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 1ju3_1_A DATA FIRST_RESID 5 DATA SEQUENCE NYSVASNVMV PMRDGVRLAV DLYRPDADGP VPVLLVRNPY DKFDVFAWST DATA SEQUENCE QSTNWLEFVR DGYAVVIQDT RGLFASEGEF VPHVDDEADA EDTLSWILEQ DATA SEQUENCE AWCDGNVGMF GVSYLGVTQW QAAVSGVGGL KAIAPSMASA DLYRAPWYGP DATA SEQUENCE GGALSVEALL GWSALIGTGL ITSRSDARPE DAADFVQLAA ILNDVAGAAS DATA SEQUENCE VTPLAEQPLL GRLIPWVIDQ VVDHPDNDES WQSISLFERL GGLATPALIT DATA SEQUENCE AGWYDGFVGE SLRTFVAVKD NADARLVVGP WSHSNLTGRN ADRKFGIAAT DATA SEQUENCE YPIQEATTMH KAFFDRHLRG ETDALAGVPK VRLFVMGIDE WRDETDWPLP DATA SEQUENCE DTAYTPFYLG GSGAANTSTG GGTLSTSISG TESADTYLYD PADPVPSLGG DATA SEQUENCE TLLFHNGDNG PADQRPIHDR DDVLCYSTEV LTDPVEVTGT VSARLFVSSS DATA SEQUENCE AVDTDFTAKL VDVFPDGRAI ALCDGIVRMR YRETLVNPTL IEAGEIYEVA DATA SEQUENCE IDMLATSNVF LPGHRIMVQV SSSNFPKYDR NSNTGGVIAR EQLEEMCTAV DATA SEQUENCE NRIHRGPEHP SHIVLPIIKR 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 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.656 175.510 0.243 0.000 1.280 5 N CA 0.000 53.126 53.050 0.127 0.000 0.885 5 N CB 0.000 38.511 38.487 0.041 0.000 1.341 6 Y N -1.904 118.420 120.300 0.040 0.000 2.705 6 Y HA 0.847 5.398 4.550 0.001 0.000 0.332 6 Y C -0.807 175.107 175.900 0.023 0.000 1.221 6 Y CA -1.074 57.055 58.100 0.047 0.000 1.059 6 Y CB 0.905 39.423 38.460 0.097 0.000 1.298 6 Y HN 0.497 nan 8.280 nan 0.000 0.459 7 S N 0.303 116.116 115.700 0.188 0.000 2.599 7 S HA 0.884 5.354 4.470 0.001 0.000 0.287 7 S C -1.816 172.825 174.600 0.069 0.000 1.105 7 S CA -0.730 57.494 58.200 0.040 0.000 0.899 7 S CB 1.786 64.981 63.200 -0.008 0.000 1.100 7 S HN 0.893 nan 8.310 nan 0.000 0.482 8 V N 1.201 121.085 119.914 -0.050 0.000 2.483 8 V HA 0.803 4.923 4.120 0.001 0.000 0.297 8 V C -0.039 175.962 176.094 -0.155 0.000 1.027 8 V CA -0.590 61.595 62.300 -0.192 0.000 0.855 8 V CB 1.204 32.843 31.823 -0.307 0.000 0.995 8 V HN 1.244 nan 8.190 nan 0.000 0.424 9 A N 3.480 126.207 122.820 -0.154 0.000 2.271 9 A HA 0.803 5.124 4.320 0.001 0.000 0.317 9 A C 0.103 177.666 177.584 -0.035 0.000 1.245 9 A CA -0.350 51.645 52.037 -0.070 0.000 0.857 9 A CB 0.911 19.883 19.000 -0.046 0.000 1.175 9 A HN 0.709 nan 8.150 nan 0.000 0.512 10 S N 2.198 117.914 115.700 0.026 0.000 2.578 10 S HA 0.408 4.879 4.470 0.001 0.000 0.283 10 S C 0.236 174.900 174.600 0.106 0.000 1.195 10 S CA -0.609 57.667 58.200 0.126 0.000 1.050 10 S CB 0.522 63.860 63.200 0.230 0.000 1.012 10 S HN 0.756 nan 8.310 nan 0.000 0.511 11 N N 0.341 119.087 118.700 0.077 0.000 2.725 11 N HA -0.131 4.609 4.740 0.001 0.000 0.251 11 N C -0.850 174.662 175.510 0.003 0.000 1.031 11 N CA 0.295 53.352 53.050 0.012 0.000 0.720 11 N CB -1.448 37.070 38.487 0.051 0.000 0.930 11 N HN 0.359 nan 8.380 nan 0.000 0.543 12 V N 1.514 121.428 119.914 -0.000 0.000 2.455 12 V HA 0.161 4.281 4.120 0.001 0.000 0.273 12 V C 0.949 176.982 176.094 -0.103 0.000 1.045 12 V CA -0.143 62.165 62.300 0.012 0.000 0.976 12 V CB 1.014 32.904 31.823 0.112 0.000 0.993 12 V HN 0.143 nan 8.190 nan 0.000 0.475 13 M N 5.787 125.331 119.600 -0.092 0.000 2.105 13 M HA 0.327 4.807 4.480 0.001 0.000 0.350 13 M C -0.493 175.636 176.300 -0.285 0.000 1.308 13 M CA -0.246 54.960 55.300 -0.157 0.000 1.108 13 M CB 0.783 33.335 32.600 -0.080 0.000 1.622 13 M HN 0.306 nan 8.290 nan 0.000 0.468 14 V N 7.333 126.983 119.914 -0.440 0.000 2.347 14 V HA 0.359 4.480 4.120 0.001 0.000 0.280 14 V C -1.940 173.949 176.094 -0.341 0.000 1.021 14 V CA -1.457 60.435 62.300 -0.680 0.000 0.847 14 V CB 1.402 32.659 31.823 -0.942 0.000 0.990 14 V HN 0.621 nan 8.190 nan 0.000 0.444 15 P HA 0.287 nan 4.420 nan 0.000 0.281 15 P C -0.596 176.668 177.300 -0.059 0.000 1.252 15 P CA -0.345 62.700 63.100 -0.092 0.000 0.778 15 P CB 1.107 32.792 31.700 -0.025 0.000 0.895 16 M N 3.088 122.662 119.600 -0.044 0.000 2.369 16 M HA 0.251 4.732 4.480 0.001 0.000 0.291 16 M C 2.163 178.462 176.300 -0.000 0.000 1.178 16 M CA -0.611 54.677 55.300 -0.019 0.000 0.996 16 M CB 0.343 32.931 32.600 -0.021 0.000 1.472 16 M HN 0.403 nan 8.290 nan 0.000 0.496 17 R N 0.678 121.183 120.500 0.008 0.000 2.159 17 R HA -0.161 4.179 4.340 0.001 0.000 0.237 17 R C 0.496 176.800 176.300 0.008 0.000 1.131 17 R CA 1.956 58.064 56.100 0.012 0.000 0.982 17 R CB -0.591 29.718 30.300 0.015 0.000 0.868 17 R HN 0.679 nan 8.270 nan 0.000 0.453 18 D N -0.836 119.565 120.400 0.003 0.000 2.339 18 D HA 0.102 4.743 4.640 0.001 0.000 0.217 18 D C 1.158 177.457 176.300 -0.002 0.000 1.050 18 D CA 0.574 54.574 54.000 0.001 0.000 0.856 18 D CB 0.510 41.309 40.800 -0.001 0.000 0.922 18 D HN 0.450 nan 8.370 nan 0.000 0.518 19 G N -0.214 108.584 108.800 -0.003 0.000 2.217 19 G HA2 -0.272 3.689 3.960 0.001 0.000 0.246 19 G HA3 -0.272 3.689 3.960 0.001 0.000 0.246 19 G C 0.226 175.117 174.900 -0.015 0.000 0.990 19 G CA 0.111 45.208 45.100 -0.006 0.000 0.627 19 G HN 0.367 nan 8.290 nan 0.000 0.522 20 V N 2.399 122.302 119.914 -0.018 0.000 2.572 20 V HA 0.353 4.473 4.120 0.001 0.000 0.291 20 V C 1.029 177.097 176.094 -0.043 0.000 1.039 20 V CA 0.148 62.432 62.300 -0.026 0.000 1.055 20 V CB 0.959 32.770 31.823 -0.020 0.000 0.969 20 V HN 0.386 nan 8.190 nan 0.000 0.482 21 R N 5.522 125.991 120.500 -0.052 0.000 2.294 21 R HA 0.582 4.922 4.340 0.001 0.000 0.319 21 R C -0.997 175.247 176.300 -0.094 0.000 0.984 21 R CA -0.592 55.459 56.100 -0.082 0.000 0.861 21 R CB 1.173 31.427 30.300 -0.076 0.000 1.104 21 R HN 0.569 nan 8.270 nan 0.000 0.451 22 L N 2.288 123.433 121.223 -0.130 0.000 2.309 22 L HA 0.513 4.853 4.340 0.001 0.000 0.282 22 L C 0.367 177.135 176.870 -0.169 0.000 1.036 22 L CA -0.928 53.834 54.840 -0.130 0.000 0.806 22 L CB 1.696 43.682 42.059 -0.120 0.000 1.220 22 L HN 0.655 nan 8.230 nan 0.000 0.429 23 A N 3.425 126.159 122.820 -0.144 0.000 2.328 23 A HA 0.627 4.947 4.320 0.001 0.000 0.284 23 A C -0.253 177.234 177.584 -0.162 0.000 1.160 23 A CA -0.430 51.515 52.037 -0.154 0.000 0.818 23 A CB 0.892 19.804 19.000 -0.146 0.000 1.087 23 A HN 0.573 nan 8.150 nan 0.000 0.504 24 V N -0.331 119.496 119.914 -0.146 0.000 3.001 24 V HA 0.772 4.892 4.120 0.001 0.000 0.314 24 V C -1.239 174.842 176.094 -0.022 0.000 1.099 24 V CA -1.045 61.203 62.300 -0.086 0.000 0.989 24 V CB 2.187 33.969 31.823 -0.068 0.000 1.040 24 V HN 0.666 nan 8.190 nan 0.000 0.434 25 D N 2.839 123.265 120.400 0.045 0.000 2.278 25 D HA 0.638 5.279 4.640 0.001 0.000 0.245 25 D C -0.656 175.713 176.300 0.116 0.000 1.052 25 D CA 0.042 54.088 54.000 0.077 0.000 0.834 25 D CB 1.945 42.850 40.800 0.175 0.000 1.194 25 D HN 0.672 nan 8.370 nan 0.000 0.481 26 L N 2.826 124.042 121.223 -0.012 0.000 2.280 26 L HA 0.358 4.698 4.340 0.001 0.000 0.287 26 L C -0.799 175.996 176.870 -0.125 0.000 1.023 26 L CA -0.900 53.918 54.840 -0.037 0.000 0.819 26 L CB 0.588 42.543 42.059 -0.174 0.000 1.212 26 L HN 0.258 nan 8.230 nan 0.000 0.420 27 Y N 3.076 123.402 120.300 0.043 0.000 2.595 27 Y HA 0.425 4.975 4.550 0.000 0.000 0.336 27 Y C 0.187 176.101 175.900 0.025 0.000 0.996 27 Y CA -0.556 57.616 58.100 0.121 0.000 1.260 27 Y CB 0.619 39.214 38.460 0.224 0.000 1.108 27 Y HN 0.433 nan 8.280 nan 0.000 0.509 28 R N 4.711 125.256 120.500 0.075 0.000 2.445 28 R HA 0.427 4.767 4.340 0.001 0.000 0.308 28 R C -2.742 173.629 176.300 0.118 0.000 0.961 28 R CA -2.058 54.039 56.100 -0.005 0.000 0.862 28 R CB 1.429 31.578 30.300 -0.251 0.000 1.144 28 R HN 0.310 nan 8.270 nan 0.000 0.447 29 P HA 0.032 nan 4.420 nan 0.000 0.275 29 P C -0.911 176.459 177.300 0.116 0.000 1.228 29 P CA -0.357 62.839 63.100 0.161 0.000 0.786 29 P CB 0.767 32.546 31.700 0.131 0.000 0.927 30 D N 1.203 121.674 120.400 0.119 0.000 2.498 30 D HA 0.364 5.004 4.640 0.001 0.000 0.229 30 D C 0.414 176.753 176.300 0.065 0.000 1.188 30 D CA 0.503 54.548 54.000 0.076 0.000 1.028 30 D CB -0.432 40.406 40.800 0.063 0.000 1.087 30 D HN 0.326 nan 8.370 nan 0.000 0.510 31 A N 1.356 124.213 122.820 0.061 0.000 2.346 31 A HA 0.468 4.789 4.320 0.001 0.000 0.313 31 A C 0.829 178.440 177.584 0.045 0.000 1.140 31 A CA -0.758 51.309 52.037 0.051 0.000 0.826 31 A CB 1.051 20.082 19.000 0.052 0.000 1.332 31 A HN 0.264 nan 8.150 nan 0.000 0.457 32 D N -0.118 120.302 120.400 0.034 0.000 2.117 32 D HA 0.264 4.904 4.640 0.001 0.000 0.198 32 D C 0.949 177.269 176.300 0.032 0.000 0.982 32 D CA 1.519 55.536 54.000 0.029 0.000 0.828 32 D CB -0.051 40.761 40.800 0.020 0.000 0.967 32 D HN 0.705 nan 8.370 nan 0.000 0.464 33 G N -0.580 108.240 108.800 0.034 0.000 3.183 33 G HA2 0.516 4.477 3.960 0.001 0.000 0.247 33 G HA3 0.516 4.477 3.960 0.001 0.000 0.247 33 G C -2.578 172.354 174.900 0.053 0.000 1.211 33 G CA -0.977 44.144 45.100 0.035 0.000 0.835 33 G HN 0.044 nan 8.290 nan 0.000 0.604 34 P HA 0.418 nan 4.420 nan 0.000 0.274 34 P C -0.399 176.926 177.300 0.041 0.000 1.231 34 P CA -0.051 63.079 63.100 0.051 0.000 0.790 34 P CB 1.585 33.283 31.700 -0.002 0.000 0.951 35 V N -1.878 118.083 119.914 0.077 0.000 3.074 35 V HA 0.667 4.787 4.120 0.001 0.000 0.314 35 V C -2.755 173.359 176.094 0.034 0.000 1.117 35 V CA -3.086 59.235 62.300 0.035 0.000 1.014 35 V CB 1.753 33.616 31.823 0.065 0.000 1.057 35 V HN 0.384 nan 8.190 nan 0.000 0.438 36 P HA 0.349 nan 4.420 nan 0.000 0.275 36 P C -0.827 176.562 177.300 0.150 0.000 1.228 36 P CA -0.054 63.045 63.100 -0.003 0.000 0.786 36 P CB 1.490 33.120 31.700 -0.118 0.000 0.927 37 V N 3.386 123.403 119.914 0.173 0.000 2.769 37 V HA 0.441 4.562 4.120 0.001 0.000 0.312 37 V C 0.300 176.472 176.094 0.129 0.000 1.061 37 V CA -0.799 61.639 62.300 0.230 0.000 0.931 37 V CB 1.834 33.824 31.823 0.279 0.000 1.010 37 V HN 0.354 nan 8.190 nan 0.000 0.433 38 L N 4.379 125.682 121.223 0.134 0.000 2.362 38 L HA 0.631 4.972 4.340 0.001 0.000 0.275 38 L C -0.956 175.962 176.870 0.080 0.000 0.998 38 L CA -0.582 54.284 54.840 0.043 0.000 0.820 38 L CB 1.841 43.931 42.059 0.052 0.000 1.270 38 L HN 0.469 nan 8.230 nan 0.000 0.415 39 L N 4.272 125.491 121.223 -0.006 0.000 2.329 39 L HA 0.747 5.087 4.340 0.001 0.000 0.279 39 L C -0.942 175.772 176.870 -0.260 0.000 1.014 39 L CA -0.315 54.484 54.840 -0.070 0.000 0.814 39 L CB 1.986 44.039 42.059 -0.011 0.000 1.257 39 L HN 0.290 nan 8.230 nan 0.000 0.424 40 V N 5.261 124.966 119.914 -0.348 0.000 2.531 40 V HA 0.580 4.700 4.120 0.001 0.000 0.301 40 V C -0.370 175.503 176.094 -0.367 0.000 1.034 40 V CA -0.665 61.311 62.300 -0.539 0.000 0.865 40 V CB 1.725 33.036 31.823 -0.853 0.000 0.995 40 V HN 0.688 nan 8.190 nan 0.000 0.424 41 R N 3.324 123.635 120.500 -0.315 0.000 2.246 41 R HA 0.483 4.823 4.340 0.001 0.000 0.332 41 R C -0.788 175.380 176.300 -0.221 0.000 0.974 41 R CA -0.564 55.418 56.100 -0.196 0.000 0.837 41 R CB 1.329 31.575 30.300 -0.090 0.000 1.145 41 R HN 0.620 nan 8.270 nan 0.000 0.467 42 N N 3.525 122.072 118.700 -0.254 0.000 2.354 42 N HA 0.301 5.041 4.740 0.001 0.000 0.287 42 N C -2.207 173.101 175.510 -0.337 0.000 1.016 42 N CA -2.350 50.510 53.050 -0.316 0.000 0.871 42 N CB 1.892 40.152 38.487 -0.378 0.000 1.299 42 N HN 0.237 nan 8.380 nan 0.000 0.482 43 P HA 0.171 nan 4.420 nan 0.000 0.268 43 P C -0.622 176.291 177.300 -0.645 0.000 1.329 43 P CA 0.317 62.977 63.100 -0.735 0.000 0.899 43 P CB 0.090 