.262 nan 8.300 nan 0.000 0.554 344 V N 6.918 126.740 119.914 -0.154 0.000 2.529 344 V HA -0.044 4.032 4.120 -0.074 0.000 0.292 344 V C 0.363 176.372 176.094 -0.142 0.000 1.028 344 V CA -0.298 61.924 62.300 -0.130 0.000 1.074 344 V CB 0.239 31.935 31.823 -0.211 0.000 0.958 344 V HN 0.642 nan 8.190 nan 0.000 0.481 345 Q N 3.187 122.956 119.800 -0.052 0.000 2.361 345 Q HA -0.001 4.294 4.340 -0.074 0.000 0.276 345 Q C 1.319 177.293 176.000 -0.044 0.000 1.022 345 Q CA 0.046 55.876 55.803 0.043 0.000 0.898 345 Q CB 0.881 29.724 28.738 0.175 0.000 1.246 345 Q HN 0.799 nan 8.270 nan 0.000 0.410 346 E N 3.492 123.762 120.200 0.116 0.000 2.070 346 E HA -0.225 4.081 4.350 -0.074 0.000 0.197 346 E C 1.624 178.285 176.600 0.101 0.000 1.004 346 E CA 1.863 58.332 56.400 0.116 0.000 0.805 346 E CB -0.083 29.730 29.700 0.187 0.000 0.744 346 E HN 0.872 nan 8.360 nan 0.000 0.451 347 W N -0.098 121.266 121.300 0.106 0.000 2.350 347 W HA -0.217 4.392 4.660 -0.085 0.000 0.289 347 W C 1.586 178.169 176.519 0.107 0.000 1.215 347 W CA 0.421 57.821 57.345 0.092 0.000 1.236 347 W CB -1.087 28.428 29.460 0.093 0.000 1.130 347 W HN 0.096 nan 8.180 nan 0.000 0.541 348 F N 2.215 121.537 119.950 -1.047 0.000 2.664 348 F HA 0.138 4.617 4.527 -0.081 0.000 0.296 348 F C 2.583 178.098 175.800 -0.474 0.000 1.125 348 F CA 1.197 58.543 58.000 -1.091 0.000 1.444 348 F CB -0.336 37.749 39.000 -1.525 0.000 1.114 348 F HN -0.260 nan 8.300 nan 0.000 0.576 349 K N 0.863 121.142 120.400 -0.202 0.000 2.074 349 K HA -0.158 4.118 4.320 -0.074 0.000 0.209 349 K C -0.903 175.692 176.600 -0.008 0.000 1.048 349 K CA 1.983 58.230 56.287 -0.068 0.000 0.926 349 K CB -1.096 31.418 32.500 0.024 0.000 0.713 349 K HN 0.148 nan 8.250 nan 0.000 0.444 350 P HA -0.145 nan 4.420 nan 0.000 0.215 350 P C 0.899 178.125 177.300 -0.123 0.000 1.153 350 P CA 1.093 64.172 63.100 -0.034 0.000 0.853 350 P CB 0.083 31.742 31.700 -0.069 0.000 0.788 351 L N -0.680 120.330 121.223 -0.355 0.000 2.046 351 L HA -0.133 4.162 4.340 -0.074 0.000 0.208 351 L C 2.531 179.178 176.870 -0.372 0.000 1.077 351 L CA 2.080 56.635 54.840 -0.475 0.000 0.747 351 L CB -1.808 39.675 42.059 -0.961 0.000 0.896 351 L HN -0.093 nan 8.230 nan 0.000 0.432 352 A N -1.416 121.142 122.820 -0.436 0.000 1.877 352 A HA -0.227 4.048 4.320 -0.074 0.000 0.216 352 A C 2.216 179.704 177.584 -0.160 0.000 1.186 352 A CA 1.533 53.440 52.037 -0.218 0.000 0.620 352 A CB -0.944 17.947 19.000 -0.182 0.000 0.822 352 A HN 0.385 nan 8.150 nan 0.000 0.443 353 Y N -0.075 120.195 120.300 -0.051 0.000 2.242 353 Y HA -0.069 4.438 4.550 -0.072 0.000 0.291 353 Y C 2.905 178.827 175.900 0.037 0.000 1.137 353 Y CA 0.863 58.967 58.100 0.006 0.000 1.181 353 Y CB -0.518 37.945 38.460 0.005 0.000 0.989 353 Y HN 0.331 nan 8.280 nan 0.000 0.527 354 A N -0.368 122.549 122.820 0.162 0.000 1.933 354 A HA -0.191 4.085 4.320 -0.074 0.000 0.218 354 A C 2.196 179.994 177.584 0.356 0.000 1.175 354 A CA 1.622 53.770 52.037 0.185 0.000 0.628 354 A CB -1.046 17.994 19.000 0.067 0.000 0.814 354 A HN 0.454 nan 8.150 nan 0.000 0.444 355 L N 0.416 121.814 121.223 0.291 0.000 2.046 355 L HA -0.120 4.176 4.340 -0.074 0.000 0.208 355 L C 2.300 179.202 176.870 0.053 0.000 1.077 355 L CA 2.279 57.262 54.840 0.237 0.000 0.747 355 L CB -0.355 41.790 42.059 0.143 0.000 0.896 355 L HN 0.604 nan 8.230 nan 0.000 0.432 356 I N -4.073 116.534 120.570 0.062 0.000 2.716 356 I HA -0.080 4.046 4.170 -0.074 0.000 0.259 356 I C 1.829 178.002 176.117 0.094 0.000 1.172 356 I CA 0.986 62.316 61.300 0.050 0.000 1.478 356 I CB -0.248 37.775 38.000 0.038 0.000 1.104 356 I HN 0.162 nan 8.210 nan 0.000 0.439 357 L N 1.234 122.543 121.223 0.143 0.000 2.298 357 L HA 0.055 4.351 4.340 -0.074 0.000 0.209 357 L C 2.389 179.324 176.870 0.108 0.000 1.084 357 L CA 1.320 56.241 54.840 0.136 0.000 0.816 357 L CB -0.318 41.841 42.059 0.165 0.000 0.967 357 L HN 0.418 nan 8.230 nan 0.000 0.460 358 T N -3.490 111.175 114.554 0.184 0.000 3.069 358 T HA 0.202 4.508 4.350 -0.074 0.000 0.252 358 T C 0.871 175.702 174.700 0.218 0.000 1.053 358 T CA -0.373 61.873 62.100 0.242 0.000 0.964 358 T CB 0.172 69.259 68.868 0.365 0.000 1.005 358 T HN 0.054 nan 8.240 nan 0.000 0.532 359 R N 1.497 121.991 120.500 -0.009 0.000 2.536 359 R HA 0.369 4.665 4.340 -0.074 0.000 0.279 359 R C 1.335 177.563 176.300 -0.119 0.000 1.001 359 R CA -0.349 55.621 56.100 -0.218 0.000 1.027 359 R CB 0.997 31.004 30.300 -0.488 0.000 1.096 359 R HN 0.507 nan 8.270 nan 0.000 0.502 360 E N 0.848 120.980 120.200 -0.113 0.000 2.358 360 E HA -0.106 4.200 4.350 -0.074 0.000 0.195 360 E C -0.369 176.189 176.600 -0.070 0.000 1.010 360 E CA 0.633 56.983 56.400 -0.084 0.000 0.856 360 E CB 0.254 29.915 29.700 -0.064 0.000 0.795 360 E HN 0.377 nan 8.360 nan 0.000 0.504 361 Q N 0.844 120.594 119.800 -0.083 0.000 2.243 361 Q HA 0.499 4.795 4.340 -0.074 0.000 0.252 361 Q C 0.059 176.054 176.000 -0.008 0.000 0.909 361 Q CA 0.579 56.350 55.803 -0.052 0.000 0.922 361 Q CB 1.906 30.596 28.738 -0.080 0.000 1.215 361 Q HN 0.363 nan 8.270 nan 0.000 0.427 362 G N 0.929 109.754 108.800 0.041 0.000 2.758 362 G HA2 -0.227 3.688 3.960 -0.074 0.000 0.686 362 G HA3 -0.227 3.688 3.960 -0.074 0.000 0.686 362 G C -1.907 173.102 174.900 0.181 0.000 1.389 362 G CA -0.817 44.351 45.100 0.113 0.000 0.845 362 G HN 0.484 nan 8.290 nan 0.000 0.572 363 Y N 3.134 123.477 120.300 0.071 0.000 2.478 363 Y HA 0.598 5.103 4.550 -0.075 0.000 0.329 363 Y C -2.037 173.939 175.900 0.127 0.000 0.967 363 Y CA -3.081 55.058 58.100 0.066 0.000 1.255 363 Y CB 1.478 39.967 38.460 0.048 0.000 1.103 363 Y HN 0.538 nan 8.280 nan 0.000 0.497 364 P HA 0.181 nan 4.420 nan 0.000 0.278 364 P C -0.744 176.666 177.300 0.184 0.000 1.238 364 P CA -0.163 63.067 63.100 0.217 0.000 0.794 364 P CB 1.825 33.647 31.700 0.203 0.000 0.955 365 S N 1.364 117.225 115.700 0.269 0.000 2.521 365 S HA 0.466 4.892 4.470 -0.074 0.000 0.295 365 S C -0.827 174.023 174.600 0.417 0.000 1.098 365 S CA -0.672 57.724 58.200 0.327 0.000 0.999 365 S CB 0.654 64.135 63.200 0.468 0.000 1.034 365 S HN 0.157 nan 8.310 nan 0.000 0.483 366 V N 5.483 125.614 119.914 0.361 0.000 2.427 366 V HA 0.472 4.548 4.120 -0.074 0.000 0.286 366 V C -0.350 175.990 176.094 0.410 0.000 1.034 366 V CA -0.745 61.782 62.300 0.379 0.000 0.893 366 V CB 1.044 32.889 31.823 0.036 0.000 0.982 366 V HN 0.841 nan 8.190 nan 0.000 0.452 367 F N 4.978 125.123 119.950 0.324 0.000 2.424 367 F HA 0.296 4.779 4.527 -0.074 0.000 0.356 367 F C 0.793 176.709 175.800 0.193 0.000 1.110 367 F CA -1.290 56.853 58.000 0.238 0.000 1.161 367 F CB 0.607 39.785 39.000 0.296 0.000 1.115 367 F HN 0.628 nan 8.300 nan 0.000 0.507 368 Y N 5.223 125.408 120.300 -0.191 0.000 2.102 368 Y HA -0.175 4.330 4.550 -0.074 0.000 0.280 368 Y C 2.176 177.749 175.900 -0.545 0.000 1.178 368 Y CA 2.343 60.256 58.100 -0.311 0.000 1.146 368 Y CB -0.627 37.646 38.460 -0.312 0.000 0.968 368 Y HN 0.678 nan 8.280 nan 0.000 0.504 369 G N -0.544 107.536 108.800 -1.200 0.000 2.442 369 G HA2 -0.271 3.645 3.960 -0.074 0.000 0.219 369 G HA3 -0.271 3.645 3.960 -0.074 0.000 0.219 369 G C 1.343 176.068 174.900 -0.293 0.000 1.141 369 G CA 1.201 45.774 45.100 -0.878 0.000 0.763 369 G HN 0.399 nan 8.290 nan 0.000 0.554 370 D N -0.753 119.529 120.400 -0.197 0.000 2.091 370 D HA -0.072 4.524 4.640 -0.074 0.000 0.199 370 D C 1.977 178.263 176.300 -0.023 0.000 0.980 370 D CA 0.647 54.732 54.000 0.140 0.000 0.831 370 D CB -0.370 40.658 40.800 0.381 0.000 0.987 370 D HN 0.309 nan 8.370 nan 0.000 0.460 371 Y N 0.010 120.127 120.300 -0.305 0.000 2.133 371 Y HA -0.242 4.263 4.550 -0.075 0.000 0.287 371 Y C 1.704 177.259 175.900 -0.575 0.000 1.134 371 Y CA 1.593 59.384 58.100 -0.514 0.000 1.133 371 Y CB -0.328 37.714 38.460 -0.697 0.000 0.987 371 Y HN -0.019 nan 8.280 nan 0.000 0.502 372 Y N -0.103 120.003 120.300 -0.323 0.000 2.462 372 Y HA 0.392 4.898 4.550 -0.073 0.000 0.261 372 Y C 1.166 176.951 175.900 -0.191 0.000 1.146 372 Y CA 0.237 58.113 58.100 -0.374 0.000 1.283 372 Y CB 0.135 38.220 38.460 -0.624 0.000 1.090 372 Y HN 0.201 nan 8.280 nan 0.000 0.526 373 G N 0.713 109.508 108.800 -0.008 0.000 2.661 373 G HA2 -0.158 3.757 3.960 -0.074 0.000 0.685 373 G HA3 -0.158 3.757 3.960 -0.074 0.000 0.685 373 G C -0.988 173.966 174.900 0.090 0.000 1.298 373 G CA -0.692 44.440 45.100 0.052 0.000 0.855 373 G HN 0.084 nan 8.290 nan 0.000 0.560 374 I N 1.996 122.631 120.570 0.108 0.000 2.698 374 I HA 0.266 4.391 4.170 -0.074 0.000 0.276 374 I C -1.360 174.830 176.117 0.123 0.000 1.166 374 I CA -1.958 59.417 61.300 0.125 0.000 1.101 374 I CB 2.192 40.256 38.000 0.107 0.000 1.305 374 I HN 0.351 nan 8.210 nan 0.000 0.526 375 P HA -0.171 nan 4.420 nan 0.000 0.219 375 P C 1.551 178.869 177.300 0.031 0.000 1.146 375 P CA 1.486 64.621 63.100 0.059 0.000 0.808 375 P CB -0.146 31.582 31.700 0.046 0.000 0.779 376 T N -3.790 110.793 114.554 0.048 0.000 2.881 376 T HA -0.169 4.137 4.350 -0.074 0.000 0.270 376 T C 1.044 175.609 174.700 -0.225 0.000 1.068 376 T CA 1.410 63.467 62.100 -0.072 0.000 1.131 376 T CB -1.094 67.731 68.868 -0.073 0.000 0.871 376 T HN 0.238 nan 8.240 nan 0.000 0.479 377 H N 0.253 119.288 119.070 -0.058 0.000 2.510 377 H HA 0.529 5.040 4.556 -0.074 0.000 0.266 377 H C 0.425 175.745 175.328 -0.014 0.000 1.146 377 H CA -0.440 55.575 56.048 -0.055 0.000 0.993 377 H CB 0.169 29.881 29.762 -0.084 0.000 1.727 377 H HN 0.183 nan 8.280 nan 0.000 0.590 378 S N 0.214 115.954 115.700 0.066 0.000 3.549 378 S HA -0.146 4.279 4.470 -0.074 0.000 0.366 378 S C 0.185 174.846 174.600 0.102 0.000 1.012 378 S CA 0.526 58.765 58.200 0.065 0.000 1.141 378 S CB -1.579 61.648 63.200 0.045 0.000 0.910 378 S HN 0.216 nan 8.310 nan 0.000 0.471 379 V N 3.350 123.338 119.914 0.122 0.000 2.364 379 V HA 0.338 4.413 4.120 -0.074 0.000 0.272 379 V C -1.313 174.857 176.094 0.127 0.000 1.036 379 V CA -1.735 60.664 62.300 0.165 0.000 0.880 