31.123 31.700 -1.112 0.000 1.378 44 Y N 0.148 120.338 120.300 -0.185 0.000 2.736 44 Y HA 0.417 4.967 4.550 0.000 0.000 0.293 44 Y C 0.033 175.675 175.900 -0.430 0.000 1.062 44 Y CA -1.330 56.671 58.100 -0.164 0.000 1.247 44 Y CB -0.492 37.938 38.460 -0.051 0.000 1.200 44 Y HN -0.102 nan 8.280 nan 0.000 0.552 45 D N 1.555 121.545 120.400 -0.683 0.000 5.989 45 D HA -0.188 4.452 4.640 0.001 0.000 0.236 45 D C 0.826 176.918 176.300 -0.347 0.000 1.693 45 D CA 0.683 54.113 54.000 -0.951 0.000 1.470 45 D CB 0.526 40.525 40.800 -1.334 0.000 0.653 45 D HN 0.638 nan 8.370 nan 0.000 0.358 46 K N 2.498 122.714 120.400 -0.305 0.000 2.209 46 K HA -0.150 4.171 4.320 0.001 0.000 0.204 46 K C 1.873 178.520 176.600 0.078 0.000 1.048 46 K CA 1.049 57.267 56.287 -0.115 0.000 0.940 46 K CB -0.228 32.163 32.500 -0.180 0.000 0.729 46 K HN 0.280 nan 8.250 nan 0.000 0.451 47 F N 2.263 122.182 119.950 -0.052 0.000 2.234 47 F HA -0.040 4.487 4.527 0.000 0.000 0.299 47 F C 0.996 176.749 175.800 -0.077 0.000 1.087 47 F CA 0.458 58.436 58.000 -0.038 0.000 1.340 47 F CB -0.602 38.354 39.000 -0.072 0.000 1.031 47 F HN 0.080 nan 8.300 nan 0.000 0.500 48 D N 0.767 121.229 120.400 0.104 0.000 2.551 48 D HA 0.088 4.729 4.640 0.001 0.000 0.223 48 D C 1.443 177.791 176.300 0.081 0.000 1.144 48 D CA 0.089 54.100 54.000 0.018 0.000 1.025 48 D CB 0.314 41.118 40.800 0.007 0.000 1.085 48 D HN 0.100 nan 8.370 nan 0.000 0.506 49 V N 0.442 120.315 119.914 -0.068 0.000 2.548 49 V HA -0.089 4.032 4.120 0.001 0.000 0.249 49 V C 1.838 177.766 176.094 -0.276 0.000 1.055 49 V CA 0.830 63.083 62.300 -0.078 0.000 1.065 49 V CB -0.965 30.880 31.823 0.037 0.000 0.681 49 V HN 0.157 nan 8.190 nan 0.000 0.462 50 F N 2.024 121.901 119.950 -0.121 0.000 2.293 50 F HA 0.270 4.797 4.527 0.000 0.000 0.300 50 F C 2.665 178.371 175.800 -0.156 0.000 1.086 50 F CA 0.481 58.378 58.000 -0.171 0.000 1.375 50 F CB -1.448 37.487 39.000 -0.107 0.000 1.045 50 F HN 0.258 nan 8.300 nan 0.000 0.516 51 A N 0.596 123.470 122.820 0.089 0.000 1.933 51 A HA -0.166 4.155 4.320 0.001 0.000 0.218 51 A C 2.035 179.679 177.584 0.100 0.000 1.175 51 A CA 1.714 53.805 52.037 0.089 0.000 0.628 51 A CB -1.069 18.002 19.000 0.118 0.000 0.814 51 A HN 0.666 nan 8.150 nan 0.000 0.444 52 W N -2.120 119.204 121.300 0.039 0.000 2.792 52 W HA 0.230 4.890 4.660 0.000 0.000 0.262 52 W C 1.355 177.894 176.519 0.034 0.000 1.212 52 W CA 0.704 58.054 57.345 0.008 0.000 1.433 52 W CB -0.809 28.672 29.460 0.035 0.000 1.004 52 W HN 0.207 nan 8.180 nan 0.000 0.608 53 S N 1.932 117.197 115.700 -0.726 0.000 2.402 53 S HA -0.237 4.233 4.470 0.001 0.000 0.233 53 S C 1.906 176.372 174.600 -0.222 0.000 1.030 53 S CA 2.864 60.693 58.200 -0.617 0.000 1.003 53 S CB -0.831 62.021 63.200 -0.580 0.000 0.813 53 S HN 0.468 nan 8.310 nan 0.000 0.477 54 T N -0.172 114.274 114.554 -0.180 0.000 3.007 54 T HA -0.033 4.317 4.350 0.001 0.000 0.270 54 T C 1.191 175.773 174.700 -0.196 0.000 1.107 54 T CA 0.790 62.801 62.100 -0.148 0.000 1.118 54 T CB -0.276 68.509 68.868 -0.137 0.000 0.889 54 T HN 0.351 nan 8.240 nan 0.000 0.506 55 Q N 0.123 119.778 119.800 -0.243 0.000 2.220 55 Q HA 0.457 4.798 4.340 0.001 0.000 0.205 55 Q C 1.602 177.323 176.000 -0.466 0.000 0.865 55 Q CA -0.086 55.413 55.803 -0.507 0.000 0.960 55 Q CB 0.818 29.332 28.738 -0.374 0.000 1.097 55 Q HN 0.497 nan 8.270 nan 0.000 0.493 56 S N -0.795 114.844 115.700 -0.102 0.000 3.669 56 S HA 0.378 4.849 4.470 0.001 0.000 0.171 56 S C -0.107 174.609 174.600 0.193 0.000 0.855 56 S CA 0.589 58.876 58.200 0.146 0.000 1.037 56 S CB 0.338 63.786 63.200 0.414 0.000 1.477 56 S HN 0.296 nan 8.310 nan 0.000 0.854 57 T N 0.297 114.926 114.554 0.124 0.000 2.821 57 T HA 0.497 4.847 4.350 0.001 0.000 0.306 57 T C -1.441 173.167 174.700 -0.154 0.000 1.313 57 T CA -0.810 61.253 62.100 -0.060 0.000 1.012 57 T CB 1.051 69.794 68.868 -0.207 0.000 1.298 57 T HN 0.331 nan 8.240 nan 0.000 0.502 58 N N 1.893 120.401 118.700 -0.321 0.000 3.298 58 N HA 0.144 4.885 4.740 0.001 0.000 0.292 58 N C 1.213 176.321 175.510 -0.670 0.000 1.271 58 N CA -0.703 52.086 53.050 -0.436 0.000 1.184 58 N CB 0.112 38.401 38.487 -0.331 0.000 1.452 58 N HN 0.710 nan 8.380 nan 0.000 0.534 59 W N 0.407 121.270 121.300 -0.729 0.000 2.538 59 W HA -0.101 4.560 4.660 0.000 0.000 0.254 59 W C 0.212 176.312 176.519 -0.698 0.000 1.249 59 W CA 0.106 56.800 57.345 -1.085 0.000 1.253 59 W CB -0.508 28.608 29.460 -0.573 0.000 1.130 59 W HN 0.335 nan 8.180 nan 0.000 0.618 60 L N 0.956 121.696 121.223 -0.805 0.000 2.362 60 L HA -0.132 4.208 4.340 0.001 0.000 0.219 60 L C 2.752 179.428 176.870 -0.324 0.000 1.134 60 L CA 1.459 55.948 54.840 -0.585 0.000 0.807 60 L CB -0.650 41.067 42.059 -0.570 0.000 0.927 60 L HN 0.060 nan 8.230 nan 0.000 0.447 61 E N 0.222 120.214 120.200 -0.347 0.000 2.150 61 E HA -0.194 4.156 4.350 0.001 0.000 0.193 61 E C 2.052 178.684 176.600 0.054 0.000 0.985 61 E CA 0.960 57.266 56.400 -0.158 0.000 0.814 61 E CB 0.116 29.701 29.700 -0.192 0.000 0.752 61 E HN 0.351 nan 8.360 nan 0.000 0.466 62 F N 0.273 120.223 119.950 0.000 0.000 2.146 62 F HA -0.137 4.391 4.527 0.001 0.000 0.298 62 F C 2.308 178.215 175.800 0.179 0.000 1.096 62 F CA 0.584 58.622 58.000 0.063 0.000 1.275 62 F CB -1.039 37.900 39.000 -0.101 0.000 1.008 62 F HN -0.044 nan 8.300 nan 0.000 0.480 63 V N 0.080 120.124 119.914 0.216 0.000 2.453 63 V HA -0.193 3.927 4.120 0.001 0.000 0.247 63 V C 2.305 178.420 176.094 0.035 0.000 1.048 63 V CA 1.465 63.795 62.300 0.050 0.000 1.049 63 V CB -0.733 30.902 31.823 -0.313 0.000 0.672 63 V HN 0.218 nan 8.190 nan 0.000 0.457 64 R N 0.213 120.734 120.500 0.035 0.000 2.189 64 R HA -0.073 4.267 4.340 0.001 0.000 0.218 64 R C 1.325 177.708 176.300 0.138 0.000 1.074 64 R CA 1.138 57.309 56.100 0.119 0.000 0.991 64 R CB -0.166 30.196 30.300 0.103 0.000 0.883 64 R HN 0.488 nan 8.270 nan 0.000 0.457 65 D N -1.045 119.464 120.400 0.183 0.000 2.339 65 D HA 0.109 4.749 4.640 0.001 0.000 0.217 65 D C 0.929 177.325 176.300 0.159 0.000 1.050 65 D CA 0.618 54.735 54.000 0.195 0.000 0.856 65 D CB 1.065 42.028 40.800 0.270 0.000 0.922 65 D HN 0.405 nan 8.370 nan 0.000 0.518 66 G N 0.075 108.963 108.800 0.146 0.000 2.168 66 G HA2 -0.236 3.725 3.960 0.001 0.000 0.197 66 G HA3 -0.236 3.725 3.960 0.001 0.000 0.197 66 G C -0.183 174.703 174.900 -0.023 0.000 0.997 66 G CA -0.577 44.546 45.100 0.038 0.000 0.658 66 G HN 0.249 nan 8.290 nan 0.000 0.513 67 Y N 0.937 121.300 120.300 0.105 0.000 2.352 67 Y HA 0.678 5.229 4.550 0.001 0.000 0.326 67 Y C 0.727 176.705 175.900 0.130 0.000 1.166 67 Y CA 0.001 58.163 58.100 0.102 0.000 1.182 67 Y CB 1.785 40.297 38.460 0.086 0.000 1.216 67 Y HN 0.409 nan 8.280 nan 0.000 0.474 68 A N 2.213 125.224 122.820 0.318 0.000 2.301 68 A HA 0.721 5.042 4.320 0.001 0.000 0.312 68 A C -1.187 176.577 177.584 0.299 0.000 1.182 68 A CA -0.581 51.616 52.037 0.266 0.000 0.826 68 A CB 0.517 19.685 19.000 0.280 0.000 1.134 68 A HN 0.521 nan 8.150 nan 0.000 0.501 69 V N 2.978 123.067 119.914 0.291 0.000 2.487 69 V HA 0.434 4.554 4.120 0.001 0.000 0.298 69 V C -0.519 175.735 176.094 0.266 0.000 1.028 69 V CA -0.463 61.988 62.300 0.252 0.000 0.860 69 V CB 1.691 33.621 31.823 0.178 0.000 0.991 69 V HN 0.645 nan 8.190 nan 0.000 0.427 70 V N 6.504 126.531 119.914 0.189 0.000 2.409 70 V HA 0.534 4.655 4.120 0.001 0.000 0.291 70 V C -0.269 175.854 176.094 0.049 0.000 1.020 70 V CA -0.366 62.053 62.300 0.198 0.000 0.848 70 V CB 1.616 33.605 31.823 0.278 0.000 0.990 70 V HN 0.676 nan 8.190 nan 0.000 0.430 71 I N 4.668 125.283 120.570 0.075 0.000 2.406 71 I HA 0.515 4.685 4.170 0.001 0.000 0.290 71 I C -0.215 175.876 176.117 -0.044 0.000 0.999 71 I CA -0.370 60.903 61.300 -0.045 0.000 1.124 71 I CB 1.752 39.758 38.000 0.010 0.000 1.289 71 I HN 0.617 nan 8.210 nan 0.000 0.441 72 Q N 4.758 124.491 119.800 -0.112 0.000 2.342 72 Q HA 0.300 4.640 4.340 0.001 0.000 0.267 72 Q C -1.346 174.564 176.000 -0.150 0.000 1.038 72 Q CA -0.837 54.894 55.803 -0.119 0.000 0.832 72 Q CB 2.125 30.803 28.738 -0.099 0.000 1.323 72 Q HN 0.472 nan 8.270 nan 0.000 0.448 73 D N 2.692 123.001 120.400 -0.152 0.000 2.312 73 D HA 0.119 4.759 4.640 0.001 0.000 0.252 73 D C -0.170 176.066 176.300 -0.106 0.000 1.150 73 D CA 0.160 54.073 54.000 -0.145 0.000 0.870 73 D CB 1.344 42.070 40.800 -0.124 0.000 1.153 73 D HN 0.625 nan 8.370 nan 0.000 0.457 74 T N 0.151 114.642 114.554 -0.104 0.000 2.802 74 T HA 0.087 4.437 4.350 0.001 0.000 0.305 74 T C 0.747 175.446 174.700 -0.001 0.000 1.053 74 T CA -0.822 61.263 62.100 -0.026 0.000 1.058 74 T CB 0.834 69.730 68.868 0.046 0.000 0.988 74 T HN 0.339 nan 8.240 nan 0.000 0.539 75 R N 0.475 121.016 120.500 0.068 0.000 2.494 75 R HA 0.230 4.570 4.340 0.001 0.000 0.291 75 R C 1.560 177.933 176.300 0.121 0.000 0.953 75 R CA 1.390 57.533 56.100 0.073 0.000 1.098 75 R CB -0.888 29.456 30.300 0.074 0.000 0.911 75 R HN 1.228 nan 8.270 nan 0.000 0.407 76 G N 3.279 112.101 108.800 0.036 0.000 2.179 76 G HA2 -0.282 3.679 3.960 0.001 0.000 0.260 76 G HA3 -0.282 3.679 3.960 0.001 0.000 0.260 76 G C -0.148 174.698 174.900 -0.090 0.000 0.977 76 G CA 0.241 45.352 45.100 0.020 0.000 0.641 76 G HN 0.503 nan 8.290 nan 0.000 0.533 77 L N -0.797 120.334 121.223 -0.153 0.000 2.362 77 L HA 0.722 5.063 4.340 0.001 0.000 0.271 77 L C 1.449 178.270 176.870 -0.082 0.000 1.002 77 L CA -1.117 53.569 54.840 -0.258 0.000 0.818 77 L CB 1.113 42.953 42.059 -0.365 0.000 1.298 77 L HN 0.134 nan 8.230 nan 0.000 0.420 78 F N 1.092 120.936 119.950 -0.176 0.000 2.484 78 F HA -0.461 4.067 4.527 0.001 0.000 0.231 78 F C 1.800 177.522 175.800 -0.130 0.000 1.469 78 F CA 1.704 59.620 58.000 -0.141 0.000 1.998 78 F CB -1.320 37.582 39.000 -0.163 0.000 0.484 78 F HN 0.531 nan 8.300 nan 0.000 0.213 79 A N -0.081 122.770 122.820 0.051 0.000 2.208 79 A HA 0.344 4.665 4.320 0.001 0.000 0.209 79 A C 0.847 178.396 177.584 -0.058 0.000 1.161 79 A CA 1.056 53.070 52.037 -0.039 0.000 0.782 79 A CB -0.447 18.477 19.000 -0.126 0.000 0.816 79 A HN 0.354 nan 8.150 nan 0.000 0.477 80 S N 0.592 116.257 115.700 -0.058 0.000 2.586 80 S HA 0.334 4.804 4.470 0.001 0.000 0.274 80 S C 0.149 174.717 174.600 -0.053 0.000 1.281 80 S CA -0.494 57.668 58.200 -0.064 0.000 1.035 80 S CB 0.885 64.047 63.200 -0.064 0.000 0.962 80 S HN 0.590 nan 8.310 nan 0.000 0.512 81 E N 0.447 120.619 120.200 -0.047 0.000 2.359 81 E HA 0.606 4.956 4.350 0.001 0.000 0.255 81 E C 0.703 177.287 176.600 -0.026 0.000 1.191 81 E CA -0.256 56.122 56.400 -0.037 0.000 0.952 81 E CB 0.491 30.171 29.700 -0.034 0.000 1.152 81 E HN 0.834 nan 8.360 nan 0.000 0.496 82 G N 0.296 109.084 108.800 -0.020 0.000 2.698 82 G HA2 -0.161 3.800 3.960 0.001 0.000 0.225 82 G HA3 -0.161 3.800 3.960 0.001 0.000 0.225 82 G C -1.099 173.801 174.900 -0.001 0.000 1.345 82 G CA -0.762 44.333 45.100 -0.009 0.000 0.871 82 G HN 0.382 nan 8.290 nan 0.000 0.540 83 E N -0.825 119.380 120.200 0.008 0.000 2.199 83 E HA 0.573 4.923 4.350 0.001 0.000 0.269 83 E C -0.978 175.653 176.600 0.051 0.000 0.899 83 E CA -0.752 55.659 56.400 0.017 0.000 0.772 83 E CB 1.973 31.668 29.700 -0.008 0.000 1.155 83 E HN 0.460 nan 8.360 nan 0.000 