379 V CB 0.969 32.916 31.823 0.205 0.000 0.991 379 V HN 0.186 nan 8.190 nan 0.000 0.460 380 P HA 0.229 nan 4.420 nan 0.000 0.274 380 P C -0.268 177.052 177.300 0.033 0.000 1.231 380 P CA -0.212 62.924 63.100 0.060 0.000 0.790 380 P CB 0.933 32.663 31.700 0.049 0.000 0.951 381 A N 3.342 126.154 122.820 -0.013 0.000 2.540 381 A HA 0.116 4.392 4.320 -0.074 0.000 0.239 381 A C 0.993 178.502 177.584 -0.125 0.000 1.061 381 A CA 0.414 52.394 52.037 -0.095 0.000 0.758 381 A CB -0.634 18.294 19.000 -0.119 0.000 0.991 381 A HN 0.586 nan 8.150 nan 0.000 0.502 382 M N 2.045 121.533 119.600 -0.187 0.000 2.502 382 M HA 0.112 4.548 4.480 -0.074 0.000 0.351 382 M C 1.619 177.750 176.300 -0.282 0.000 1.118 382 M CA -0.036 55.166 55.300 -0.163 0.000 0.952 382 M CB 0.263 32.821 32.600 -0.070 0.000 1.424 382 M HN 0.962 nan 8.290 nan 0.000 0.529 383 K N 2.011 122.092 120.400 -0.531 0.000 2.107 383 K HA -0.223 4.053 4.320 -0.074 0.000 0.211 383 K C 1.823 178.204 176.600 -0.366 0.000 1.049 383 K CA 2.172 57.980 56.287 -0.798 0.000 0.927 383 K CB -0.046 31.752 32.500 -1.170 0.000 0.714 383 K HN 0.379 nan 8.250 nan 0.000 0.452 384 A N 0.811 123.478 122.820 -0.254 0.000 1.978 384 A HA -0.181 4.094 4.320 -0.074 0.000 0.220 384 A C 1.788 179.300 177.584 -0.120 0.000 1.170 384 A CA 1.836 53.782 52.037 -0.152 0.000 0.636 384 A CB -0.259 18.673 19.000 -0.115 0.000 0.810 384 A HN 0.422 nan 8.150 nan 0.000 0.448 385 K N -1.160 119.165 120.400 -0.125 0.000 2.276 385 K HA 0.282 4.557 4.320 -0.074 0.000 0.198 385 K C 1.638 178.179 176.600 -0.100 0.000 1.052 385 K CA 0.606 56.834 56.287 -0.099 0.000 0.984 385 K CB -0.013 32.442 32.500 -0.076 0.000 0.836 385 K HN 0.459 nan 8.250 nan 0.000 0.490 386 I N 1.572 122.067 120.570 -0.126 0.000 2.353 386 I HA -0.211 3.914 4.170 -0.074 0.000 0.248 386 I C 1.560 177.651 176.117 -0.044 0.000 1.119 386 I CA 1.010 62.233 61.300 -0.127 0.000 1.417 386 I CB -0.164 37.708 38.000 -0.213 0.000 1.078 386 I HN 0.061 nan 8.210 nan 0.000 0.421 387 D N 1.164 121.557 120.400 -0.011 0.000 2.116 387 D HA -0.153 4.442 4.640 -0.074 0.000 0.193 387 D C -0.467 175.829 176.300 -0.006 0.000 0.998 387 D CA 1.613 55.626 54.000 0.022 0.000 0.836 387 D CB -1.583 39.221 40.800 0.007 0.000 0.951 387 D HN 0.242 nan 8.370 nan 0.000 0.449 388 P HA -0.055 nan 4.420 nan 0.000 0.218 388 P C 1.571 178.842 177.300 -0.047 0.000 1.148 388 P CA 0.852 63.916 63.100 -0.060 0.000 0.822 388 P CB -0.002 31.631 31.700 -0.112 0.000 0.784 389 I N -1.813 118.735 120.570 -0.037 0.000 2.406 389 I HA -0.139 3.986 4.170 -0.074 0.000 0.249 389 I C 2.229 178.362 176.117 0.027 0.000 1.122 389 I CA 0.892 62.187 61.300 -0.009 0.000 1.431 389 I CB -0.614 37.393 38.000 0.011 0.000 1.087 389 I HN -0.137 nan 8.210 nan 0.000 0.424 390 L N 0.683 121.918 121.223 0.019 0.000 2.083 390 L HA -0.225 4.071 4.340 -0.074 0.000 0.209 390 L C 2.632 179.531 176.870 0.049 0.000 1.083 390 L CA 1.491 56.346 54.840 0.026 0.000 0.752 390 L CB -0.501 41.559 42.059 0.002 0.000 0.899 390 L HN 0.318 nan 8.230 nan 0.000 0.433 391 E N 0.283 120.520 120.200 0.061 0.000 2.051 391 E HA -0.247 4.058 4.350 -0.074 0.000 0.192 391 E C 2.244 178.975 176.600 0.219 0.000 0.991 391 E CA 1.136 57.606 56.400 0.116 0.000 0.799 391 E CB -0.012 29.757 29.700 0.116 0.000 0.748 391 E HN 0.438 nan 8.360 nan 0.000 0.449 392 A N 1.761 124.686 122.820 0.174 0.000 1.869 392 A HA -0.300 3.976 4.320 -0.074 0.000 0.218 392 A C 2.235 179.928 177.584 0.181 0.000 1.203 392 A CA 2.146 54.313 52.037 0.216 0.000 0.638 392 A CB -0.807 18.215 19.000 0.037 0.000 0.831 392 A HN 0.330 nan 8.150 nan 0.000 0.450 393 R N -0.518 120.027 120.500 0.075 0.000 2.083 393 R HA -0.224 4.071 4.340 -0.074 0.000 0.237 393 R C 2.482 178.744 176.300 -0.064 0.000 1.137 393 R CA 2.020 58.108 56.100 -0.020 0.000 0.951 393 R CB -0.408 29.893 30.300 0.002 0.000 0.851 393 R HN 0.738 nan 8.270 nan 0.000 0.434 394 Q N -0.380 119.438 119.800 0.030 0.000 2.050 394 Q HA -0.145 4.151 4.340 -0.074 0.000 0.202 394 Q C 0.817 176.894 176.000 0.128 0.000 0.980 394 Q CA 1.867 57.707 55.803 0.062 0.000 0.840 394 Q CB 0.142 28.912 28.738 0.052 0.000 0.898 394 Q HN 0.383 nan 8.270 nan 0.000 0.424 395 N N -1.683 117.041 118.700 0.039 0.000 2.227 395 N HA 0.103 4.798 4.740 -0.074 0.000 0.196 395 N C 0.202 175.452 175.510 -0.434 0.000 1.142 395 N CA 0.330 53.242 53.050 -0.229 0.000 0.887 395 N CB 0.577 38.764 38.487 -0.499 0.000 1.022 395 N HN 0.215 nan 8.380 nan 0.000 0.500 396 F N 0.256 120.295 119.950 0.148 0.000 2.747 396 F HA 0.422 4.905 4.527 -0.074 0.000 0.305 396 F C 1.084 176.929 175.800 0.075 0.000 1.065 396 F CA -0.427 57.631 58.000 0.097 0.000 1.230 396 F CB 0.124 39.105 39.000 -0.032 0.000 1.027 396 F HN -0.188 nan 8.300 nan 0.000 0.607 397 A N 0.815 123.639 122.820 0.007 0.000 3.037 397 A HA 0.444 4.719 4.320 -0.074 0.000 0.272 397 A C -1.210 176.057 177.584 -0.528 0.000 1.723 397 A CA 0.242 52.182 52.037 -0.162 0.000 1.413 397 A CB -1.640 