0.408 84 F N 2.674 122.564 119.950 -0.099 0.000 2.411 84 F HA 0.356 4.884 4.527 0.000 0.000 0.350 84 F C -0.734 174.984 175.800 -0.135 0.000 1.114 84 F CA -0.612 57.313 58.000 -0.124 0.000 1.135 84 F CB 0.681 39.582 39.000 -0.165 0.000 1.120 84 F HN 0.080 nan 8.300 nan 0.000 0.495 85 V N 7.607 126.957 119.914 -0.940 0.000 2.655 85 V HA 0.301 4.421 4.120 0.001 0.000 0.301 85 V C -2.337 173.049 176.094 -1.181 0.000 1.082 85 V CA -1.816 59.956 62.300 -0.880 0.000 0.899 85 V CB 1.900 33.506 31.823 -0.361 0.000 1.014 85 V HN 0.630 nan 8.190 nan 0.000 0.429 86 P HA 0.204 nan 4.420 nan 0.000 0.266 86 P C 0.357 177.304 177.300 -0.589 0.000 1.195 86 P CA 0.786 63.227 63.100 -1.098 0.000 0.768 86 P CB 0.158 30.950 31.700 -1.512 0.000 0.838 87 H N -0.687 118.408 119.070 0.042 0.000 5.008 87 H HA -0.271 4.286 4.556 0.001 0.000 0.076 87 H C 1.300 176.650 175.328 0.037 0.000 0.562 87 H CA 1.437 57.527 56.048 0.069 0.000 1.089 87 H CB -2.173 27.688 29.762 0.165 0.000 0.500 87 H HN 0.308 nan 8.280 nan 0.000 0.725 88 V N -1.178 118.791 119.914 0.091 0.000 2.568 88 V HA -0.182 3.938 4.120 0.001 0.000 0.253 88 V C 1.478 177.592 176.094 0.033 0.000 1.072 88 V CA 2.518 64.849 62.300 0.050 0.000 1.084 88 V CB -0.064 31.762 31.823 0.006 0.000 0.676 88 V HN 0.487 nan 8.190 nan 0.000 0.469 89 D N -0.541 119.873 120.400 0.023 0.000 2.407 89 D HA 0.047 4.687 4.640 0.001 0.000 0.208 89 D C 1.415 177.746 176.300 0.052 0.000 1.083 89 D CA 0.534 54.551 54.000 0.029 0.000 0.844 89 D CB 0.185 40.993 40.800 0.014 0.000 0.967 89 D HN 0.512 nan 8.370 nan 0.000 0.506 90 D N 1.418 121.864 120.400 0.078 0.000 2.219 90 D HA -0.112 4.528 4.640 0.001 0.000 0.205 90 D C 1.687 178.024 176.300 0.062 0.000 0.970 90 D CA 0.737 54.786 54.000 0.082 0.000 0.851 90 D CB 0.318 41.179 40.800 0.102 0.000 0.943 90 D HN 0.394 nan 8.370 nan 0.000 0.488 91 E N 0.816 121.054 120.200 0.063 0.000 2.028 91 E HA -0.102 4.249 4.350 0.001 0.000 0.191 91 E C 2.171 178.797 176.600 0.044 0.000 0.988 91 E CA 0.837 57.271 56.400 0.057 0.000 0.799 91 E CB 0.026 29.762 29.700 0.060 0.000 0.755 91 E HN 0.149 nan 8.360 nan 0.000 0.447 92 A N 1.592 124.435 122.820 0.039 0.000 1.898 92 A HA -0.187 4.134 4.320 0.001 0.000 0.216 92 A C 1.700 179.300 177.584 0.028 0.000 1.181 92 A CA 1.622 53.677 52.037 0.031 0.000 0.620 92 A CB -0.324 18.691 19.000 0.025 0.000 0.819 92 A HN 0.087 nan 8.150 nan 0.000 0.442 93 D N 0.088 120.505 120.400 0.028 0.000 2.178 93 D HA -0.006 4.634 4.640 0.001 0.000 0.202 93 D C 2.144 178.455 176.300 0.019 0.000 0.974 93 D CA 1.377 55.389 54.000 0.019 0.000 0.841 93 D CB -0.303 40.510 40.800 0.022 0.000 0.953 93 D HN 0.425 nan 8.370 nan 0.000 0.478 94 A N 0.696 123.532 122.820 0.027 0.000 1.897 94 A HA -0.162 4.158 4.320 0.001 0.000 0.215 94 A C 2.113 179.716 177.584 0.032 0.000 1.181 94 A CA 1.484 53.536 52.037 0.024 0.000 0.620 94 A CB -0.485 18.528 19.000 0.022 0.000 0.821 94 A HN 0.230 nan 8.150 nan 0.000 0.443 95 E N -0.065 120.155 120.200 0.035 0.000 2.051 95 E HA -0.244 4.106 4.350 0.001 0.000 0.192 95 E C 1.144 177.772 176.600 0.046 0.000 0.991 95 E CA 1.499 57.921 56.400 0.037 0.000 0.799 95 E CB -0.120 29.600 29.700 0.034 0.000 0.748 95 E HN 0.520 nan 8.360 nan 0.000 0.449 96 D N -0.407 120.020 120.400 0.045 0.000 2.178 96 D HA -0.097 4.543 4.640 0.001 0.000 0.202 96 D C 1.859 178.214 176.300 0.092 0.000 0.974 96 D CA 1.315 55.350 54.000 0.058 0.000 0.841 96 D CB -0.356 40.465 40.800 0.034 0.000 0.953 96 D HN 0.185 nan 8.370 nan 0.000 0.478 97 T N 0.882 115.480 114.554 0.072 0.000 2.812 97 T HA 0.011 4.362 4.350 0.001 0.000 0.264 97 T C 2.229 177.037 174.700 0.181 0.000 1.042 97 T CA 0.368 62.532 62.100 0.108 0.000 1.140 97 T CB -0.141 68.753 68.868 0.043 0.000 0.870 97 T HN 0.099 nan 8.240 nan 0.000 0.445 98 L N 0.843 122.131 121.223 0.109 0.000 2.083 98 L HA -0.090 4.251 4.340 0.001 0.000 0.209 98 L C 2.837 179.751 176.870 0.074 0.000 1.083 98 L CA 0.940 55.830 54.840 0.084 0.000 0.752 98 L CB -0.541 41.546 42.059 0.046 0.000 0.899 98 L HN 0.225 nan 8.230 nan 0.000 0.433 99 S N -1.141 114.609 115.700 0.083 0.000 2.382 99 S HA -0.226 4.244 4.470 0.001 0.000 0.228 99 S C 1.515 176.160 174.600 0.075 0.000 1.027 99 S CA 1.309 59.544 58.200 0.059 0.000 0.991 99 S CB -0.384 62.854 63.200 0.063 0.000 0.823 99 S HN 0.559 nan 8.310 nan 0.000 0.469 100 W N 2.193 123.467 121.300 -0.043 0.000 2.381 100 W HA -0.014 4.647 4.660 0.001 0.000 0.301 100 W C 1.660 178.113 176.519 -0.110 0.000 1.205 100 W CA 0.931 58.244 57.345 -0.053 0.000 1.285 100 W CB -0.415 29.037 29.460 -0.014 0.000 1.133 100 W HN 0.171 nan 8.180 nan 0.000 0.521 101 I N 0.543 121.157 120.570 0.073 0.000 2.163 101 I HA -0.366 3.804 4.170 0.001 0.000 0.243 101 I C 2.374 178.225 176.117 -0.444 0.000 1.085 101 I CA 1.496 62.663 61.300 -0.222 0.000 1.347 101 I CB -0.776 37.258 38.000 0.056 0.000 1.044 101 I HN 0.000 nan 8.210 nan 0.000 0.408 102 L N 0.154 121.231 121.223 -0.244 0.000 2.191 102 L HA -0.195 4.146 4.340 0.001 0.000 0.212 102 L C 2.243 178.935 176.870 -0.297 0.000 1.103 102 L CA 1.267 55.968 54.840 -0.231 0.000 0.769 102 L CB -0.480 41.507 42.059 -0.121 0.000 0.908 102 L HN 0.290 nan 8.230 nan 0.000 0.438 103 E N -0.897 119.090 120.200 -0.355 0.000 2.371 103 E HA -0.057 4.293 4.350 0.001 0.000 0.194 103 E C 0.427 176.731 176.600 -0.493 0.000 1.012 103 E CA -0.016 56.172 56.400 -0.354 0.000 0.860 103 E CB 0.236 29.759 29.700 -0.294 0.000 0.811 103 E HN 0.401 nan 8.360 nan 0.000 0.502 104 Q N -0.109 119.227 119.800 -0.773 0.000 2.394 104 Q HA 0.128 4.468 4.340 0.001 0.000 0.248 104 Q C 0.880 176.443 176.000 -0.728 0.000 0.992 104 Q CA 0.111 55.342 55.803 -0.953 0.000 0.888 104 Q CB 0.923 28.621 28.738 -1.733 0.000 1.257 104 Q HN 0.111 nan 8.270 nan 0.000 0.462 105 A N 2.812 125.329 122.820 -0.506 0.000 2.019 105 A HA -0.131 4.190 4.320 0.001 0.000 0.219 105 A C 1.300 178.807 177.584 -0.128 0.000 1.164 105 A CA 1.276 53.180 52.037 -0.221 0.000 0.644 105 A CB -0.554 18.419 19.000 -0.045 0.000 0.805 105 A HN 0.870 nan 8.150 nan 0.000 0.449 106 W N -2.368 118.885 121.300 -0.078 0.000 3.290 106 W HA 0.380 5.040 4.660 0.000 0.000 0.287 106 W C 0.302 176.794 176.519 -0.044 0.000 1.288 106 W CA -0.538 56.781 57.345 -0.044 0.000 1.725 106 W CB -1.397 28.053 29.460 -0.017 0.000 1.103 106 W HN 0.281 nan 8.180 nan 0.000 0.670 107 C N 5.157 124.279 119.300 -0.296 0.000 2.295 107 C HA 0.216 4.676 4.460 0.001 0.000 0.331 107 C C 1.465 176.371 174.990 -0.140 0.000 1.280 107 C CA -0.423 58.465 59.018 -0.216 0.000 1.746 107 C CB 0.592 28.062 27.740 -0.450 0.000 2.328 107 C HN 0.372 nan 8.230 nan 0.000 0.521 108 D N 2.275 122.637 120.400 -0.064 0.000 2.328 108 D HA 0.202 4.842 4.640 0.001 0.000 0.226 108 D C 1.353 177.616 176.300 -0.061 0.000 1.066 108 D CA 0.734 54.699 54.000 -0.057 0.000 0.861 108 D CB -0.194 40.584 40.800 -0.037 0.000 0.912 108 D HN 1.260 nan 8.370 nan 0.000 0.521 109 G N -0.060 108.695 108.800 -0.075 0.000 2.176 109 G HA2 -0.231 3.729 3.960 0.001 0.000 0.232 109 G HA3 -0.231 3.729 3.960 0.001 0.000 0.232 109 G C -0.271 174.607 174.900 -0.036 0.000 0.986 109 G CA -0.306 44.756 45.100 -0.063 0.000 0.643 109 G HN 0.405 nan 8.290 nan 0.000 0.522 110 N N 0.342 119.028 118.700 -0.023 0.000 2.479 110 N HA 0.536 5.276 4.740 0.001 0.000 0.261 110 N C -0.648 174.871 175.510 0.015 0.000 0.979 110 N CA -0.168 52.883 53.050 0.002 0.000 0.930 110 N CB 2.530 41.024 38.487 0.011 0.000 1.172 110 N HN 0.110 nan 8.380 nan 0.000 0.499 111 V N 0.473 120.395 119.914 0.013 0.000 2.680 111 V HA 0.824 4.944 4.120 0.001 0.000 0.309 111 V C 0.612 176.704 176.094 -0.003 0.000 1.052 111 V CA -0.729 61.578 62.300 0.013 0.000 0.908 111 V CB 1.938 33.770 31.823 0.015 0.000 1.001 111 V HN 0.713 nan 8.190 nan 0.000 0.431 112 G N 2.812 111.575 108.800 -0.061 0.000 2.730 112 G HA2 0.857 4.817 3.960 0.001 0.000 0.289 112 G HA3 0.857 4.817 3.960 0.001 0.000 0.289 112 G C -1.365 173.487 174.900 -0.081 0.000 1.341 112 G CA -0.803 44.233 45.100 -0.107 0.000 0.932 112 G HN 0.522 nan 8.290 nan 0.000 0.481 113 M N -0.200 119.426 119.600 0.043 0.000 2.531 113 M HA 0.622 5.102 4.480 0.001 0.000 0.286 113 M C -1.414 175.095 176.300 0.348 0.000 1.232 113 M CA -0.600 54.746 55.300 0.076 0.000 0.877 113 M CB 2.928 35.512 32.600 -0.027 0.000 1.726 113 M HN 0.675 nan 8.290 nan 0.000 0.463 114 F N -0.716 119.288 119.950 0.091 0.000 2.686 114 F HA 0.997 5.524 4.527 0.001 0.000 0.311 114 F C -0.574 175.256 175.800 0.050 0.000 1.128 114 F CA -0.713 57.415 58.000 0.213 0.000 0.946 114 F CB 1.465 40.753 39.000 0.480 0.000 1.336 114 F HN 0.805 nan 8.300 nan 0.000 0.457 115 G N 0.218 109.085 108.800 0.111 0.000 2.347 115 G HA2 0.473 4.433 3.960 0.001 0.000 0.321 115 G HA3 0.473 4.433 3.960 0.001 0.000 0.321 115 G C -2.712 172.194 174.900 0.009 0.000 1.412 115 G CA -0.248 44.791 45.100 -0.102 0.000 0.990 115 G HN 1.486 nan 8.290 nan 0.000 0.637 116 V N 0.385 120.297 119.914 -0.003 0.000 2.715 116 V HA 0.823 4.943 4.120 0.001 0.000 0.310 116 V C 1.261 177.337 176.094 -0.030 0.000 1.054 116 V CA 1.812 64.102 62.300 -0.016 0.000 0.928 116 V CB 1.172 32.984 31.823 -0.018 0.000 1.007 116 V HN 2.865 nan 8.190 nan 0.000 0.437 117 S N 4.253 119.892 115.700 -0.102 0.000 4.151 117 S HA -0.370 4.100 4.470 0.001 0.000 0.603 117 S C 1.019 175.619 174.600 0.001 0.000 1.878 117 S CA 2.032 60.166 58.200 -0.111 0.000 4.246 117 S CB -1.757 61.558 63.200 0.192 0.000 0.211 117 S HN 1.386 nan 8.310 nan 0.000 0.469 118 Y N 1.840 122.214 120.300 0.123 0.000 2.352 118 Y HA 0.102 4.653 4.550 0.001 0.000 0.292 118 Y C 1.921 177.836 175.900 0.025 0.000 1.136 118 Y CA 2.022 60.212 58.100 0.150 0.000 1.227 118 Y CB -0.217 38.408 38.460 0.274 0.000 0.991 118 Y HN 0.399 nan 8.280 nan 0.000 0.545 119 L N -0.776 120.520 121.223 0.122 0.000 2.552 119 L HA 0.053 4.394 4.340 0.001 0.000 0.227 119 L C 2.332 179.116 176.870 -0.144 0.000 1.146 119 L CA 1.393 56.164 54.840 -0.114 0.000 0.858 119 L CB -0.877 40.966 42.059 -0.361 0.000 0.969 119 L HN 0.284 nan 8.230 nan 0.000 0.451 120 G N -1.829 106.920 108.800 -0.086 0.000 2.641 120 G HA2 -0.001 3.959 3.960 0.001 0.000 0.207 120 G HA3 -0.001 3.959 3.960 0.001 0.000 0.207 120 G C 1.478 176.344 174.900 -0.056 0.000 1.137 120 G CA 0.416 45.462 45.100 -0.091 0.000 0.824 120 G HN 0.116 nan 8.290 nan 0.000 0.547 121 V N 2.408 122.309 119.914 -0.022 0.000 2.407 121 V HA -0.194 3.926 4.120 0.001 0.000 0.248 121 V C 3.300 179.399 176.094 0.008 0.000 1.055 121 V CA 2.461 64.790 62.300 0.047 0.000 1.049 121 V CB -0.987 30.793 31.823 -0.072 0.000 0.662 121 V HN 0.611 nan 8.190 nan 0.000 0.455 122 T N -1.927 112.569 114.554 -0.096 0.000 2.977 122 T HA -0.232 4.118 4.350 0.001 0.000 0.271 122 T C 1.663 176.330 174.700 -0.054 0.000 1.105 122 T CA 1.348 63.408 62.100 -0.066 0.000 1.116 122 T CB -0.287 68.547 68.868 -0.055 0.000 0.878 122 T HN 0.586 nan 8.240 nan 0.000 0.509 123 Q N -0.273 119.456 119.800 -0.118 0.000 2.137 123 Q HA 0.038 4.378 4.340 0.001 0.000 0.198 123 Q C 1.913 177.798 176.000 -0.192 0.000 0.960 123 Q CA 1.103 56.786 55.803 -0.201 0.000 0.847 123 Q CB -0.234 28.305 28.738 -0.330 0.000 0.915 123 Q HN 0.700 nan 8.270 