17.269 19.000 -0.152 0.000 1.112 397 A HN 0.337 nan 8.150 nan 0.000 0.606 398 Y N -0.198 120.120 120.300 0.029 0.000 2.605 398 Y HA 0.636 5.143 4.550 -0.073 0.000 0.343 398 Y C 0.887 176.823 175.900 0.060 0.000 1.036 398 Y CA -0.102 58.002 58.100 0.006 0.000 1.065 398 Y CB 1.694 40.129 38.460 -0.041 0.000 1.288 398 Y HN 1.024 nan 8.280 nan 0.000 0.481 399 G N 0.217 109.150 108.800 0.221 0.000 2.782 399 G HA2 -0.185 3.731 3.960 -0.074 0.000 0.228 399 G HA3 -0.185 3.731 3.960 -0.074 0.000 0.228 399 G C -0.629 174.324 174.900 0.089 0.000 1.372 399 G CA -0.682 44.510 45.100 0.153 0.000 0.862 399 G HN 0.679 nan 8.290 nan 0.000 0.547 400 T N 1.010 115.603 114.554 0.064 0.000 2.905 400 T HA 0.320 4.625 4.350 -0.074 0.000 0.299 400 T C 0.691 175.327 174.700 -0.105 0.000 1.024 400 T CA 1.277 63.359 62.100 -0.031 0.000 1.151 400 T CB 0.879 69.735 68.868 -0.020 0.000 0.987 400 T HN 0.729 nan 8.240 nan 0.000 0.535 401 Q N 2.063 121.756 119.800 -0.178 0.000 2.245 401 Q HA 0.246 4.541 4.340 -0.074 0.000 0.256 401 Q C -1.030 174.788 176.000 -0.305 0.000 0.942 401 Q CA -0.807 54.932 55.803 -0.105 0.000 0.896 401 Q CB 0.770 29.503 28.738 -0.009 0.000 1.272 401 Q HN 0.711 nan 8.270 nan 0.000 0.442 402 H N 2.933 122.152 119.070 0.249 0.000 2.727 402 H HA 0.287 4.797 4.556 -0.076 0.000 0.330 402 H C -1.181 174.309 175.328 0.270 0.000 0.986 402 H CA -0.739 55.428 56.048 0.198 0.000 1.251 402 H CB 1.444 31.364 29.762 0.263 0.000 1.493 402 H HN 0.633 nan 8.280 nan 0.000 0.515 403 D N 2.399 122.913 120.400 0.190 0.000 2.210 403 D HA 0.153 4.749 4.640 -0.074 0.000 0.249 403 D C -0.243 176.116 176.300 0.098 0.000 1.062 403 D CA -0.048 54.170 54.000 0.363 0.000 0.891 403 D CB 1.370 42.341 40.800 0.284 0.000 1.186 403 D HN 0.495 nan 8.370 nan 0.000 0.432 404 Y N 1.167 121.785 120.300 0.530 0.000 2.490 404 Y HA 0.238 4.740 4.550 -0.081 0.000 0.346 404 Y C -0.457 175.656 175.900 0.356 0.000 1.023 404 Y CA -0.724 57.606 58.100 0.384 0.000 1.142 404 Y CB 0.066 38.689 38.460 0.272 0.000 1.126 404 Y HN 0.177 nan 8.280 nan 0.000 0.647 405 F N 2.129 122.262 119.950 0.305 0.000 2.509 405 F HA 0.252 4.724 4.527 -0.091 0.000 0.344 405 F C 0.329 176.267 175.800 0.230 0.000 1.197 405 F CA -1.190 56.972 58.000 0.270 0.000 1.294 405 F CB 0.090 39.216 39.000 0.210 0.000 1.643 405 F HN 0.352 nan 8.300 nan 0.000 0.596 406 D N -1.943 118.679 120.400 0.370 0.000 2.527 406 D HA 0.063 4.658 4.640 -0.074 0.000 0.224 406 D C 0.166 176.663 176.300 0.328 0.000 1.217 406 D CA 0.110 54.300 54.000 0.317 0.000 0.819 406 D CB -0.206 40.782 40.800 0.314 0.000 1.061 406 D HN 0.376 nan 8.370 nan 0.000 0.515 407 H N -0.316 118.860 119.070 0.177 0.000 2.961 407 H HA 0.182 4.733 4.556 -0.010 0.000 0.371 407 H C 0.115 175.509 175.328 0.109 0.000 1.190 407 H CA -0.433 55.684 56.048 0.114 0.000 1.138 407 H CB 1.690 31.460 29.762 0.012 0.000 1.816 407 H HN 0.058 nan 8.280 nan 0.000 0.551 408 H N 1.313 120.114 119.070 -0.450 0.000 2.548 408 H HA 0.165 4.697 4.556 -0.039 0.000 0.268 408 H C 0.280 175.566 175.328 -0.070 0.000 0.975 408 H CA 0.551 56.480 56.048 -0.199 0.000 1.195 408 H CB 0.472 30.105 29.762 -0.215 0.000 1.397 408 H HN 0.332 nan 8.280 nan 0.000 0.572 409 N N 0.378 118.866 118.700 -0.354 0.000 2.677 409 N HA 0.192 4.888 4.740 -0.074 0.000 0.242 409 N C -0.011 175.604 175.510 0.175 0.000 1.044 409 N CA 0.146 53.212 53.050 0.025 0.000 0.934 409 N CB 1.007 39.509 38.487 0.025 0.000 1.595 409 N HN 0.179 nan 8.380 nan 0.000 0.459 410 I N 3.652 124.444 120.570 0.369 0.000 2.291 410 I HA 0.323 4.449 4.170 -0.074 0.000 0.290 410 I C -0.131 176.057 176.117 0.117 0.000 1.050 410 I CA -0.451 60.946 61.300 0.161 0.000 1.245 410 I CB 0.301 38.304 38.000 0.005 0.000 1.405 410 I HN 0.093 nan 8.210 nan 0.000 0.478 411 I N 2.758 123.338 120.570 0.018 0.000 2.957 411 I HA 1.064 5.190 4.170 -0.074 0.000 0.310 411 I C -0.073 175.936 176.117 -0.180 0.000 1.063 411 I CA -0.589 60.670 61.300 -0.069 0.000 1.033 411 I CB 2.438 40.301 38.000 -0.228 0.000 1.230 411 I HN 0.537 nan 8.210 nan 0.000 0.447 412 G N 1.861 110.573 108.800 -0.146 0.000 2.495 412 G HA2 0.604 4.520 3.960 -0.074 0.000 0.294 412 G HA3 0.604 4.520 3.960 -0.074 0.000 0.294 412 G C -2.572 172.448 174.900 0.201 0.000 1.397 412 G CA -0.649 44.262 45.100 -0.315 0.000 0.790 412 G HN 1.126 nan 8.290 nan 0.000 0.486 413 W N -0.832 120.552 121.300 0.140 0.000 3.146 413 W HA 0.752 5.362 4.660 -0.084 0.000 0.319 413 W C -0.256 176.370 176.519 0.179 0.000 1.258 413 W CA -0.732 56.800 57.345 0.312 0.000 1.189 413 W CB 0.940 30.576 29.460 0.292 0.000 1.412 413 W HN 0.891 nan 8.180 nan 0.000 0.567 414 T N -0.460 114.378 114.554 0.474 0.000 2.930 414 T HA 0.808 5.114 4.350 -0.074 0.000 0.290 414 T C -0.761 174.154 174.700 0.358 0.000 1.052 414 T CA -1.143 61.134 62.100 0.294 0.000 1.017 414 T CB 2.038 71.040 68.868 0.224 0.000 1.137 414 T HN 0.591 nan 8.240 nan 0.000 0.511 415 R N 1.081 121.754 120.500 0.288 0.000 2.561 415 