nan 0.000 0.448 124 W N 1.426 122.734 121.300 0.012 0.000 2.402 124 W HA -0.115 4.545 4.660 0.000 0.000 0.286 124 W C 2.163 178.693 176.519 0.019 0.000 1.221 124 W CA 0.506 57.865 57.345 0.024 0.000 1.257 124 W CB 0.187 29.669 29.460 0.036 0.000 1.120 124 W HN 0.195 nan 8.180 nan 0.000 0.551 125 Q N -0.293 119.628 119.800 0.203 0.000 2.230 125 Q HA -0.087 4.253 4.340 0.001 0.000 0.202 125 Q C 2.341 178.393 176.000 0.088 0.000 0.963 125 Q CA 1.338 57.219 55.803 0.130 0.000 0.866 125 Q CB -0.303 28.489 28.738 0.091 0.000 0.931 125 Q HN 0.298 nan 8.270 nan 0.000 0.452 126 A N 0.668 123.521 122.820 0.055 0.000 1.975 126 A HA 0.123 4.443 4.320 0.001 0.000 0.215 126 A C 2.219 179.828 177.584 0.041 0.000 1.170 126 A CA 0.993 53.048 52.037 0.031 0.000 0.656 126 A CB -0.391 18.607 19.000 -0.005 0.000 0.821 126 A HN 0.335 nan 8.150 nan 0.000 0.449 127 A N 0.207 123.060 122.820 0.056 0.000 1.972 127 A HA 0.003 4.323 4.320 0.001 0.000 0.219 127 A C 2.085 179.729 177.584 0.099 0.000 1.169 127 A CA 1.818 53.900 52.037 0.076 0.000 0.635 127 A CB -1.026 18.040 19.000 0.110 0.000 0.810 127 A HN 1.117 nan 8.150 nan 0.000 0.446 128 V N -1.211 118.772 119.914 0.115 0.000 3.510 128 V HA -0.052 4.068 4.120 0.001 0.000 0.270 128 V C 2.054 178.184 176.094 0.059 0.000 1.201 128 V CA 1.688 64.041 62.300 0.088 0.000 1.166 128 V CB -1.067 30.812 31.823 0.094 0.000 0.825 128 V HN 0.626 nan 8.190 nan 0.000 0.484 129 S N 0.666 116.398 115.700 0.053 0.000 2.428 129 S HA 0.192 4.662 4.470 0.001 0.000 0.230 129 S C 1.895 176.513 174.600 0.030 0.000 1.014 129 S CA 1.011 59.234 58.200 0.039 0.000 0.957 129 S CB -0.484 62.738 63.200 0.037 0.000 0.784 129 S HN 1.868 nan 8.310 nan 0.000 0.499 130 G N 0.365 109.183 108.800 0.030 0.000 2.137 130 G HA2 -0.217 3.743 3.960 0.001 0.000 0.237 130 G HA3 -0.217 3.743 3.960 0.001 0.000 0.237 130 G C -0.032 174.878 174.900 0.016 0.000 1.002 130 G CA -0.001 45.112 45.100 0.022 0.000 0.702 130 G HN 0.728 nan 8.290 nan 0.000 0.515 131 V N 1.075 120.999 119.914 0.018 0.000 2.439 131 V HA 0.445 4.565 4.120 0.001 0.000 0.271 131 V C 2.014 178.112 176.094 0.007 0.000 1.040 131 V CA 0.917 63.224 62.300 0.012 0.000 1.002 131 V CB 0.844 32.676 31.823 0.015 0.000 1.000 131 V HN 0.572 nan 8.190 nan 0.000 0.477 132 G N 4.314 113.116 108.800 0.002 0.000 2.450 132 G HA2 -0.160 3.800 3.960 0.001 0.000 0.220 132 G HA3 -0.160 3.800 3.960 0.001 0.000 0.220 132 G C 1.495 176.393 174.900 -0.003 0.000 1.130 132 G CA 0.802 45.902 45.100 -0.001 0.000 0.760 132 G HN 0.885 nan 8.290 nan 0.000 0.557 133 G N -0.072 108.724 108.800 -0.007 0.000 2.471 133 G HA2 0.043 4.004 3.960 0.001 0.000 0.219 133 G HA3 0.043 4.004 3.960 0.001 0.000 0.219 133 G C 0.695 175.594 174.900 -0.001 0.000 1.125 133 G CA 0.016 45.110 45.100 -0.010 0.000 0.775 133 G HN 0.407 nan 8.290 nan 0.000 0.548 134 L N 1.179 122.405 121.223 0.005 0.000 2.363 134 L HA 0.360 4.700 4.340 0.001 0.000 0.286 134 L C 1.047 177.924 176.870 0.011 0.000 1.106 134 L CA -0.323 54.523 54.840 0.010 0.000 0.859 134 L CB 0.733 42.798 42.059 0.010 0.000 1.223 134 L HN -0.162 nan 8.230 nan 0.000 0.446 135 K N 4.021 124.434 120.400 0.021 0.000 2.323 135 K HA 0.460 4.780 4.320 0.001 0.000 0.197 135 K C 0.166 176.767 176.600 0.000 0.000 1.043 135 K CA 0.702 57.000 56.287 0.018 0.000 0.997 135 K CB 0.297 32.824 32.500 0.044 0.000 0.807 135 K HN 0.602 nan 8.250 nan 0.000 0.497 136 A N 1.048 123.906 122.820 0.064 0.000 2.594 136 A HA 0.617 4.937 4.320 0.001 0.000 0.296 136 A C -1.139 176.600 177.584 0.258 0.000 1.056 136 A CA -0.949 51.168 52.037 0.133 0.000 0.693 136 A CB 0.893 19.980 19.000 0.145 0.000 1.278 136 A HN 0.167 nan 8.150 nan 0.000 0.408 137 I N -1.964 118.750 120.570 0.240 0.000 3.002 137 I HA 0.953 5.123 4.170 0.001 0.000 0.310 137 I C -0.059 176.137 176.117 0.132 0.000 1.087 137 I CA -1.112 60.265 61.300 0.129 0.000 1.017 137 I CB 2.610 40.495 38.000 -0.192 0.000 1.226 137 I HN 1.081 nan 8.210 nan 0.000 0.443 138 A N 3.780 126.658 122.820 0.096 0.000 3.127 138 A HA 0.598 4.919 4.320 0.001 0.000 0.319 138 A C -2.862 174.738 177.584 0.026 0.000 1.104 138 A CA -1.199 50.838 52.037 0.000 0.000 0.802 138 A CB 0.051 19.101 19.000 0.084 0.000 1.193 138 A HN 0.545 nan 8.150 nan 0.000 0.479 139 P HA 0.234 nan 4.420 nan 0.000 0.287 139 P C -0.191 177.134 177.300 0.040 0.000 1.294 139 P CA 0.280 63.330 63.100 -0.084 0.000 0.776 139 P CB 1.623 33.159 31.700 -0.273 0.000 0.889 140 S N 4.232 119.961 115.700 0.048 0.000 2.475 140 S HA 0.454 4.924 4.470 0.001 0.000 0.298 140 S C 0.660 175.244 174.600 -0.028 0.000 1.119 140 S CA -0.510 57.722 58.200 0.052 0.000 1.085 140 S CB -0.130 63.122 63.200 0.087 0.000 1.028 140 S HN 0.455 nan 8.310 nan 0.000 0.489 141 M N 1.808 121.398 119.600 -0.017 0.000 2.212 141 M HA -0.260 4.220 4.480 0.001 0.000 0.193 141 M C 0.083 176.157 176.300 -0.376 0.000 0.493 141 M CA 0.772 56.023 55.300 -0.080 0.000 0.427 141 M CB -2.144 30.420 32.600 -0.061 0.000 1.120 141 M HN 0.655 nan 8.290 nan 0.000 0.929 142 A N -0.251 122.489 122.820 -0.133 0.000 2.347 142 A HA 0.933 5.254 4.320 0.001 0.000 0.301 142 A C -0.099 177.634 177.584 0.248 0.000 1.163 142 A CA -0.062 51.929 52.037 -0.076 0.000 0.860 142 A CB 2.152 21.226 19.000 0.123 0.000 1.367 142 A HN 0.377 nan 8.150 nan 0.000 0.461 143 S N -2.269 113.622 115.700 0.319 0.000 2.564 143 S HA 0.601 5.071 4.470 0.001 0.000 0.274 143 S C -0.118 174.546 174.600 0.106 0.000 1.124 143 S CA 0.267 58.600 58.200 0.222 0.000 0.869 143 S CB 1.734 65.074 63.200 0.234 0.000 1.105 143 S HN 1.880 nan 8.310 nan 0.000 0.472 144 A N 2.001 124.777 122.820 -0.074 0.000 2.470 144 A HA 0.405 4.726 4.320 0.001 0.000 0.251 144 A C 0.003 177.601 177.584 0.023 0.000 1.245 144 A CA -0.045 51.926 52.037 -0.110 0.000 0.932 144 A CB 0.073 18.826 19.000 -0.411 0.000 1.037 144 A HN 0.672 nan 8.150 nan 0.000 0.522 145 D N 0.639 121.033 120.400 -0.010 0.000 2.386 145 D HA 0.234 4.875 4.640 0.001 0.000 0.247 145 D C 0.471 176.750 176.300 -0.034 0.000 1.336 145 D CA -0.375 53.621 54.000 -0.006 0.000 0.976 145 D CB 0.963 41.704 40.800 -0.099 0.000 1.257 145 D HN -0.054 nan 8.370 nan 0.000 0.570 146 L N 3.093 124.336 121.223 0.033 0.000 2.191 146 L HA -0.145 4.195 4.340 0.001 0.000 0.212 146 L C 1.871 178.704 176.870 -0.062 0.000 1.103 146 L CA 1.246 56.096 54.840 0.016 0.000 0.769 146 L CB -1.358 40.802 42.059 0.168 0.000 0.908 146 L HN 0.562 nan 8.230 nan 0.000 0.438 147 Y N 1.196 121.322 120.300 -0.290 0.000 2.153 147 Y HA -0.165 4.386 4.550 0.000 0.000 0.289 147 Y C 2.834 178.506 175.900 -0.380 0.000 1.127 147 Y CA 1.478 59.163 58.100 -0.692 0.000 1.131 147 Y CB -0.034 37.925 38.460 -0.835 0.000 0.995 147 Y HN 0.002 nan 8.280 nan 0.000 0.505 148 R N 0.337 120.762 120.500 -0.126 0.000 2.152 148 R HA 0.135 4.475 4.340 0.001 0.000 0.232 148 R C -0.070 176.079 176.300 -0.253 0.000 1.117 148 R CA 0.820 56.822 56.100 -0.163 0.000 0.981 148 R CB -0.112 30.104 30.300 -0.140 0.000 0.870 148 R HN 0.270 nan 8.270 nan 0.000 0.451 149 A N 0.041 122.664 122.820 -0.328 0.000 2.532 149 A HA 0.318 4.638 4.320 0.001 0.000 0.296 149 A C -2.478 174.689 177.584 -0.695 0.000 1.058 149 A CA -1.125 50.601 52.037 -0.517 0.000 0.729 149 A CB 1.580 20.322 19.000 -0.429 0.000 1.285 149 A HN -0.106 nan 8.150 nan 0.000 0.396 150 P HA 0.114 nan 4.420 nan 0.000 0.267 150 P C 0.514 177.346 177.300 -0.781 0.000 1.289 150 P CA 0.261 62.641 63.100 -1.200 0.000 0.866 150 P CB 0.008 30.728 31.700 -1.633 0.000 1.309 151 W N -0.954 120.194 121.300 -0.253 0.000 2.409 151 W HA -0.021 4.639 4.660 0.001 0.000 0.299 151 W C 1.554 177.775 176.519 -0.497 0.000 1.203 151 W CA 0.189 57.384 57.345 -0.250 0.000 1.298 151 W CB -0.678 28.773 29.460 -0.015 0.000 1.127 151 W HN -0.091 nan 8.180 nan 0.000 0.528 152 Y N -1.079 118.936 120.300 -0.474 0.000 2.915 152 Y HA 0.685 5.235 4.550 0.000 0.000 0.244 152 Y C 0.936 176.583 175.900 -0.423 0.000 1.600 152 Y CA 0.085 57.820 58.100 -0.609 0.000 1.161 152 Y CB 0.218 37.801 38.460 -1.462 0.000 1.151 152 Y HN -0.236 nan 8.280 nan 0.000 0.603 153 G N -1.089 107.522 108.800 -0.314 0.000 2.328 153 G HA2 0.231 4.192 3.960 0.001 0.000 0.295 153 G HA3 0.231 4.192 3.960 0.001 0.000 0.295 153 G C -2.674 172.165 174.900 -0.101 0.000 1.413 153 G CA -0.680 44.332 45.100 -0.147 0.000 0.817 153 G HN 0.087 nan 8.290 nan 0.000 0.546 154 P HA 0.027 nan 4.420 nan 0.000 0.225 154 P C 1.459 178.730 177.300 -0.049 0.000 1.148 154 P CA 1.523 64.594 63.100 -0.049 0.000 0.779 154 P CB 0.190 31.858 31.700 -0.053 0.000 0.780 155 G N -0.862 107.886 108.800 -0.087 0.000 2.986 155 G HA2 0.272 4.233 3.960 0.001 0.000 0.213 155 G HA3 0.272 4.233 3.960 0.001 0.000 0.213 155 G C 1.093 175.967 174.900 -0.043 0.000 1.156 155 G CA 0.423 45.473 45.100 -0.084 0.000 0.763 155 G HN 0.407 nan 8.290 nan 0.000 0.547 156 G N -1.074 107.673 108.800 -0.088 0.000 2.137 156 G HA2 0.177 4.138 3.960 0.001 0.000 0.237 156 G HA3 0.177 4.138 3.960 0.001 0.000 0.237 156 G C 0.274 175.205 174.900 0.052 0.000 1.002 156 G CA 0.225 45.229 45.100 -0.161 0.000 0.702 156 G HN 1.351 nan 8.290 nan 0.000 0.515 157 A N -0.508 122.318 122.820 0.011 0.000 2.324 157 A HA 0.846 5.166 4.320 0.001 0.000 0.330 157 A C 0.105 177.743 177.584 0.090 0.000 1.165 157 A CA -0.561 51.524 52.037 0.079 0.000 0.813 157 A CB 1.399 20.335 19.000 -0.106 0.000 1.197 157 A HN 1.533 nan 8.150 nan 0.000 0.484 158 L N 2.067 123.279 121.223 -0.017 0.000 2.410 158 L HA 0.294 4.634 4.340 0.001 0.000 0.273 158 L C 0.398 177.180 176.870 -0.147 0.000 1.144 158 L CA 0.730 55.290 54.840 -0.467 0.000 0.863 158 L CB 0.920 42.724 42.059 -0.425 0.000 1.140 158 L HN 0.489 nan 8.230 nan 0.000 0.463 159 S N 4.609 120.176 115.700 -0.221 0.000 3.869 159 S HA 0.041 4.511 4.470 0.001 0.000 0.241 159 S C 1.322 175.865 174.600 -0.095 0.000 1.363 159 S CA -0.065 58.047 58.200 -0.147 0.000 0.894 159 S CB 0.324 63.418 63.200 -0.178 0.000 1.519 159 S HN 0.678 nan 8.310 nan 0.000 0.470 160 V N 3.111 122.973 119.914 -0.087 0.000 2.392 160 V HA -0.265 3.855 4.120 0.001 0.000 0.249 160 V C 2.359 178.435 176.094 -0.030 0.000 1.059 160 V CA 2.617 64.888 62.300 -0.049 0.000 1.051 160 V CB -0.311 31.508 31.823 -0.007 0.000 0.658 160 V HN 0.853 nan 8.190 nan 0.000 0.455 161 E N 1.004 121.159 120.200 -0.075 0.000 2.106 161 E HA -0.071 4.280 4.350 0.001 0.000 0.192 161 E C 2.032 178.725 176.600 0.154 0.000 0.984 161 E CA 1.694 58.092 56.400 -0.004 0.000 0.806 161 E CB -0.876 28.800 29.700 -0.040 0.000 0.750 161 E HN 0.546 nan 8.360 nan 0.000 0.458 162 A N 0.987 123.912 122.820 0.176 0.000 1.898 162 A HA -0.049 4.271 4.320 0.001 0.000 0.216 162 A C 2.213 180.094 177.584 0.494 0.000 1.181 162 A CA 1.402 53.651 52.037 0.353 0.000 0.620 162 A CB -0.765 18.332 19.000 0.161 0.000 0.819 162 A HN 0.320 nan 8.150 nan 0.000 0.442 163 L N -0.078 121.385 121.223 0.399 0.000 1.994 163 L HA -0.087 4.253 4.340 0.001 0.000 0.208 163 L C 2.307 179.294 176.870 0.195 0.000 1.071 163 L CA 1.788 56.817 54.840 0.316 0.000 0.745 163 L CB -0.488 41.617 42.059 0.077 0.000 0.892 163 L HN 0.401 nan 8.230 nan 0.000 0.431 164 L N -0.949 120.332 121.223 0.096 0.000 2.093 164 L HA -0.063 4.277 4.340 0.001 0.000 0.208 164 L C 2.497 179.352 176.870 -0.025 0.000 1.085 164 L CA 1.056 55.921 54.840 0.042 0.000 0.755 164 L CB -1.420 40.655 42.059 0.026 0.000 0.904 164 L HN 0.469 nan 8.230 nan 0.000 0.435 165 G N -0.697 108.038 108.800 -0.109 0.000 2.404 165 G HA2 -0.298 3.662 3.960 0.001 0.000 0.215 165 G HA3 -0.298 3.662 3.960 0.001 0.000 0.215 165 G C 1.297 175.655 174.900 -0.905 0.000 1.174 165 G CA 0.328 45.142 45.100 -0.477 0.000 0.780 165 G HN 0.429 nan 8.290 nan 0.000 0.537 166 W N 1.802 122.560 121.300 -0.903 0.000 2.388 166 W HA 0.009 4.669 4.660 0.001 0.000 0.294 166 W C 2.792 179.293 176.519 -0.030 0.000 1.212 166 W CA 1.536 58.653 57.345 -0.379 0.000 1.271 166 W CB -0.076 29.577 29.460 0.320 0.000 1.126 166 W HN 0.182 nan 8.180 nan 0.000 0.535 167 S N 0.267 116.053 115.700 0.144 0.000 2.382 167 S HA -0.168 4.302 4.470 0.001 0.000 0.228 167 S C 1.954 176.500 174.600 -0.089 0.000 1.027 167 S CA 1.384 59.613 58.200 0.048 0.000 0.991 167 S CB -0.815 62.486 63.200 0.168 0.000 0.823 167 S HN 0.363 nan 8.310 nan 0.000 0.469 168 A N 0.940 123.706 122.820 -0.091 0.000 1.968 168 A HA 0.076 4.397 4.320 0.001 0.000 0.217 168 A C 2.062 179.598 177.584 -0.079 0.000 1.169 168 A CA 0.909 52.906 52.037 -0.066 0.000 0.638 168 A CB -0.484 18.494 19.000 -0.037 0.000 0.812 168 A HN 0.416 nan 8.150 nan 0.000 0.446 169 L N -0.392 120.740 121.223 -0.153 0.000 2.072 169 L HA -0.032 4.309 4.340 0.001 0.000 0.205 169 L C 2.003 178.786 176.870 -0.146 0.000 1.079 169 L CA 1.499 56.282 54.840 -0.095 0.000 0.752 169 L CB -0.241 41.789 42.059 -0.047 0.000 0.906 169 L HN 0.293 nan 8.230 nan 0.000 0.436 170 I N -0.228 120.125 120.570 -0.362 0.000 2.439 170 I HA -0.110 4.060 4.170 0.001 0.000 0.251 170 I C 2.434 178.418 176.117 -0.223 0.000 1.139 170 I CA 1.271 62.328 61.300 -0.405 0.000 1.438 170 I CB -1.909 35.627 38.000 -0.772 0.000 1.085 170 I HN 0.403 nan 8.210 nan 0.000 0.427 171 G N 0.309 109.016 108.800 -0.155 0.000 2.422 171 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 171 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 171 G C 1.635 176.499 174.900 -0.060 0.000 1.146 171 G CA 1.228 46.270 45.100 -0.097 0.000 0.769 171 G HN 0.317 nan 8.290 nan 0.000 0.547 172 T N 0.693 115.261 114.554 0.023 0.000 2.867 172 T HA 0.020 4.370 4.350 0.001 0.000 0.268 172 T C 2.449 177.252 174.700 0.173 0.000 1.057 172 T CA 1.256 63.476 62.100 0.199 0.000 1.136 172 T CB -0.238 68.757 68.868 0.213 0.000 0.874 172 T HN 0.338 nan 8.240 nan 0.000 0.466 173 G N 0.828 109.658 108.800 0.050 0.000 2.430 173 G HA2 0.013 3.973 3.960 0.001 0.000 0.216 173 G HA3 0.013 3.973 3.960 0.001 0.000 0.216 173 G C 1.457 176.196 174.900 -0.269 0.000 1.146 173 G CA 0.051 45.162 45.100 0.018 0.000 0.793 173 G HN 0.411 nan 8.290 nan 0.000 0.537 174 L N 0.020 121.094 121.223 -0.247 0.000 2.156 174 L HA 0.113 4.453 4.340 0.001 0.000 0.208 174 L C 2.683 179.401 176.870 -0.254 0.000 1.095 174 L CA 0.464 55.132 54.840 -0.286 0.000 0.770 174 L CB -0.144 41.801 42.059 -0.190 0.000 0.914 174 L HN 0.206 nan 8.230 nan 0.000 0.439 175 I N -1.135 119.309 120.570 -0.211 0.000 2.277 175 I HA -0.222 3.949 4.170 0.001 0.000 0.243 175 I C 2.256 178.287 176.117 -0.144 0.000 1.094 175 I CA 1.277 62.432 61.300 -0.242 0.000 1.393 175 I CB -0.182 37.531 38.000 -0.478 0.000 1.078 175 I HN 0.099 nan 8.210 nan 0.000 0.417 176 T N -0.507 114.038 114.554 -0.015 0.000 3.284 176 T HA 0.012 4.362 4.350 0.001 0.000 0.252 176 T C 1.202 175.844 174.700 -0.096 0.000 1.144 176 T CA 1.019 63.165 62.100 0.077 0.000 1.021 176 T CB -0.282 68.739 68.868 0.254 0.000 0.984 176 T HN 0.467 nan 8.240 nan 0.000 0.545 177 S N -0.508 115.025 115.700 -0.279 0.000 2.817 177 S HA 0.270 4.740 4.470 0.001 0.000 0.262 177 S C 0.574 175.020 174.600 -0.257 0.000 1.051 177 S CA -0.928 57.041 58.200 -0.386 0.000 1.185 177 S CB 0.150 62.754 63.200 -0.994 0.000 1.152 177 S HN 0.643 nan 8.310 nan 0.000 0.653 178 R N 1.697 122.082 120.500 -0.192 0.000 2.517 178 R HA 0.618 4.958 4.340 0.001 0.000 0.250 178 R C -0.183 176.064 176.300 -0.089 0.000 1.213 178 R CA -0.055 55.961 56.100 -0.139 0.000 1.146 178 R CB -0.239 29.981 30.300 -0.133 0.000 1.279 178 R HN 0.173 nan 8.270 nan 0.000 0.597 179 S N 0.881 116.538 115.700 -0.071 0.000 2.437 179 S HA 0.089 4.559 4.470 0.001 0.000 0.304 179 S C -0.539 174.036 174.600 -0.042 0.000 1.167 179 S CA -0.523 57.648 58.200 -0.048 0.000 1.106 179 S CB -0.548 62.627 63.200 -0.042 0.000 1.099 179 S HN 0.655 nan 8.310 nan 0.000 0.524 180 D N 0.577 120.958 120.400 -0.031 0.000 10.912 180 D HA -0.151 4.490 4.640 0.001 0.000 0.354 180 D C 0.010 176.294 176.300 -0.027 0.000 3.124 180 D CA 1.010 54.997 54.000 -0.022 0.000 2.650 180 D CB -0.459 40.330 40.800 -0.019 0.000 1.178 180 D HN 0.991 nan 8.370 nan 0.000 0.937 181 A N 2.925 125.736 122.820 -0.014 0.000 2.395 181 A HA 0.332 4.653 4.320 0.001 0.000 0.286 181 A C 0.690 178.261 177.584 -0.022 0.000 1.193 181 A CA 0.051 52.081 52.037 -0.013 0.000 0.852 181 A CB 0.356 19.363 19.000 0.011 0.000 1.118 181 A HN 0.314 nan 8.150 nan 0.000 0.524 182 R N 3.039 123.513 120.500 -0.043 0.000 2.459 182 R HA 0.293 4.633 4.340 0.001 0.000 0.281 182 R C -1.848 174.429 176.300 -0.039 0.000 1.050 182 R CA -1.640 54.432 56.100 -0.045 0.000 1.055 182 R CB 0.477 30.738 30.300 -0.066 0.000 1.045 182 R HN 0.411 nan 8.270 nan 0.000 0.495 183 P HA -0.188 nan 4.420 nan 0.000 0.220 183 P C 0.660 177.945 177.300 -0.025 0.000 1.148 183 P CA 1.057 64.146 63.100 -0.018 0.000 0.803 183 P CB 0.245 31.937 31.700 -0.014 0.000 0.782 184 E N -0.930 119.243 120.200 -0.044 0.000 2.478 184 E HA -0.096 4.254 4.350 0.001 0.000 0.194 184 E C 0.710 177.255 176.600 -0.093 0.000 1.045 184 E CA 0.609 56.976 56.400 -0.055 0.000 0.868 184 E CB -0.688 28.978 29.700 -0.056 0.000 0.885 184 E HN 0.193 nan 8.360 nan 0.000 0.505 185 D N 2.265 122.591 120.400 -0.124 0.000 2.123 185 D HA -0.105 4.535 4.640 0.001 0.000 0.196 185 D C 1.927 178.109 176.300 -0.197 0.000 0.992 185 D CA 1.982 55.832 54.000 -0.251 0.000 0.833 185 D CB -0.215 40.448 40.800 -0.230 0.000 0.954 185 D HN 0.364 nan 8.370 nan 0.000 0.455 186 A N 0.841 123.666 122.820 0.009 0.000 1.902 186 A HA -0.019 4.301 4.320 0.001 0.000 0.217 186 A C 2.290 179.942 177.584 0.113 0.000 1.181 186 A CA 2.155 54.279 52.037 0.144 0.000 0.623 186 A CB -0.645 18.417 19.000 0.104 0.000 0.818 186 A HN 0.239 nan 8.150 nan 0.000 0.443 187 A N -0.242 122.600 122.820 0.036 0.000 1.929 187 A HA -0.107 4.213 4.320 0.001 0.000 0.216 187 A C 1.738 179.334 177.584 0.020 0.000 1.176 187 A CA 1.747 53.802 52.037 0.029 0.000 0.628 187 A CB -0.468 18.536 19.000 0.006 0.000 0.816 187 A HN 0.424 nan 8.150 nan 0.000 0.444 188 D N -0.851 119.524 120.400 -0.041 0.000 2.144 188 D HA -0.081 4.559 4.640 0.001 0.000 0.200 188 D C 1.483 177.778 176.300 -0.009 0.000 0.978 188 D CA 0.883 54.836 54.000 -0.077 0.000 0.833 188 D CB -0.362 40.323 40.800 -0.191 0.000 0.961 188 D HN 0.382 nan 8.370 nan 0.000 0.470 189 F N 0.725 120.672 119.950 -0.004 0.000 2.134 189 F HA -0.139 4.388 4.527 0.000 0.000 0.299 189 F C 2.436 178.239 175.800 0.006 0.000 1.097 189 F CA 0.449 58.449 58.000 -0.000 0.000 1.264 189 F CB -0.792 38.209 39.000 0.002 0.000 1.001 189 F HN -0.147 nan 8.300 nan 0.000 0.479 190 V N -0.625 119.416 119.914 0.212 0.000 2.427 190 V HA -0.266 3.855 4.120 0.001 0.000 0.248 190 V C 2.180 178.327 176.094 0.089 0.000 1.051 190 V CA 1.668 64.040 62.300 0.119 0.000 1.048 190 V CB -0.746 31.129 31.823 0.087 0.000 0.666 190 V HN 0.332 nan 8.190 nan 0.000 0.456 191 Q N -0.420 119.426 119.800 0.076 0.000 2.119 191 Q HA -0.080 4.261 4.340 0.001 0.000 0.201 191 Q C 2.285 178.319 176.000 0.057 0.000 0.972 191 Q CA 1.294 57.129 55.803 0.053 0.000 0.847 191 Q CB -0.156 28.600 28.738 0.031 0.000 0.903 191 Q HN 0.544 nan 8.270 nan 0.000 0.433 192 L N -0.091 121.177 121.223 0.075 0.000 2.156 192 L HA -0.112 4.229 4.340 0.001 0.000 0.208 192 L C 2.411 179.330 176.870 0.081 0.000 1.095 192 L CA 0.803 55.688 54.840 0.074 0.000 0.770 192 L CB -0.430 41.689 42.059 0.099 0.000 0.914 192 L HN 0.184 nan 8.230 nan 0.000 0.439 193 A N -0.026 122.850 122.820 0.093 0.000 1.969 193 A HA -0.083 4.238 4.320 0.001 0.000 0.218 193 A C 2.512 180.136 177.584 0.067 0.000 1.169 193 A CA 1.456 53.539 52.037 0.077 0.000 0.635 193 A CB -0.541 18.500 19.000 0.069 0.000 0.810 193 A HN 0.371 nan 8.150 nan 0.000 0.445 194 A N -0.103 122.755 122.820 0.063 0.000 1.969 194 A HA -0.016 4.305 4.320 0.001 0.000 0.218 194 A C 2.074 179.695 177.584 0.061 0.000 1.169 194 A CA 1.381 53.452 52.037 0.057 0.000 0.635 194 A CB -0.500 18.530 19.000 0.051 0.000 0.810 194 A HN 0.493 nan 8.150 nan 0.000 0.445 195 I N -0.576 120.030 120.570 0.060 0.000 2.233 195 I HA -0.207 3.964 4.170 0.001 0.000 0.243 195 I C 2.218 178.381 176.117 0.076 0.000 1.093 195 I CA 0.997 62.332 61.300 0.059 0.000 1.380 195 I CB -0.263 37.762 38.000 0.043 0.000 1.067 195 I HN 0.256 nan 8.210 nan 0.000 0.413 196 L N 0.537 121.809 121.223 0.082 0.000 2.201 196 L HA -0.165 4.175 4.340 0.001 0.000 0.212 196 L C 1.958 178.898 176.870 0.117 0.000 1.105 196 L CA 0.911 55.819 54.840 0.113 0.000 0.775 196 L CB -0.555 41.573 42.059 0.116 0.000 0.913 196 L HN 0.317 nan 8.230 nan 0.000 0.440 197 N N -0.863 117.892 118.700 0.092 0.000 2.416 197 N HA -0.070 4.670 4.740 0.001 0.000 0.177 197 N C 0.093 175.660 175.510 0.094 0.000 1.036 197 N CA 0.798 53.896 53.050 0.080 0.000 0.901 197 N CB 0.183 38.707 38.487 0.062 0.000 0.976 197 N HN 0.162 nan 8.380 nan 0.000 0.444 198 D N -0.263 120.201 120.400 0.107 0.000 2.668 198 D HA 0.143 4.783 4.640 0.001 0.000 0.247 198 D C 0.713 177.082 176.300 0.115 0.000 1.268 198 D CA -0.186 53.888 54.000 0.123 0.000 0.842 198 D CB 0.335 41.191 40.800 0.093 0.000 1.399 198 D HN -0.298 nan 8.370 nan 0.000 0.530 199 V N 1.392 121.400 119.914 0.157 0.000 2.515 199 V HA -0.083 4.038 4.120 0.001 0.000 0.250 199 V C 2.557 178.611 176.094 -0.067 0.000 1.058 199 V CA 1.819 64.167 62.300 0.080 0.000 1.064 199 V CB -0.628 31.283 31.823 0.146 0.000 0.675 199 V HN 0.516 nan 8.190 nan 0.000 0.461 200 A N 1.059 123.779 122.820 -0.167 0.000 1.898 200 A HA -0.048 4.272 4.320 0.001 0.000 0.216 200 A C 2.416 180.008 177.584 0.013 0.000 1.181 200 A CA 1.874 53.718 52.037 -0.320 0.000 0.620 200 A CB -1.149 17.634 19.000 -0.362 0.000 0.819 200 A HN 0.511 nan 8.150 nan 0.000 0.442 201 G N -0.744 108.095 108.800 0.065 0.000 2.422 201 G HA2 0.081 4.042 3.960 0.001 0.000 0.218 201 G HA3 0.081 4.042 3.960 0.001 0.000 0.218 201 G C 1.654 176.610 174.900 0.094 0.000 1.140 201 G CA 1.227 46.387 45.100 0.100 0.000 0.775 201 G HN 0.761 nan 8.290 nan 0.000 0.545 202 A N 0.933 123.794 122.820 0.069 0.000 1.968 202 A HA 0.423 4.744 4.320 0.001 0.000 0.217 202 A C 2.623 180.254 177.584 0.079 0.000 1.169 202 A CA 1.840 53.914 52.037 0.062 0.000 0.638 202 A CB -0.434 18.594 19.000 0.047 0.000 0.812 202 A HN 0.678 nan 8.150 nan 0.000 0.446 203 A N -0.889 121.985 122.820 0.090 0.000 2.169 203 A HA 0.171 4.491 4.320 0.001 0.000 0.212 203 A C 2.035 179.835 177.584 0.360 0.000 1.153 203 A CA 1.263 53.396 52.037 0.160 0.000 0.756 203 A CB -0.364 18.631 19.000 -0.009 0.000 0.813 203 A HN 0.364 nan 8.150 nan 0.000 0.471 204 S N -0.182 115.711 115.700 0.322 0.000 2.562 204 S HA 0.084 4.554 4.470 0.001 0.000 0.221 204 S C 0.843 175.492 174.600 0.082 0.000 0.975 204 S CA 0.400 58.726 58.200 0.210 0.000 0.918 204 S CB -0.523 62.780 63.200 0.172 0.000 0.772 204 S HN 0.634 nan 8.310 nan 0.000 0.531 205 V N 2.391 122.356 119.914 0.084 0.000 2.655 205 V HA 0.503 4.623 4.120 0.001 0.000 0.300 205 V C 0.053 176.168 176.094 0.035 0.000 1.044 205 V CA -0.438 61.891 62.300 0.048 0.000 1.095 205 V CB 0.409 32.259 31.823 0.045 0.000 0.952 205 V HN 0.307 nan 8.190 nan 0.000 0.485 206 T N 2.850 117.414 114.554 0.017 0.000 2.841 206 T HA 0.675 5.025 4.350 0.001 0.000 0.285 206 T C -2.726 171.978 174.700 0.008 0.000 0.991 206 T CA -1.811 60.294 62.100 0.009 0.000 0.966 206 T CB 1.375 70.239 68.868 -0.008 0.000 0.962 206 T HN 0.683 nan 8.240 nan 0.000 0.438 207 P HA 0.200 nan 4.420 nan 0.000 0.271 207 P C 0.827 178.140 177.300 0.023 0.000 1.216 207 P CA -0.749 62.360 63.100 0.015 0.000 0.771 207 P CB 0.652 32.359 31.700 0.011 0.000 0.864 208 L N 4.021 125.263 121.223 0.033 0.000 2.131 208 L HA -0.150 4.191 4.340 0.001 0.000 0.210 208 L C 1.972 178.860 176.870 0.030 0.000 1.092 208 L CA 1.986 56.852 54.840 0.043 0.000 0.759 208 L CB -1.269 40.826 42.059 0.060 0.000 0.903 208 L HN 0.446 nan 8.230 nan 0.000 0.435 209 A N -1.390 121.444 122.820 0.024 0.000 2.121 209 A HA -0.089 4.231 4.320 0.001 0.000 0.218 209 A C 1.170 178.759 177.584 0.008 0.000 1.154 209 A CA 0.446 52.491 52.037 0.013 0.000 0.679 209 A CB -0.580 18.427 19.000 0.011 0.000 0.795 209 A HN 0.547 nan 8.150 nan 0.000 0.458 210 E N 1.525 121.732 120.200 0.011 0.000 1.893 210 E HA 0.162 4.512 4.350 0.001 0.000 0.269 210 E C -0.811 175.796 176.600 0.012 0.000 1.129 210 E CA -0.144 56.261 56.400 0.009 0.000 0.904 210 E CB 0.286 29.991 29.700 0.009 0.000 1.077 210 E HN 0.301 nan 8.360 nan 0.000 0.407 211 Q N 2.886 122.692 119.800 0.009 0.000 2.523 211 Q HA 0.184 4.524 4.340 0.001 0.000 0.251 211 Q C -2.037 173.967 176.000 0.007 0.000 1.033 211 Q CA -1.879 53.931 55.803 0.011 0.000 0.746 211 Q CB 1.393 30.137 28.738 0.010 0.000 1.189 211 Q HN 0.342 nan 8.270 nan 0.000 0.508 212 P HA -0.156 nan 4.420 nan 0.000 0.216 212 P C 1.284 178.583 177.300 -0.001 0.000 1.153 212 P CA 0.660 63.762 63.100 0.002 0.000 0.848 212 P CB 0.462 32.163 31.700 0.003 0.000 0.787 213 L N -1.247 119.976 121.223 0.000 0.000 2.062 213 L HA -0.005 4.335 4.340 0.001 0.000 0.202 213 L C 2.216 179.083 176.870 -0.005 0.000 1.079 213 L CA 1.555 56.391 54.840 -0.006 0.000 0.755 213 L CB -1.209 40.849 42.059 -0.002 0.000 0.913 213 L HN -0.197 nan 8.230 nan 0.000 0.445 214 L N -0.317 120.909 121.223 0.006 0.000 2.083 214 L HA -0.106 4.235 4.340 0.001 0.000 0.209 214 L C 2.439 179.323 176.870 0.025 0.000 1.083 214 L CA 1.191 56.041 54.840 0.016 0.000 0.752 214 L CB -1.333 40.742 42.059 0.026 0.000 0.899 214 L HN 0.511 nan 8.230 nan 0.000 0.433 215 G N -0.488 108.321 108.800 0.016 0.000 2.484 215 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 215 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 215 G C 1.769 176.676 174.900 0.012 0.000 1.130 215 G CA 0.388 45.497 45.100 0.016 0.000 0.784 215 G HN 0.291 nan 8.290 nan 0.000 0.543 216 R N -0.336 120.166 120.500 0.003 0.000 2.075 216 R HA 0.242 4.582 4.340 0.001 0.000 0.220 216 R C 2.306 178.599 176.300 -0.011 0.000 1.118 216 R CA 0.313 56.409 56.100 -0.007 0.000 0.986 216 R CB -0.290 30.000 30.300 -0.016 0.000 0.884 216 R HN 0.324 nan 8.270 nan 0.000 0.439 217 L N 0.365 121.579 121.223 -0.016 0.000 2.093 217 L HA 0.071 4.412 4.340 0.001 0.000 0.208 217 L C 1.276 178.145 176.870 -0.001 0.000 1.085 217 L CA 0.877 55.701 54.840 -0.027 0.000 0.755 217 L CB 0.134 42.165 42.059 -0.047 0.000 0.904 217 L HN 0.276 nan 8.230 nan 0.000 0.435 218 I N -0.636 119.954 120.570 0.034 0.000 2.649 218 I HA 0.201 4.371 4.170 0.001 0.000 0.275 218 I C -2.100 174.092 176.117 0.125 0.000 1.153 218 I CA -1.741 59.609 61.300 0.083 0.000 1.069 218 I CB 1.548 39.612 38.000 0.106 0.000 1.227 218 I HN -0.175 nan 8.210 nan 0.000 0.505 219 P HA -0.195 nan 4.420 nan 0.000 0.217 219 P C 1.199 178.565 177.300 0.110 0.000 1.148 219 P CA 1.423 64.569 63.100 0.076 0.000 0.834 219 P CB -0.029 31.701 31.700 0.050 0.000 0.783 220 W N 0.275 121.536 121.300 -0.064 0.000 2.331 220 W HA -0.241 4.420 4.660 0.001 0.000 0.291 220 W C 1.606 178.083 176.519 -0.070 0.000 1.214 220 W CA 1.180 58.476 57.345 -0.083 0.000 1.228 220 W CB -0.936 28.451 29.460 -0.121 0.000 1.135 220 W HN -0.274 nan 8.180 nan 0.000 0.537 221 V N 1.248 121.168 119.914 0.010 0.000 2.324 221 V HA -0.358 3.762 4.120 0.001 0.000 0.250 221 V C 2.118 178.055 176.094 -0.262 0.000 1.060 221 V CA 2.000 64.162 62.300 -0.230 0.000 1.042 221 V CB -0.797 31.029 31.823 0.005 0.000 0.650 221 V HN 0.228 nan 8.190 nan 0.000 0.450 222 I N -0.516 119.976 120.570 -0.131 0.000 2.512 222 I HA 0.004 4.175 4.170 0.001 0.000 0.247 222 I C 2.235 178.297 176.117 -0.092 0.000 1.094 222 I CA 0.897 62.144 61.300 -0.089 0.000 1.427 222 I CB -1.456 36.522 38.000 -0.037 0.000 1.149 222 I HN 0.260 nan 8.210 nan 0.000 0.438 223 D N 0.779 121.136 120.400 -0.072 0.000 2.133 223 D HA -0.246 4.394 4.640 0.001 0.000 0.195 223 D C 2.093 178.376 176.300 -0.028 0.000 0.997 223 D CA 1.637 55.615 54.000 -0.037 0.000 0.840 223 D CB 0.029 40.827 40.800 -0.004 0.000 0.947 223 D HN 0.359 nan 8.370 nan 0.000 0.452 224 Q N -0.054 119.621 119.800 -0.209 0.000 2.389 224 Q HA 0.049 4.390 4.340 0.001 0.000 0.198 224 Q C 1.992 177.831 176.000 -0.268 0.000 0.967 224 Q CA 0.636 56.247 55.803 -0.320 0.000 0.863 224 Q CB -0.226 28.155 28.738 -0.595 0.000 0.987 224 Q HN 0.075 nan 8.270 nan 0.000 0.557 225 V N 0.361 119.982 119.914 -0.487 0.000 2.221 225 V HA -0.167 3.953 4.120 0.001 0.000 0.242 225 V C 2.324 178.547 176.094 0.215 0.000 1.041 225 V CA 1.775 64.030 62.300 -0.074 0.000 0.995 225 V CB -0.948 30.579 31.823 -0.494 0.000 0.635 225 V HN 0.261 nan 8.190 nan 0.000 0.448 226 V N 0.484 120.410 119.914 0.020 0.000 2.343 226 V HA -0.245 3.876 4.120 0.001 0.000 0.247 226 V C 2.158 178.331 176.094 0.132 0.000 1.051 226 V CA 2.184 64.539 62.300 0.092 0.000 1.036 226 V CB -0.782 31.046 31.823 0.007 0.000 0.654 226 V HN 0.542 nan 8.190 nan 0.000 0.451 227 D N -1.440 118.990 120.400 0.050 0.000 2.348 227 D HA -0.047 4.593 4.640 0.001 0.000 0.216 227 D C 0.924 177.119 176.300 -0.175 0.000 0.970 227 D CA 0.820 54.781 54.000 -0.066 0.000 0.889 227 D CB -0.181 40.527 40.800 -0.153 0.000 0.912 227 D HN 0.520 nan 8.370 nan 0.000 0.524 228 H N -0.019 119.150 119.070 0.164 0.000 2.418 228 H HA 0.144 4.701 4.556 0.001 0.000 0.238 228 H C -1.598 173.911 175.328 0.303 0.000 1.403 228 H CA -1.255 54.925 56.048 0.220 0.000 1.419 228 H CB 1.545 31.388 29.762 0.135 0.000 1.463 228 H HN 0.077 nan 8.280 nan 0.000 0.515 229 P HA -0.072 nan 4.420 nan 0.000 0.225 229 P C 0.047 177.346 177.300 -0.003 0.000 1.156 229 P CA 0.544 63.734 63.100 0.150 0.000 0.787 229 P CB 0.657 32.561 31.700 0.339 0.000 0.802 230 D N 0.595 121.063 120.400 0.113 0.000 2.283 230 D HA 0.066 4.707 4.640 0.001 0.000 0.248 230 D C 0.359 176.517 176.300 -0.235 0.000 1.072 230 D CA -0.288 53.704 54.000 -0.013 0.000 0.929 230 D CB 0.046 40.925 40.800 0.131 0.000 1.182 230 D HN -0.159 nan 8.370 nan 0.000 0.433 231 N N 1.686 119.981 118.700 -0.676 0.000 3.178 231 N HA -0.001 4.740 4.740 0.001 0.000 0.300 231 N C -0.775 174.591 175.510 -0.239 0.000 1.242 231 N CA -0.359 52.153 53.050 -0.896 0.000 1.192 231 N CB -0.285 37.440 38.487 -1.269 0.000 1.463 231 N HN 0.287 nan 8.380 nan 0.000 0.539 232 D N -0.711 119.707 120.400 0.030 0.000 2.469 232 D HA 0.006 4.646 4.640 0.001 0.000 0.278 232 D C 1.209 177.536 176.300 0.044 0.000 1.231 232 D CA -0.267 53.766 54.000 0.056 0.000 1.075 232 D CB 0.101 40.974 40.800 0.121 0.000 1.121 232 D HN 0.436 nan 8.370 nan 0.000 0.571 233 E N -0.635 119.571 120.200 0.011 0.000 2.204 233 E HA -0.239 4.111 4.350 0.001 0.000 0.195 233 E C 1.707 178.266 176.600 -0.068 0.000 0.990 233 E CA 1.540 57.931 56.400 -0.015 0.000 0.821 233 E CB -0.377 29.316 29.700 -0.013 0.000 0.750 233 E HN 0.379 nan 8.360 nan 0.000 0.477 234 S N -0.095 115.489 115.700 -0.193 0.000 2.402 234 S HA -0.144 4.326 4.470 0.001 0.000 0.229 234 S C 1.639 176.035 174.600 -0.340 0.000 1.021 234 S CA 0.722 58.686 58.200 -0.392 0.000 0.974 234 S CB -0.791 61.888 63.200 -0.869 0.000 0.800 234 S HN 0.576 nan 8.310 nan 0.000 0.484 235 W N 1.589 122.835 121.300 -0.090 0.000 2.494 235 W HA 0.207 4.867 4.660 0.000 0.000 0.286 235 W C 2.848 179.360 176.519 -0.011 0.000 1.218 235 W CA 0.052 57.389 57.345 -0.013 0.000 1.313 235 W CB -0.104 29.343 29.460 -0.022 0.000 1.105 235 W HN 0.216 nan 8.180 nan 0.000 0.561 236 Q N -0.044 119.858 119.800 0.170 0.000 2.226 236 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 236 Q C 2.127 178.174 176.000 0.078 0.000 0.975 236 Q CA 1.478 57.340 55.803 0.097 0.000 0.866 236 Q CB -0.988 27.778 28.738 0.046 0.000 0.915 236 Q HN 0.234 nan 8.270 nan 0.000 0.440 237 S N 0.903 116.634 115.700 0.052 0.000 2.383 237 S HA -0.083 4.387 4.470 0.001 0.000 0.227 237 S C 1.820 176.458 174.600 0.064 0.000 1.026 237 S CA 0.988 59.209 58.200 0.034 0.000 0.981 237 S CB -0.073 63.122 63.200 -0.007 0.000 0.818 237 S HN 0.527 nan 8.310 nan 0.000 0.472 238 I N -0.998 119.633 120.570 0.100 0.000 3.956 238 I HA 0.368 4.538 4.170 0.001 0.000 0.333 238 I C 0.693 176.893 176.117 0.139 0.000 1.302 238 I CA -0.344 61.034 61.300 0.130 0.000 1.122 238 I CB 0.073 38.177 38.000 0.173 0.000 1.013 238 I HN 0.088 nan 8.210 nan 0.000 0.405 239 S N 1.535 117.322 115.700 0.145 0.000 2.548 239 S HA 0.352 4.822 4.470 0.001 0.000 0.277 239 S C 0.815 175.479 174.600 0.107 0.000 1.315 239 S CA -0.553 57.727 58.200 0.133 0.000 1.050 239 S CB 0.856 64.136 63.200 0.134 0.000 0.918 239 S HN 0.324 nan 8.310 nan 0.000 0.497 240 L N 5.149 126.434 121.223 0.103 0.000 2.609 240 L HA 0.235 4.575 4.340 0.001 0.000 0.230 240 L C 1.644 178.531 176.870 0.029 0.000 1.087 240 L CA 0.465 55.351 54.840 0.077 0.000 0.874 240 L CB -1.913 40.209 42.059 0.105 0.000 1.114 240 L HN 0.705 nan 8.230 nan 0.000 0.488 241 F N 2.358 122.250 119.950 -0.097 0.000 2.087 241 F HA -0.260 4.267 4.527 0.001 0.000 0.299 241 F C 2.441 178.187 175.800 -0.091 0.000 1.100 241 F CA 1.852 59.770 58.000 -0.136 0.000 1.226 241 F CB 0.199 39.127 39.000 -0.121 0.000 0.983 241 F HN 0.121 nan 8.300 nan 0.000 0.479 242 E N -0.121 120.074 120.200 -0.009 0.000 2.338 242 E HA -0.145 4.205 4.350 0.001 0.000 0.197 242 E C 2.193 178.724 176.600 -0.115 0.000 1.007 242 E CA 0.803 57.164 56.400 -0.066 0.000 0.849 242 E CB -0.307 29.407 29.700 0.024 0.000 0.774 242 E HN 0.512 nan 8.360 nan 0.000 0.506 243 R N -0.262 120.178 120.500 -0.100 0.000 2.280 243 R HA 0.085 4.425 4.340 0.001 0.000 0.195 243 R C 1.875 178.113 176.300 -0.104 0.000 0.935 243 R CA -0.131 55.927 56.100 -0.070 0.000 1.033 243 R CB 0.103 30.395 30.300 -0.013 0.000 0.964 243 R HN 0.015 nan 8.270 nan 0.000 0.489 244 L N -0.259 120.832 121.223 -0.220 0.000 2.093 244 L HA -0.029 4.311 4.340 0.001 