R HA 0.364 4.659 4.340 -0.074 0.000 0.297 415 R C 0.284 176.736 176.300 0.253 0.000 0.969 415 R CA -0.596 55.649 56.100 0.242 0.000 0.879 415 R CB 1.647 32.072 30.300 0.208 0.000 1.178 415 R HN 0.879 nan 8.270 nan 0.000 0.445 416 E N 1.156 121.487 120.200 0.218 0.000 2.482 416 E HA 0.075 4.381 4.350 -0.074 0.000 0.196 416 E C 0.568 177.293 176.600 0.208 0.000 1.047 416 E CA 0.494 57.016 56.400 0.202 0.000 0.869 416 E CB 0.195 30.008 29.700 0.189 0.000 0.836 416 E HN 0.919 nan 8.360 nan 0.000 0.520 417 G N 2.232 111.166 108.800 0.223 0.000 2.846 417 G HA2 -0.240 3.676 3.960 -0.074 0.000 0.660 417 G HA3 -0.240 3.676 3.960 -0.074 0.000 0.660 417 G C -0.516 174.498 174.900 0.189 0.000 1.464 417 G CA -0.148 45.090 45.100 0.230 0.000 0.891 417 G HN 0.354 nan 8.290 nan 0.000 0.552 418 N N -2.738 116.064 118.700 0.171 0.000 2.697 418 N HA 0.689 5.385 4.740 -0.074 0.000 0.272 418 N C 1.077 176.620 175.510 0.055 0.000 1.381 418 N CA 0.344 53.463 53.050 0.114 0.000 0.797 418 N CB 0.761 39.323 38.487 0.126 0.000 1.523 418 N HN 1.134 nan 8.380 nan 0.000 0.518 419 T N -4.629 109.939 114.554 0.023 0.000 3.035 419 T HA -0.110 4.196 4.350 -0.074 0.000 0.268 419 T C 1.440 176.090 174.700 -0.084 0.000 1.109 419 T CA 1.622 63.712 62.100 -0.016 0.000 1.119 419 T CB -1.041 67.821 68.868 -0.010 0.000 0.900 419 T HN 0.754 nan 8.240 nan 0.000 0.503 420 T N -1.065 113.411 114.554 -0.130 0.000 3.023 420 T HA 0.035 4.340 4.350 -0.074 0.000 0.266 420 T C 0.297 174.661 174.700 -0.560 0.000 1.093 420 T CA 0.280 62.193 62.100 -0.312 0.000 1.129 420 T CB -0.537 68.120 68.868 -0.351 0.000 0.899 420 T HN 0.620 nan 8.240 nan 0.000 0.491 421 H N 2.561 121.468 119.070 -0.272 0.000 2.786 421 H HA 0.439 4.951 4.556 -0.073 0.000 0.284 421 H C -2.784 172.415 175.328 -0.213 0.000 1.104 421 H CA -2.058 53.784 56.048 -0.343 0.000 1.339 421 H CB 1.350 30.708 29.762 -0.673 0.000 1.427 421 H HN 0.210 nan 8.280 nan 0.000 0.497 422 P HA -0.056 nan 4.420 nan 0.000 0.268 422 P C -0.074 177.193 177.300 -0.056 0.000 1.204 422 P CA 0.088 63.151 63.100 -0.062 0.000 0.768 422 P CB 0.678 32.336 31.700 -0.069 0.000 0.842 423 N N -1.458 117.247 118.700 0.009 0.000 2.828 423 N HA -0.140 4.555 4.740 -0.074 0.000 0.248 423 N C 0.068 175.637 175.510 0.098 0.000 1.044 423 N CA 1.284 54.370 53.050 0.060 0.000 0.851 423 N CB -2.156 36.369 38.487 0.062 0.000 1.136 423 N HN 0.666 nan 8.380 nan 0.000 0.572 424 S N -0.417 115.316 115.700 0.056 0.000 2.603 424 S HA 0.672 5.097 4.470 -0.074 0.000 0.268 424 S C 0.841 175.590 174.600 0.249 0.000 1.317 424 S CA 0.353 58.637 58.200 0.139 0.000 1.012 424 S CB 2.143 65.425 63.200 0.136 0.000 0.926 424 S HN 1.196 nan 8.310 nan 0.000 0.539 425 G N 0.271 109.253 108.800 0.304 0.000 2.931 425 G HA2 0.433 4.349 3.960 -0.074 0.000 0.675 425 G HA3 0.433 4.349 3.960 -0.074 0.000 0.675 425 G C -1.405 173.567 174.900 0.121 0.000 1.339 425 G CA -0.477 44.788 45.100 0.275 0.000 0.866 425 G HN 1.713 nan 8.290 nan 0.000 0.616 426 L N -0.827 120.521 121.223 0.207 0.000 2.502 426 L HA 1.090 5.385 4.340 -0.074 0.000 0.253 426 L C -0.029 176.981 176.870 0.233 0.000 1.070 426 L CA -1.131 53.764 54.840 0.091 0.000 0.871 426 L CB 1.436 43.491 42.059 -0.007 0.000 1.487 426 L HN 2.189 nan 8.230 nan 0.000 0.408 427 A N -0.009 122.849 122.820 0.063 0.000 2.522 427 A HA 0.746 5.022 4.320 -0.074 0.000 0.285 427 A C -0.448 176.927 177.584 -0.347 0.000 1.198 427 A CA -0.334 51.494 52.037 -0.349 0.000 0.742 427 A CB 0.585 18.808 19.000 -1.297 0.000 1.176 427 A HN 0.709 nan 8.150 nan 0.000 0.444 428 T N 2.746 116.997 114.554 -0.506 0.000 2.856 428 T HA 0.569 4.875 4.350 -0.074 0.000 0.292 428 T C -0.214 174.060 174.700 -0.710 0.000 0.980 428 T CA 0.240 61.942 62.100 -0.663 0.000 1.091 428 T CB 0.544 68.773 68.868 -1.065 0.000 0.936 428 T HN 0.653 nan 8.240 nan 0.000 0.503 429 I N 4.863 125.169 120.570 -0.440 0.000 2.610 429 I HA 0.571 4.697 4.170 -0.074 0.000 0.289 429 I C -1.204 174.776 176.117 -0.229 0.000 1.163 429 I CA -1.146 59.967 61.300 -0.312 0.000 1.044 429 I CB 1.278 39.210 38.000 -0.112 0.000 1.251 429 I HN 0.742 nan 8.210 nan 0.000 0.424 430 M N 4.829 124.299 119.600 -0.216 0.000 2.593 430 M HA 0.674 5.110 4.480 -0.074 0.000 0.290 430 M C -1.463 174.815 176.300 -0.037 0.000 1.244 430 M CA -0.659 54.562 55.300 -0.132 0.000 0.857 430 M CB 2.167 34.663 32.600 -0.174 0.000 1.738 430 M HN 0.412 nan 8.290 nan 0.000 0.461 431 S N 0.184 115.900 115.700 0.027 0.000 2.571 431 S HA 0.332 4.757 4.470 -0.074 0.000 0.284 431 S C -0.334 174.394 174.600 0.213 0.000 1.128 431 S CA -0.529 57.734 58.200 0.105 0.000 0.970 431 S CB 1.408 64.659 63.200 0.085 0.000 1.039 431 S HN 0.895 nan 8.310 nan 0.000 0.485 432 D N 3.221 123.806 120.400 0.308 0.000 2.355 432 D HA 0.187 4.782 4.640 -0.074 0.000 0.218 432 D C 0.902 177.408 176.300 0.344 0.000 1.004 432 D CA 0.365 54.694 54.000 0.548 0.000 0.880 432 D CB 0.027 41.203 40.800 0.628 0.000 0.911 432 D HN 0.526 nan 8.370 