0.000 0.208 244 L C 2.286 179.036 176.870 -0.200 0.000 1.085 244 L CA 1.748 56.442 54.840 -0.244 0.000 0.755 244 L CB -0.807 40.944 42.059 -0.514 0.000 0.904 244 L HN 0.221 nan 8.230 nan 0.000 0.435 245 G N -1.471 107.187 108.800 -0.237 0.000 2.471 245 G HA2 -0.126 3.834 3.960 0.001 0.000 0.219 245 G HA3 -0.126 3.834 3.960 0.001 0.000 0.219 245 G C 1.497 176.343 174.900 -0.091 0.000 1.125 245 G CA 0.610 45.612 45.100 -0.163 0.000 0.775 245 G HN 0.510 nan 8.290 nan 0.000 0.548 246 G N -0.226 108.530 108.800 -0.073 0.000 3.042 246 G HA2 0.353 4.314 3.960 0.001 0.000 0.212 246 G HA3 0.353 4.314 3.960 0.001 0.000 0.212 246 G C 0.612 175.501 174.900 -0.019 0.000 1.166 246 G CA -0.396 44.681 45.100 -0.039 0.000 0.767 246 G HN 0.345 nan 8.290 nan 0.000 0.546 247 L N 0.030 121.245 121.223 -0.013 0.000 2.439 247 L HA 0.592 4.933 4.340 0.001 0.000 0.259 247 L C 0.729 177.605 176.870 0.010 0.000 1.129 247 L CA -0.618 54.231 54.840 0.015 0.000 0.803 247 L CB 1.748 43.842 42.059 0.058 0.000 1.161 247 L HN 0.020 nan 8.230 nan 0.000 0.462 248 A N 0.497 123.325 122.820 0.013 0.000 2.806 248 A HA 0.359 4.680 4.320 0.001 0.000 0.266 248 A C -0.118 177.462 177.584 -0.007 0.000 0.926 248 A CA -0.268 51.769 52.037 0.001 0.000 1.068 248 A CB 0.123 19.122 19.000 -0.003 0.000 1.189 248 A HN 0.604 nan 8.150 nan 0.000 0.481 249 T N 2.789 117.351 114.554 0.013 0.000 2.749 249 T HA 0.473 4.824 4.350 0.001 0.000 0.287 249 T C -2.804 171.893 174.700 -0.005 0.000 0.970 249 T CA -1.015 61.083 62.100 -0.003 0.000 0.980 249 T CB 1.279 70.164 68.868 0.028 0.000 0.924 249 T HN 0.139 nan 8.240 nan 0.000 0.456 250 P HA 0.396 nan 4.420 nan 0.000 0.268 250 P C -1.261 176.167 177.300 0.213 0.000 1.204 250 P CA -0.212 62.846 63.100 -0.070 0.000 0.768 250 P CB 0.492 31.776 31.700 -0.694 0.000 0.842 251 A N 3.700 126.700 122.820 0.300 0.000 2.375 251 A HA 0.491 4.811 4.320 0.001 0.000 0.295 251 A C -1.145 176.385 177.584 -0.091 0.000 1.066 251 A CA -0.661 51.459 52.037 0.138 0.000 0.722 251 A CB 0.737 19.809 19.000 0.120 0.000 1.206 251 A HN 0.594 nan 8.150 nan 0.000 0.435 252 L N 4.316 125.214 121.223 -0.542 0.000 2.270 252 L HA 0.545 4.886 4.340 0.001 0.000 0.286 252 L C -1.202 175.479 176.870 -0.315 0.000 1.059 252 L CA -0.520 53.864 54.840 -0.760 0.000 0.839 252 L CB 0.026 41.204 42.059 -1.468 0.000 1.221 252 L HN 0.650 nan 8.230 nan 0.000 0.431 253 I N 4.000 124.512 120.570 -0.096 0.000 2.331 253 I HA 0.292 4.462 4.170 0.001 0.000 0.292 253 I C 0.075 176.179 176.117 -0.021 0.000 0.998 253 I CA -0.083 61.235 61.300 0.030 0.000 1.267 253 I CB 1.715 39.840 38.000 0.208 0.000 1.386 253 I HN 0.465 nan 8.210 nan 0.000 0.476 254 T N 5.305 119.879 114.554 0.032 0.000 2.855 254 T HA 0.829 5.179 4.350 0.001 0.000 0.281 254 T C -0.281 174.449 174.700 0.050 0.000 1.007 254 T CA -0.589 61.554 62.100 0.072 0.000 1.009 254 T CB 1.916 70.905 68.868 0.201 0.000 0.983 254 T HN 0.710 nan 8.240 nan 0.000 0.455 255 A N 1.347 124.163 122.820 -0.006 0.000 2.564 255 A HA 0.996 5.316 4.320 0.001 0.000 0.288 255 A C -0.503 177.005 177.584 -0.127 0.000 1.164 255 A CA -0.779 51.207 52.037 -0.086 0.000 0.712 255 A CB 1.635 20.477 19.000 -0.264 0.000 1.303 255 A HN 1.098 nan 8.150 nan 0.000 0.418 256 G N -1.790 106.913 108.800 -0.161 0.000 2.662 256 G HA2 0.471 4.431 3.960 0.001 0.000 0.302 256 G HA3 0.471 4.431 3.960 0.001 0.000 0.302 256 G C -0.188 174.534 174.900 -0.296 0.000 1.389 256 G CA -0.514 44.449 45.100 -0.230 0.000 0.998 256 G HN 0.780 nan 8.290 nan 0.000 0.502 257 W N 0.510 121.645 121.300 -0.275 0.000 2.364 257 W HA -0.054 4.607 4.660 0.000 0.000 0.281 257 W C 0.881 177.094 176.519 -0.509 0.000 1.219 257 W CA 0.258 57.347 57.345 -0.427 0.000 1.220 257 W CB 0.048 29.136 29.460 -0.620 0.000 1.127 257 W HN 0.591 nan 8.180 nan 0.000 0.556 258 Y N -0.612 119.793 120.300 0.175 0.000 2.636 258 Y HA 0.186 4.737 4.550 0.001 0.000 0.260 258 Y C 0.004 175.988 175.900 0.139 0.000 1.177 258 Y CA -0.811 57.381 58.100 0.153 0.000 1.209 258 Y CB -0.343 38.207 38.460 0.149 0.000 1.166 258 Y HN -0.277 nan 8.280 nan 0.000 0.531 259 D N -0.629 119.909 120.400 0.230 0.000 2.256 259 D HA 0.261 4.901 4.640 0.001 0.000 0.250 259 D C 1.604 178.020 176.300 0.193 0.000 1.093 259 D CA 0.233 54.386 54.000 0.256 0.000 0.882 259 D CB 1.481 42.446 40.800 0.276 0.000 1.185 259 D HN 0.321 nan 8.370 nan 0.000 0.437 260 G N 2.135 111.023 108.800 0.147 0.000 2.479 260 G HA2 -0.232 3.729 3.960 0.001 0.000 0.220 260 G HA3 -0.232 3.729 3.960 0.001 0.000 0.220 260 G C 0.892 175.713 174.900 -0.132 0.000 1.115 260 G CA 0.464 45.530 45.100 -0.056 0.000 0.757 260 G HN 0.534 nan 8.290 nan 0.000 0.560 261 F N -0.528 119.383 119.950 -0.065 0.000 2.727 261 F HA 0.270 4.797 4.527 0.001 0.000 0.302 261 F C 2.186 177.971 175.800 -0.025 0.000 1.097 261 F CA -0.588 57.377 58.000 -0.059 0.000 1.330 261 F CB 0.042 39.026 39.000 -0.027 0.000 1.084 261 F HN 0.001 nan 8.300 nan 0.000 0.578 262 V N 0.709 120.716 119.914 0.156 0.000 2.278 262 V HA -0.298 3.823 4.120 0.001 0.000 0.251 262 V C 2.450 178.579 176.094 0.058 0.000 1.062 262 V CA 2.633 64.973 62.300 0.067 0.000 1.038 262 V CB -0.903 30.947 31.823 0.045 0.000 0.646 262 V HN 0.434 nan 8.190 nan 0.000 0.447 263 G N -1.160 107.680 108.800 0.065 0.000 2.440 263 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 263 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 263 G C 1.462 176.384 174.900 0.036 0.000 1.154 263 G CA 0.853 45.991 45.100 0.064 0.000 0.767 263 G HN 0.550 nan 8.290 nan 0.000 0.552 264 E N 0.835 121.041 120.200 0.011 0.000 2.158 264 E HA 0.005 4.356 4.350 0.001 0.000 0.191 264 E C 2.899 179.534 176.600 0.058 0.000 0.982 264 E CA 0.616 57.007 56.400 -0.016 0.000 0.823 264 E CB -0.256 29.419 29.700 -0.041 0.000 0.766 264 E HN 0.332 nan 8.360 nan 0.000 0.468 265 S N 1.139 116.901 115.700 0.103 0.000 2.368 265 S HA -0.063 4.407 4.470 0.001 0.000 0.225 265 S C 2.130 176.792 174.600 0.104 0.000 1.030 265 S CA 0.744 59.018 58.200 0.124 0.000 0.999 265 S CB -0.177 63.072 63.200 0.082 0.000 0.844 265 S HN 0.179 nan 8.310 nan 0.000 0.459 266 L N 0.759 122.006 121.223 0.041 0.000 2.093 266 L HA -0.024 4.316 4.340 0.001 0.000 0.208 266 L C 2.643 179.677 176.870 0.273 0.000 1.085 266 L CA 1.063 55.928 54.840 0.042 0.000 0.755 266 L CB -0.363 41.675 42.059 -0.034 0.000 0.904 266 L HN 0.186 nan 8.230 nan 0.000 0.435 267 R N -0.382 120.254 120.500 0.226 0.000 2.115 267 R HA -0.128 4.212 4.340 0.001 0.000 0.230 267 R C 2.420 178.946 176.300 0.377 0.000 1.111 267 R CA 1.788 58.051 56.100 0.273 0.000 0.976 267 R CB -0.448 29.881 30.300 0.048 0.000 0.870 267 R HN 0.519 nan 8.270 nan 0.000 0.445 268 T N -1.606 113.101 114.554 0.255 0.000 2.904 268 T HA -0.136 4.215 4.350 0.001 0.000 0.267 268 T C 1.631 176.422 174.700 0.151 0.000 1.059 268 T CA 0.733 62.873 62.100 0.067 0.000 1.137 268 T CB -0.319 68.422 68.868 -0.210 0.000 0.879 268 T HN 0.183 nan 8.240 nan 0.000 0.467 269 F N 2.338 122.378 119.950 0.150 0.000 2.113 269 F HA 0.035 4.562 4.527 0.000 0.000 0.297 269 F C 2.221 178.127 175.800 0.178 0.000 1.103 269 F CA 0.855 58.956 58.000 0.168 0.000 1.248 269 F CB -0.514 38.568 39.000 0.138 0.000 0.999 269 F HN 0.002 nan 8.300 nan 0.000 0.475 270 V N 0.570 120.624 119.914 0.232 0.000 2.490 270 V HA -0.282 3.839 4.120 0.001 0.000 0.250 270 V C 2.682 178.771 176.094 -0.008 0.000 1.061 270 V CA 1.693 64.074 62.300 0.135 0.000 1.064 270 V CB -1.586 30.416 31.823 0.299 0.000 0.670 270 V HN 0.493 nan 8.190 nan 0.000 0.461 271 A N 0.202 123.010 122.820 -0.021 0.000 2.014 271 A HA -0.041 4.279 4.320 0.001 0.000 0.218 271 A C 2.175 179.654 177.584 -0.174 0.000 1.163 271 A CA 1.814 53.748 52.037 -0.172 0.000 0.652 271 A CB -0.274 18.458 19.000 -0.447 0.000 0.808 271 A HN 0.690 nan 8.150 nan 0.000 0.449 272 V N -2.202 117.629 119.914 -0.139 0.000 3.661 272 V HA 0.071 4.191 4.120 0.001 0.000 0.271 272 V C 1.796 177.808 176.094 -0.136 0.000 1.315 272 V CA 0.946 63.195 62.300 -0.085 0.000 1.072 272 V CB -0.462 31.402 31.823 0.068 0.000 0.830 272 V HN 0.628 nan 8.190 nan 0.000 0.443 273 K N 0.726 120.953 120.400 -0.289 0.000 2.211 273 K HA -0.176 4.144 4.320 0.001 0.000 0.204 273 K C 1.371 177.885 176.600 -0.144 0.000 1.047 273 K CA 2.103 58.189 56.287 -0.335 0.000 0.935 273 K CB -0.462 31.655 32.500 -0.639 0.000 0.728 273 K HN 0.427 nan 8.250 nan 0.000 0.452 274 D N 0.872 121.210 120.400 -0.102 0.000 2.194 274 D HA -0.054 4.586 4.640 0.001 0.000 0.204 274 D C 1.199 177.480 176.300 -0.032 0.000 0.964 274 D CA 0.775 54.745 54.000 -0.050 0.000 0.846 274 D CB -0.068 40.707 40.800 -0.041 0.000 0.962 274 D HN 0.295 nan 8.370 nan 0.000 0.490 275 N N -0.024 118.654 118.700 -0.037 0.000 2.325 275 N HA 0.208 4.948 4.740 0.001 0.000 0.182 275 N C 0.222 175.725 175.510 -0.012 0.000 1.088 275 N CA 0.140 53.177 53.050 -0.021 0.000 0.879 275 N CB 1.388 39.861 38.487 -0.023 0.000 0.983 275 N HN 0.058 nan 8.380 nan 0.000 0.471 276 A N -0.250 122.563 122.820 -0.012 0.000 2.581 276 A HA 0.336 4.656 4.320 0.001 0.000 0.290 276 A C -1.672 175.924 177.584 0.020 0.000 1.119 276 A CA -0.699 51.335 52.037 -0.005 0.000 0.670 276 A CB 0.638 19.627 19.000 -0.019 0.000 1.280 276 A HN -0.007 nan 8.150 nan 0.000 0.425 277 D N 0.873 121.296 120.400 0.038 0.000 2.383 277 D HA 0.496 5.136 4.640 0.001 0.000 0.245 277 D C 0.183 176.614 176.300 0.218 0.000 1.263 277 D CA 0.865 54.951 54.000 0.142 0.000 0.936 277 D CB 0.267 41.210 40.800 0.239 0.000 1.053 277 D HN 0.811 nan 8.370 nan 0.000 0.507 278 A N 4.645 127.572 122.820 0.178 0.000 2.312 278 A HA 0.778 5.099 4.320 0.001 0.000 0.326 278 A C -0.099 177.738 177.584 0.421 0.000 1.172 278 A CA -0.829 51.346 52.037 0.231 0.000 0.821 278 A CB 0.971 19.963 19.000 -0.014 0.000 1.166 278 A HN 0.482 nan 8.150 nan 0.000 0.493 279 R N 0.627 121.328 120.500 0.335 0.000 2.750 279 R HA 0.686 5.026 4.340 0.001 0.000 0.281 279 R C -1.822 174.509 176.300 0.051 0.000 0.972 279 R CA -0.809 55.400 56.100 0.182 0.000 0.912 279 R CB 1.677 31.925 30.300 -0.087 0.000 1.187 279 R HN 0.613 nan 8.270 nan 0.000 0.464 280 L N 1.150 122.263 121.223 -0.183 0.000 2.410 280 L HA 0.553 4.893 4.340 0.001 0.000 0.270 280 L C -1.450 175.275 176.870 -0.242 0.000 0.983 280 L CA -0.649 53.963 54.840 -0.379 0.000 0.822 280 L CB 2.338 43.818 42.059 -0.966 0.000 1.285 280 L HN 0.331 nan 8.230 nan 0.000 0.409 281 V N 5.390 125.198 119.914 -0.176 0.000 2.525 281 V HA 0.631 4.751 4.120 0.001 0.000 0.299 281 V C -0.953 175.085 176.094 -0.094 0.000 1.034 281 V CA -0.615 61.654 62.300 -0.052 0.000 0.863 281 V CB 2.009 33.849 31.823 0.028 0.000 0.999 281 V HN 0.489 nan 8.190 nan 0.000 0.423 282 V N 3.834 123.637 119.914 -0.184 0.000 2.483 282 V HA 0.840 4.961 4.120 0.001 0.000 0.297 282 V C 0.589 176.219 176.094 -0.773 0.000 1.027 282 V CA -0.222 61.703 62.300 -0.625 0.000 0.855 282 V CB 1.567 32.621 31.823 -1.283 0.000 0.995 282 V HN 0.907 nan 8.190 nan 0.000 0.424 283 G N 3.963 111.991 108.800 -1.287 0.000 2.601 283 G HA2 0.683 4.643 3.960 0.001 0.000 0.317 283 G HA3 0.683 4.643 3.960 0.001 0.000 0.317 283 G C -2.291 171.594 174.900 -1.693 0.000 1.246 283 G CA -1.504 42.394 45.100 -2.003 