nan 0.000 0.528 433 G N -0.105 108.814 108.800 0.199 0.000 3.264 433 G HA2 0.499 4.415 3.960 -0.074 0.000 0.168 433 G HA3 0.499 4.415 3.960 -0.074 0.000 0.168 433 G C -2.745 172.196 174.900 0.068 0.000 1.145 433 G CA -1.071 44.089 45.100 0.100 0.000 0.855 433 G HN -0.025 nan 8.290 nan 0.000 0.629 434 P HA 0.279 nan 4.420 nan 0.000 0.269 434 P C 0.459 177.783 177.300 0.041 0.000 1.215 434 P CA 0.103 63.225 63.100 0.038 0.000 0.780 434 P CB 0.762 32.486 31.700 0.040 0.000 0.898 435 G N 0.054 108.870 108.800 0.026 0.000 2.553 435 G HA2 0.569 4.484 3.960 -0.074 0.000 0.278 435 G HA3 0.569 4.484 3.960 -0.074 0.000 0.278 435 G C 0.059 174.956 174.900 -0.005 0.000 1.349 435 G CA -0.048 45.063 45.100 0.019 0.000 1.037 435 G HN 0.752 nan 8.290 nan 0.000 0.508 436 G N -1.773 107.014 108.800 -0.022 0.000 2.452 436 G HA2 0.476 4.392 3.960 -0.074 0.000 0.224 436 G HA3 0.476 4.392 3.960 -0.074 0.000 0.224 436 G C -1.350 173.500 174.900 -0.084 0.000 1.208 436 G CA -0.438 44.625 45.100 -0.061 0.000 0.946 436 G HN 0.692 nan 8.290 nan 0.000 0.481 437 E N -0.597 119.522 120.200 -0.134 0.000 2.429 437 E HA 0.666 4.972 4.350 -0.074 0.000 0.276 437 E C -1.300 175.186 176.600 -0.191 0.000 0.953 437 E CA -0.889 55.398 56.400 -0.188 0.000 0.787 437 E CB 2.986 32.523 29.700 -0.272 0.000 1.307 437 E HN 0.475 nan 8.360 nan 0.000 0.458 438 K N 1.388 121.655 120.400 -0.221 0.000 2.571 438 K HA 0.202 4.478 4.320 -0.074 0.000 0.252 438 K C -1.817 174.702 176.600 -0.135 0.000 0.956 438 K CA -0.546 55.660 56.287 -0.134 0.000 0.822 438 K CB 1.092 33.543 32.500 -0.082 0.000 1.286 438 K HN 0.473 nan 8.250 nan 0.000 0.439 439 W N 5.733 127.036 121.300 0.004 0.000 2.446 439 W HA 0.224 4.837 4.660 -0.079 0.000 0.316 439 W C 0.270 176.946 176.519 0.261 0.000 1.376 439 W CA -0.076 57.342 57.345 0.122 0.000 1.300 439 W CB 0.492 29.990 29.460 0.063 0.000 1.351 439 W HN 0.245 nan 8.180 nan 0.000 0.530 440 M N 3.469 123.360 119.600 0.486 0.000 2.572 440 M HA 0.264 4.699 4.480 -0.074 0.000 0.299 440 M C -1.285 174.985 176.300 -0.049 0.000 1.205 440 M CA -1.289 54.026 55.300 0.026 0.000 0.876 440 M CB 2.419 34.788 32.600 -0.383 0.000 1.728 440 M HN 0.259 nan 8.290 nan 0.000 0.458 441 Y N 1.814 121.661 120.300 -0.756 0.000 2.353 441 Y HA 0.462 4.967 4.550 -0.076 0.000 0.340 441 Y C 0.327 175.970 175.900 -0.428 0.000 0.972 441 Y CA -0.556 56.863 58.100 -1.134 0.000 1.157 441 Y CB 0.958 38.372 38.460 -1.743 0.000 1.157 441 Y HN 0.441 nan 8.280 nan 0.000 0.495 442 V N 2.658 122.122 119.914 -0.749 0.000 3.578 442 V HA 0.677 4.753 4.120 -0.074 0.000 0.290 442 V C 0.531 176.324 176.094 -0.503 0.000 1.376 442 V CA 0.234 62.293 62.300 -0.402 0.000 1.083 442 V CB -0.418 31.243 31.823 -0.272 0.000 0.911 442 V HN 1.289 nan 8.190 nan 0.000 0.433 443 G N 0.581 108.648 108.800 -1.222 0.000 3.055 443 G HA2 -0.112 3.804 3.960 -0.074 0.000 0.685 443 G HA3 -0.112 3.804 3.960 -0.074 0.000 0.685 443 G C -0.186 174.484 174.900 -0.384 0.000 1.212 443 G CA 0.147 44.835 45.100 -0.686 0.000 0.822 443 G HN 0.326 nan 8.290 nan 0.000 0.610 444 Q N 0.997 120.737 119.800 -0.101 0.000 2.230 444 Q HA -0.088 4.207 4.340 -0.074 0.000 0.202 444 Q C 2.424 178.449 176.000 0.042 0.000 0.963 444 Q CA 1.697 57.528 55.803 0.045 0.000 0.866 444 Q CB -0.170 28.672 28.738 0.174 0.000 0.931 444 Q HN 0.841 nan 8.270 nan 0.000 0.452 445 N N -0.804 117.926 118.700 0.049 0.000 2.585 445 N HA -0.122 4.573 4.740 -0.074 0.000 0.188 445 N C 0.796 176.350 175.510 0.073 0.000 1.102 445 N CA 0.336 53.425 53.050 0.064 0.000 0.920 445 N CB 0.135 38.667 38.487 0.075 0.000 0.963 445 N HN -0.043 nan 8.380 nan 0.000 0.447 446 K N 0.590 121.020 120.400 0.051 0.000 2.387 446 K HA 0.235 4.511 4.320 -0.074 0.000 0.198 446 K C 0.198 176.827 176.600 0.048 0.000 1.022 446 K CA -0.242 56.103 56.287 0.097 0.000 1.128 446 K CB 0.155 32.716 32.500 0.103 0.000 0.853 446 K HN 0.300 nan 8.250 nan 0.000 0.523 447 A N 0.716 123.554 122.820 0.030 0.000 2.567 447 A HA 0.346 4.622 4.320 -0.074 0.000 0.240 447 A C 1.337 178.942 177.584 0.034 0.000 1.053 447 A CA 1.113 53.163 52.037 0.022 0.000 0.755 447 A CB -0.543 18.480 19.000 0.039 0.000 0.978 447 A HN 0.571 nan 8.150 nan 0.000 0.507 448 G N 1.430 110.239 108.800 0.014 0.000 2.168 448 G HA2 -0.264 3.652 3.960 -0.074 0.000 0.263 448 G HA3 -0.264 3.652 3.960 -0.074 0.000 0.263 448 G C 0.263 175.199 174.900 0.060 0.000 0.977 448 G CA 0.709 45.825 45.100 0.027 0.000 0.659 448 G HN 0.993 nan 8.290 nan 0.000 0.533 449 Q N -0.277 119.577 119.800 0.091 0.000 2.332 449 Q HA 0.469 4.765 4.340 -0.074 0.000 0.263 449 Q C 0.226 176.369 176.000 0.238 0.000 0.979 449 Q CA -0.259 55.674 55.803 0.217 0.000 0.885 449 Q CB 1.652 30.641 28.738 0.419 0.000 1.218 449 Q HN 0.183 nan 8.270 nan 0.000 0.405 450 V N 3.550 123.638 119.914 0.290 0.000 2.383 450 V HA 0.236 4.312 4.120 -0.074 0.000 0.275 450 V C -0.739 175.658 176.094 0.506 0.000 1.036 450 V CA -0.490 61.977 62.300 0.278 0.000 0.889 450 V CB 0.248 32.162 31.823 0.152 0.000 0.985 450 V HN 0.649 nan 8.190 nan 0.000 0.459 451 W N 4.093 125.483 121.300 0.149 0.000 2.706 451 W HA 0.688 5.303 4.660 -0.075 0.000 0.346 451 W C 0.217 177.016 176.519 0.466 0.000 1.071 451 W CA -0.904 56.611 57.345 0.284 0.000 1.206 451 W CB 1.168 30.834 29.460 0.342 0.000 1.413 451 W HN 0.803 nan 8.180 nan 0.000 0.542 452 H N -1.438 117.892 119.070 0.433 0.000 2.907 452 H HA 0.477 4.989 4.556 -0.073 0.000 0.361 452 H C -1.146 174.128 175.328 -0.090 0.000 1.194 452 H CA -1.182 55.057 56.048 0.319 0.000 1.152 452 H CB 1.981 31.801 29.762 0.097 0.000 1.867 452 H HN 0.155 nan 8.280 nan 0.000 0.561 453 D N 1.423 121.332 120.400 -0.818 0.000 2.352 453 D HA 0.006 4.601 4.640 -0.074 0.000 0.245 453 D C 0.882 176.631 176.300 -0.919 0.000 1.224 453 D CA -0.204 53.072 54.000 -1.208 0.000 0.879 453 D CB 0.530 40.510 40.800 -1.367 0.000 1.057 453 D HN 0.649 nan 8.370 nan 0.000 0.491 454 I N 3.065 123.137 120.570 -0.829 0.000 2.700 454 I HA -0.242 3.883 4.170 -0.074 0.000 0.261 454 I C 1.820 177.685 176.117 -0.420 0.000 1.219 454 I CA 1.318 62.228 61.300 -0.650 0.000 1.463 454 I CB 0.188 37.876 38.000 -0.521 0.000 1.092 454 I HN 0.492 nan 8.210 nan 0.000 0.452 455 T N -2.655 111.652 114.554 -0.411 0.000 3.067 455 T HA 0.126 4.432 4.350 -0.074 0.000 0.261 455 T C 1.619 176.167 174.700 -0.252 0.000 1.110 455 T CA 0.582 62.512 62.100 -0.284 0.000 1.113 455 T CB 0.005 68.715 68.868 -0.264 0.000 0.917 455 T HN 0.522 nan 8.240 nan 0.000 0.499 456 G N 1.715 110.325 108.800 -0.316 0.000 2.155 456 G HA2 -0.335 3.581 3.960 -0.074 0.000 0.257 456 G HA3 -0.335 3.581 3.960 -0.074 0.000 0.257 456 G C 0.892 175.679 174.900 -0.187 0.000 0.983 456 G CA 0.459 45.421 45.100 -0.231 0.000 0.676 456 G HN 0.510 nan 8.290 nan 0.000 0.528 457 N N -0.002 118.566 118.700 -0.220 0.000 2.142 457 N HA -0.017 4.678 4.740 -0.074 0.000 0.186 457 N C 0.972 176.408 175.510 -0.123 0.000 1.023 457 N CA 1.046 54.005 53.050 -0.152 0.000 0.852 457 N CB -0.031 38.365 38.487 -0.151 0.000 0.998 457 N HN 0.320 nan 8.380 nan 0.000 0.424 458 K N 1.659 121.945 120.400 -0.191 0.000 2.265 458 K HA 0.337 4.612 4.320 -0.074 0.000 0.267 458 K C -2.270 174.288 176.600 -0.069 0.000 0.994 458 K CA -1.889 54.352 56.287 -0.076 0.000 0.860 458 K CB 1.786 34.311 32.500 0.041 0.000 1.099 458 K HN 0.080 nan 8.250 nan 0.000 0.448 459 P HA 0.241 nan 4.420 nan 0.000 0.274 459 P C 0.354 177.740 177.300 0.143 0.000 1.256 459 P CA 0.125 63.252 63.100 0.046 0.000 0.795 459 P CB 0.673 32.397 31.700 0.041 0.000 1.038 460 G N -0.120 108.768 108.800 0.148 0.000 2.615 460 G HA2 0.046 3.962 3.960 -0.074 0.000 0.218 460 G HA3 0.046 3.962 3.960 -0.074 0.000 0.218 460 G C -0.496 174.594 174.900 0.317 0.000 1.339 460 G CA -0.034 45.178 45.100 0.188 0.000 0.884 460 G HN 0.916 nan 8.290 nan 0.000 0.559 461 T N -3.578 111.133 114.554 0.263 0.000 2.887 461 T HA 0.791 5.097 4.350 -0.074 0.000 0.292 461 T C -0.820 173.935 174.700 0.093 0.000 1.087 461 T CA -0.188 62.090 62.100 0.295 0.000 1.009 461 T CB 2.284 71.265 68.868 0.187 0.000 1.203 461 T HN 1.701 nan 8.240 nan 0.000 0.518 462 V N 1.148 121.087 119.914 0.042 0.000 2.686 462 V HA 0.587 4.663 4.120 -0.074 0.000 0.306 462 V C -0.346 175.663 176.094 -0.142 0.000 1.065 462 V CA -0.736 61.412 62.300 -0.254 0.000 0.894 462 V CB 2.259 33.675 31.823 -0.680 0.000 1.004 462 V HN 1.170 nan 8.190 nan 0.000 0.424 463 T N 5.810 120.243 114.554 -0.201 0.000 2.758 463 T HA 0.508 4.813 4.350 -0.074 0.000 0.285 463 T C -0.015 174.545 174.700 -0.234 0.000 0.981 463 T CA -0.382 61.636 62.100 -0.138 0.000 0.965 463 T CB 0.777 69.606 68.868 -0.065 0.000 0.927 463 T HN 0.336 nan 8.240 nan 0.000 0.448 464 I N 4.882 125.289 120.570 -0.272 0.000 2.662 464 I HA 0.054 4.180 4.170 -0.074 0.000 0.285 464 I C 1.111 177.165 176.117 -0.105 0.000 1.161 464 I CA -0.462 60.669 61.300 -0.283 0.000 1.415 464 I CB -0.794 37.007 38.000 -0.333 0.000 1.385 464 I HN 0.711 nan 8.210 nan 0.000 0.552 465 N N 5.905 124.589 118.700 -0.027 0.000 2.285 465 N HA 0.118 4.814 4.740 -0.074 0.000 0.262 465 N C 0.928 176.467 175.510 0.049 0.000 1.299 465 N CA 0.180 53.252 53.050 0.036 0.000 0.930 465 N CB 0.212 38.754 38.487 0.091 0.000 1.157 465 N HN 0.556 nan 8.380 nan 0.000 0.532 466 A N -0.944 121.907 122.820 0.052 0.000 2.019 466 A HA -0.136 4.139 4.320 -0.074 0.000 0.219 466 A C 1.151 178.797 177.584 0.103 0.000 1.164 466 A CA 1.524 53.596 52.037 0.058 0.000 0.644 466 A CB -0.585 18.438 19.000 0.039 0.000 0.805 466 A HN 0.716 nan 8.150 nan 0.000 0.449 467 D N -1.371 119.129 120.400 0.167 0.000 2.349 467 D HA 0.236 4.832 4.640 -0.074 0.000 0.215 467 D C 1.312 177.836 176.300 0.373 0.000 1.016 467 D CA 1.111 55.288 54.000 0.295 0.000 0.870 467 D CB 0.052 41.094 40.800 0.404 0.000 0.917 467 D HN 0.606 nan 8.370 nan 0.000 0.524 468 G N 0.405 109.319 108.800 0.191 0.000 2.130 468 G HA2 -0.227 3.689 3.960 -0.074 0.000 0.216 468 G HA3 -0.227 3.689 3.960 -0.074 0.000 0.216 468 G C -0.450 174.351 174.900 -0.165 0.000 0.999 468 G CA -0.387 44.675 45.100 -0.065 0.000 0.686 468 G HN 0.136 nan 8.290 nan 0.000 0.515 469 W N -0.073 121.245 121.300 0.030 0.000 2.639 469 W HA 0.801 5.414 4.660 -0.079 0.000 0.347 469 W C 0.209 176.732 176.519 0.005 0.000 1.067 469 W CA 0.046 57.455 57.345 0.107 0.000 1.218 469 W CB 2.198 31.762 29.460 0.172 0.000 1.393 469 W HN 0.756 nan 8.180 nan 0.000 0.557 470 A N 1.668 124.566 122.820 0.131 0.000 2.572 470 A HA 0.424 4.700 4.320 -0.074 0.000 0.295 470 A C -1.467 175.550 177.584 -0.944 0.000 1.072 470 A CA -0.977 50.763 52.037 -0.497 0.000 0.691 470 A CB 1.396 19.677 19.000 -1.199 0.000 1.291 470 A HN 0.704 nan 8.150 nan 0.000 0.404 471 N N 1.304 119.093 118.700 -1.520 0.000 2.482 471 N HA 0.436 5.131 4.740 -0.074 0.000 0.242 471 N C -1.214 173.620 175.510 -1.128 0.000 1.100 471 N CA -0.104 51.988 53.050 -1.597 0.000 0.946 471 N CB 0.040 37.389 38.487 -1.898 0.000 1.227 471 N HN 0.414 nan 8.380 nan 0.000 0.508 472 F N 1.176 120.711 119.950 -0.693 0.000 2.371 472 F HA 0.272 4.754 4.527 -0.076 0.000 0.329 472 F C 1.175 176.677 175.800 -0.497 0.000 1.107 472 F CA -0.479 57.061 58.000 -0.768 0.000 1.137 472 F CB 1.296 39.907 39.000 -0.650 0.000 1.214 472 F HN 0.267 nan 8.300 nan 0.000 0.536 473 S N 1.100 116.691 115.700 -0.181 0.000 2.638 473 S HA 0.881 5.307 4.470 -0.074 0.000 0.302 473 S C -1.154 173.613 174.600 0.277 0.000 1.096 473 S CA -0.830 57.384 58.200 0.024 0.000 0.953 473 S CB 1.953 65.138 63.200 -0.026 0.000 1.107 473 S HN 0.700 nan 8.310 nan 0.000 0.503 474 V N 1.055 121.051 119.914 0.137 0.000 3.012 474 V HA 0.502 4.578 4.120 -0.074 0.000 0.307 474 V C -1.361 174.769 176.094 0.060 0.000 1.166 474 V CA -0.865 61.504 62.300 0.115 0.000 0.974 474 V CB 2.204 34.062 31.823 0.059 0.000 1.040 474 V HN 1.038 nan 8.190 nan 0.000 0.428 475 N N 2.351 121.077 118.700 0.043 0.000 2.347 475 N HA 0.359 5.055 4.740 -0.074 0.000 0.253 475 N C 0.254 175.785 175.510 0.034 0.000 1.274 475 N CA 0.538 53.606 53.050 0.030 0.000 0.941 475 N CB 0.892 39.390 38.487 0.019 0.000 1.200 475 N HN 0.991 nan 8.380 nan 0.000 0.514 476 G N -1.899 106.920 108.800 0.031 0.000 2.483 476 G HA2 0.399 4.314 3.960 -0.074 0.000 0.248 476 G HA3 0.399 4.314 3.960 -0.074 0.000 0.248 476 G C 0.653 175.593 174.900 0.066 0.000 1.248 476 G CA 0.034 45.158 45.100 0.039 0.000 0.838 476 G HN 0.754 nan 8.290 nan 0.000 0.566 477 G N -0.789 108.083 108.800 0.120 0.000 2.371 477 G HA2 0.120 4.036 3.960 -0.074 0.000 0.299 477 G HA3 0.120 4.036 3.960 -0.074 0.000 0.299 477 G C 0.318 175.395 174.900 0.295 0.000 1.014 477 G CA 1.178 46.436 45.100 0.265 0.000 1.097 477 G HN 1.801 nan 8.290 nan 0.000 0.512 478 S N -2.218 113.581 115.700 0.165 0.000 2.636 478 S HA 0.754 5.180 4.470 -0.074 0.000 0.268 478 S C -1.181 173.400 174.600 -0.033 0.000 1.159 478 S CA 0.205 58.436 58.200 0.052 0.000 0.815 478 S CB 2.146 65.366 63.200 0.033 0.000 1.130 478 S HN 1.756 nan 8.310 nan 0.000 0.471 479 V N 1.544 121.406 119.914 -0.086 0.000 2.760 479 V HA 0.860 4.935 4.120 -0.074 0.000 0.309 479 V C -0.965 175.027 176.094 -0.171 0.000 1.077 479 V CA -0.094 62.121 62.300 -0.141 0.000 0.910 479 V CB 2.047 33.765 31.823 -0.175 0.000 1.008 479 V HN 0.965 nan 8.190 nan 0.000 0.424 480 S N 6.222 121.804 115.700 -0.197 0.000 2.513 480 S HA 0.719 5.145 4.470 -0.074 0.000 0.299 480 S C -0.755 173.606 174.600 -0.398 0.000 1.087 480 S CA -0.433 57.561 58.200 -0.342 0.000 1.012 480 S CB 1.524 64.547 63.200 -0.294 0.000 1.044 480 S HN 0.619 nan 8.310 nan 0.000 0.485 481 I N 2.563 122.814 120.570 -0.531 0.000 2.464 481 I HA 0.301 4.427 4.170 -0.074 0.000 0.277 481 I C -1.286 174.541 176.117 -0.484 0.000 1.040 481 I CA -0.394 60.660 61.300 -0.409 0.000 1.153 481 I CB 0.831 38.650 38.000 -0.302 0.000 1.274 481 I HN 0.573 nan 8.210 nan 0.000 0.469 482 W N 6.996 128.181 121.300 -0.191 0.000 2.311 482 W HA 0.509 5.123 4.660 -0.078 0.000 0.310 482 W C 0.127 176.544 176.519 -0.170 0.000 1.274 482 W CA -0.433 56.900 57.345 -0.019 0.000 1.215 482 W CB 0.920 30.558 29.460 0.296 0.000 1.227 482 W HN 0.219 nan 8.180 nan 0.000 0.523 483 V N 0.445 120.199 119.914 -0.267 0.000 3.130 483 V HA 0.502 4.578 4.120 -0.074 0.000 0.310 483 V C -0.238 175.278 176.094 -0.964 0.000 1.158 483 V CA -2.279 59.416 62.300 -1.009 0.000 1.029 483 V CB 1.640 32.634 31.823 -1.380 0.000 1.057 483 V HN 0.463 nan 8.190 nan 0.000 0.436 484 K N 2.111 121.701 120.400 -1.351 0.000 2.491 484 K HA 0.082 4.358 4.320 -0.074 0.000 0.279 484 K C 0.535 177.026 176.600 -0.181 0.000 1.026 484 K CA 0.036 55.921 56.287 -0.669 0.000 1.070 484 K CB 0.354 32.688 32.500 -0.276 0.000 0.887 484 K HN 0.849 nan 8.250 nan 0.000 0.481 485 R N 0.000 120.458 120.500 -0.069 0.000 2.786 485 R HA 0.000 4.296 4.340 -0.074 0.000 0.208 485 R CA 0.000 55.949 56.100 -0.251 0.000 0.921 485 R CB 0.000 30.141 30.300 -0.265 0.000 0.687 485 R HN 0.000 nan 8.270 nan 0.000 0.535