0.000 1.012 283 G HN 0.517 nan 8.290 nan 0.000 0.494 284 P HA 0.140 nan 4.420 nan 0.000 0.249 284 P C -0.538 176.555 177.300 -0.346 0.000 1.544 284 P CA -0.258 62.368 63.100 -0.790 0.000 0.932 284 P CB 0.090 30.954 31.700 -1.392 0.000 1.524 285 W N 1.234 122.514 121.300 -0.035 0.000 2.283 285 W HA 0.367 5.027 4.660 0.000 0.000 0.341 285 W C 0.969 177.573 176.519 0.143 0.000 1.206 285 W CA -0.436 56.941 57.345 0.053 0.000 1.294 285 W CB 0.199 29.658 29.460 -0.003 0.000 1.154 285 W HN -0.017 nan 8.180 nan 0.000 0.613 286 S N -0.946 114.976 115.700 0.371 0.000 2.718 286 S HA 0.189 4.660 4.470 0.001 0.000 0.300 286 S C 0.625 175.358 174.600 0.221 0.000 1.117 286 S CA -0.298 58.074 58.200 0.287 0.000 1.002 286 S CB 1.730 65.051 63.200 0.202 0.000 1.092 286 S HN 0.498 nan 8.310 nan 0.000 0.542 287 H N 1.275 120.395 119.070 0.084 0.000 2.352 287 H HA -0.060 4.496 4.556 0.001 0.000 0.299 287 H C 2.096 177.391 175.328 -0.056 0.000 1.097 287 H CA 2.633 58.691 56.048 0.017 0.000 1.311 287 H CB -0.090 29.681 29.762 0.015 0.000 1.377 287 H HN 0.715 nan 8.280 nan 0.000 0.504 288 S N -1.579 114.127 115.700 0.009 0.000 2.540 288 S HA 0.056 4.526 4.470 0.001 0.000 0.218 288 S C 0.476 175.044 174.600 -0.054 0.000 0.977 288 S CA -0.270 57.889 58.200 -0.068 0.000 0.918 288 S CB 0.283 63.433 63.200 -0.082 0.000 0.806 288 S HN 0.277 nan 8.310 nan 0.000 0.496 289 N N 0.858 119.555 118.700 -0.006 0.000 2.573 289 N HA 0.414 5.154 4.740 0.001 0.000 0.262 289 N C -0.845 174.705 175.510 0.066 0.000 1.029 289 N CA -0.500 52.562 53.050 0.020 0.000 0.882 289 N CB 1.202 39.717 38.487 0.048 0.000 1.204 289 N HN 0.117 nan 8.380 nan 0.000 0.519 290 L N 2.321 123.517 121.223 -0.045 0.000 2.818 290 L HA 0.226 4.567 4.340 0.001 0.000 0.243 290 L C 2.033 178.892 176.870 -0.019 0.000 1.185 290 L CA 0.247 54.984 54.840 -0.173 0.000 0.988 290 L CB 0.180 41.924 42.059 -0.525 0.000 1.292 290 L HN 0.655 nan 8.230 nan 0.000 0.519 291 T N -4.463 110.141 114.554 0.082 0.000 3.043 291 T HA 0.151 4.501 4.350 0.001 0.000 0.263 291 T C 1.717 176.529 174.700 0.187 0.000 1.094 291 T CA 0.793 62.955 62.100 0.102 0.000 1.127 291 T CB 0.033 68.935 68.868 0.056 0.000 0.905 291 T HN 0.368 nan 8.240 nan 0.000 0.490 292 G N 1.484 110.454 108.800 0.283 0.000 2.176 292 G HA2 -0.241 3.719 3.960 0.001 0.000 0.253 292 G HA3 -0.241 3.719 3.960 0.001 0.000 0.253 292 G C 0.152 175.212 174.900 0.267 0.000 0.979 292 G CA -0.006 45.294 45.100 0.333 0.000 0.641 292 G HN 0.707 nan 8.290 nan 0.000 0.530 293 R N 0.723 121.306 120.500 0.139 0.000 2.338 293 R HA 0.580 4.920 4.340 0.001 0.000 0.317 293 R C -0.430 175.867 176.300 -0.006 0.000 0.968 293 R CA -0.612 55.507 56.100 0.032 0.000 0.849 293 R CB 0.944 31.254 30.300 0.017 0.000 1.128 293 R HN 0.255 nan 8.270 nan 0.000 0.448 294 N N 0.453 119.100 118.700 -0.088 0.000 2.405 294 N HA 0.212 4.952 4.740 0.001 0.000 0.285 294 N C 0.417 175.847 175.510 -0.134 0.000 1.262 294 N CA -0.360 52.624 53.050 -0.110 0.000 0.773 294 N CB 1.910 40.305 38.487 -0.154 0.000 1.490 294 N HN 0.486 nan 8.380 nan 0.000 0.486 295 A N 0.385 123.132 122.820 -0.122 0.000 1.903 295 A HA -0.193 4.127 4.320 0.001 0.000 0.219 295 A C 0.768 178.267 177.584 -0.142 0.000 1.191 295 A CA 1.857 53.824 52.037 -0.116 0.000 0.638 295 A CB -0.188 18.749 19.000 -0.105 0.000 0.823 295 A HN 0.697 nan 8.150 nan 0.000 0.451 296 D N -2.557 117.732 120.400 -0.187 0.000 2.563 296 D HA 0.271 4.911 4.640 0.001 0.000 0.237 296 D C -0.122 175.987 176.300 -0.318 0.000 1.282 296 D CA 0.011 53.876 54.000 -0.226 0.000 0.816 296 D CB 0.575 41.244 40.800 -0.219 0.000 1.066 296 D HN 0.263 nan 8.370 nan 0.000 0.501 297 R N 1.072 121.370 120.500 -0.337 0.000 2.523 297 R HA 0.240 4.580 4.340 0.001 0.000 0.278 297 R C -1.670 174.315 176.300 -0.525 0.000 1.150 297 R CA -0.318 55.495 56.100 -0.479 0.000 0.987 297 R CB 1.015 30.968 30.300 -0.578 0.000 1.232 297 R HN -0.281 nan 8.270 nan 0.000 0.424 298 K N 4.369 124.509 120.400 -0.432 0.000 2.274 298 K HA 0.359 4.679 4.320 0.001 0.000 0.262 298 K C -0.336 176.103 176.600 -0.269 0.000 0.961 298 K CA -0.499 55.616 56.287 -0.287 0.000 0.833 298 K CB 1.169 33.602 32.500 -0.111 0.000 1.102 298 K HN 0.393 nan 8.250 nan 0.000 0.436 299 F N 1.190 121.178 119.950 0.063 0.000 2.765 299 F HA 0.207 4.735 4.527 0.001 0.000 0.302 299 F C 1.169 177.072 175.800 0.172 0.000 1.111 299 F CA 0.053 58.131 58.000 0.129 0.000 1.359 299 F CB 0.433 39.439 39.000 0.010 0.000 1.097 299 F HN 0.840 nan 8.300 nan 0.000 0.577 300 G N 1.017 109.968 108.800 0.252 0.000 2.663 300 G HA2 -0.191 3.770 3.960 0.001 0.000 0.686 300 G HA3 -0.191 3.770 3.960 0.001 0.000 0.686 300 G C 0.580 175.597 174.900 0.195 0.000 1.246 300 G CA -0.443 44.784 45.100 0.211 0.000 0.795 300 G HN 0.419 nan 8.290 nan 0.000 0.627 301 I N -1.522 119.145 120.570 0.160 0.000 2.614 301 I HA 0.266 4.437 4.170 0.001 0.000 0.258 301 I C 2.454 178.686 176.117 0.192 0.000 1.189 301 I CA 2.140 63.528 61.300 0.147 0.000 1.462 301 I CB -0.242 37.820 38.000 0.103 0.000 1.092 301 I HN 1.048 nan 8.210 nan 0.000 0.442 302 A N 1.187 124.160 122.820 0.255 0.000 2.121 302 A HA 0.258 4.578 4.320 0.001 0.000 0.218 302 A C 2.451 180.342 177.584 0.512 0.000 1.154 302 A CA 1.229 53.490 52.037 0.374 0.000 0.679 302 A CB -0.700 18.564 19.000 0.441 0.000 0.795 302 A HN 0.598 nan 8.150 nan 0.000 0.458 303 A N -0.850 122.127 122.820 0.262 0.000 2.123 303 A HA 0.209 4.529 4.320 0.001 0.000 0.214 303 A C 1.251 179.015 177.584 0.300 0.000 1.152 303 A CA 0.818 52.803 52.037 -0.086 0.000 0.728 303 A CB -0.664 18.041 19.000 -0.491 0.000 0.814 303 A HN 0.309 nan 8.150 nan 0.000 0.464 304 T N 0.534 115.264 114.554 0.293 0.000 2.908 304 T HA 0.087 4.438 4.350 0.001 0.000 0.301 304 T C -0.047 174.827 174.700 0.290 0.000 1.019 304 T CA 0.081 62.341 62.100 0.267 0.000 1.152 304 T CB -0.157 68.797 68.868 0.144 0.000 0.966 304 T HN 0.285 nan 8.240 nan 0.000 0.540 305 Y N 6.875 127.165 120.300 -0.016 0.000 2.847 305 Y HA 0.039 4.589 4.550 0.001 0.000 0.370 305 Y C -1.523 174.311 175.900 -0.111 0.000 1.335 305 Y CA -2.135 55.781 58.100 -0.306 0.000 1.693 305 Y CB 0.145 38.156 38.460 -0.748 0.000 1.209 305 Y HN 0.387 nan 8.280 nan 0.000 0.517 306 P HA 0.010 nan 4.420 nan 0.000 0.249 306 P C 1.090 178.059 177.300 -0.551 0.000 1.737 306 P CA 0.319 63.186 63.100 -0.389 0.000 1.128 306 P CB -0.026 31.478 31.700 -0.327 0.000 1.942 307 I N 1.461 121.780 120.570 -0.420 0.000 2.194 307 I HA -0.335 3.835 4.170 0.001 0.000 0.246 307 I C 2.229 178.222 176.117 -0.207 0.000 1.093 307 I CA 1.756 62.899 61.300 -0.261 0.000 1.355 307 I CB 0.129 38.100 38.000 -0.048 0.000 1.046 307 I HN 0.135 nan 8.210 nan 0.000 0.413 308 Q N 0.973 120.667 119.800 -0.177 0.000 2.123 308 Q HA -0.208 4.133 4.340 0.001 0.000 0.199 308 Q C 1.936 177.857 176.000 -0.131 0.000 0.966 308 Q CA 1.752 57.471 55.803 -0.141 0.000 0.845 308 Q CB -0.119 28.550 28.738 -0.114 0.000 0.907 308 Q HN 0.556 nan 8.270 nan 0.000 0.439 309 E N -0.658 119.442 120.200 -0.168 0.000 2.106 309 E HA -0.113 4.237 4.350 0.001 0.000 0.192 309 E C 1.768 178.284 176.600 -0.140 0.000 0.984 309 E CA 0.808 57.111 56.400 -0.162 0.000 0.806 309 E CB -0.117 29.447 29.700 -0.227 0.000 0.750 309 E HN 0.455 nan 8.360 nan 0.000 0.458 310 A N 0.810 123.518 122.820 -0.186 0.000 1.930 310 A HA -0.140 4.180 4.320 0.001 0.000 0.217 310 A C 2.331 179.939 177.584 0.039 0.000 1.175 310 A CA 1.620 53.608 52.037 -0.082 0.000 0.627 310 A CB -0.685 18.195 19.000 -0.200 0.000 0.815 310 A HN 0.154 nan 8.150 nan 0.000 0.443 311 T N -0.153 114.374 114.554 -0.045 0.000 2.746 311 T HA -0.111 4.239 4.350 0.001 0.000 0.267 311 T C 1.993 176.797 174.700 0.174 0.000 1.039 311 T CA 1.927 64.041 62.100 0.022 0.000 1.142 311 T CB -0.529 68.256 68.868 -0.139 0.000 0.866 311 T HN 0.536 nan 8.240 nan 0.000 0.444 312 T N 2.052 116.647 114.554 0.068 0.000 2.777 312 T HA 0.023 4.373 4.350 0.001 0.000 0.266 312 T C 1.950 176.692 174.700 0.070 0.000 1.040 312 T CA 0.992 63.133 62.100 0.068 0.000 1.141 312 T CB -0.294 68.579 68.868 0.008 0.000 0.868 312 T HN 0.277 nan 8.240 nan 0.000 0.444 313 M N 0.137 119.766 119.600 0.047 0.000 2.132 313 M HA -0.116 4.364 4.480 0.001 0.000 0.263 313 M C 2.263 178.551 176.300 -0.021 0.000 1.065 313 M CA 1.617 56.919 55.300 0.004 0.000 1.122 313 M CB -0.219 32.355 32.600 -0.044 0.000 1.365 313 M HN 0.356 nan 8.290 nan 0.000 0.411 314 H N -0.400 118.597 119.070 -0.121 0.000 2.353 314 H HA -0.171 4.386 4.556 0.001 0.000 0.300 314 H C 2.072 177.151 175.328 -0.415 0.000 1.090 314 H CA 1.579 57.425 56.048 -0.335 0.000 1.327 314 H CB -0.075 29.609 29.762 -0.129 0.000 1.383 314 H HN 0.417 nan 8.280 nan 0.000 0.508 315 K N 0.969 121.375 120.400 0.010 0.000 2.057 315 K HA -0.096 4.224 4.320 0.001 0.000 0.207 315 K C 2.347 178.969 176.600 0.037 0.000 1.049 315 K CA 1.018 57.299 56.287 -0.009 0.000 0.931 315 K CB -0.006 32.618 32.500 0.207 0.000 0.714 315 K HN 0.157 nan 8.250 nan 0.000 0.440 316 A N 0.559 123.402 122.820 0.039 0.000 1.930 316 A HA -0.139 4.181 4.320 0.001 0.000 0.217 316 A C 1.940 179.533 177.584 0.016 0.000 1.175 316 A CA 1.073 53.131 52.037 0.036 0.000 0.627 316 A CB -0.678 18.341 19.000 0.032 0.000 0.815 316 A HN 0.487 nan 8.150 nan 0.000 0.443 317 F N -0.396 119.429 119.950 -0.209 0.000 2.113 317 F HA -0.081 4.447 4.527 0.001 0.000 0.297 317 F C 1.771 177.493 175.800 -0.131 0.000 1.103 317 F CA 1.411 59.267 58.000 -0.240 0.000 1.248 317 F CB -0.278 38.446 39.000 -0.461 0.000 0.999 317 F HN 0.212 nan 8.300 nan 0.000 0.475 318 F N 0.701 120.647 119.950 -0.006 0.000 2.259 318 F HA -0.101 4.426 4.527 0.000 0.000 0.298 318 F C 2.262 178.080 175.800 0.030 0.000 1.088 318 F CA 1.001 58.959 58.000 -0.070 0.000 1.358 318 F CB -1.201 37.627 39.000 -0.287 0.000 1.040 318 F HN -0.026 nan 8.300 nan 0.000 0.505 319 D N -0.320 120.200 120.400 0.201 0.000 2.178 319 D HA -0.130 4.510 4.640 0.001 0.000 0.202 319 D C 2.400 178.687 176.300 -0.022 0.000 0.974 319 D CA 0.799 54.881 54.000 0.137 0.000 0.841 319 D CB -0.248 40.615 40.800 0.106 0.000 0.953 319 D HN 0.203 nan 8.370 nan 0.000 0.478 320 R N -0.326 120.070 120.500 -0.173 0.000 2.062 320 R HA -0.079 4.262 4.340 0.001 0.000 0.226 320 R C 1.872 177.904 176.300 -0.445 0.000 1.125 320 R CA 1.035 56.913 56.100 -0.370 0.000 0.966 320 R CB 0.058 30.003 30.300 -0.592 0.000 0.861 320 R HN 0.268 nan 8.270 nan 0.000 0.433 321 H N -0.780 118.194 119.070 -0.161 0.000 2.520 321 H HA 0.054 4.610 4.556 0.001 0.000 0.279 321 H C 1.544 176.848 175.328 -0.040 0.000 0.990 321 H CA 0.770 56.731 56.048 -0.145 0.000 1.288 321 H CB 0.540 30.122 29.762 -0.300 0.000 1.446 321 H HN 0.162 nan 8.280 nan 0.000 0.538 322 L N -0.415 120.877 121.223 0.115 0.000 2.470 322 L HA 0.158 4.499 4.340 0.001 0.000 0.219 322 L C 2.113 179.010 176.870 0.046 0.000 1.071 322 L CA 0.765 55.670 54.840 0.109 0.000 0.850 322 L CB 0.272 42.448 42.059 0.195 0.000 1.040 322 L HN -0.056 nan 8.230 nan 0.000 0.475 323 R N -0.873 119.645 120.500 0.030 0.000 2.335 323 R HA 0.327 4.667 4.340 0.001 0.000 0.210 323 R C 0.984 177.269 176.300 -0.025 0.000 0.892 323 R CA 0.625 56.714 56.100 -0.017 0.000 1.048 323 R CB 0.486 30.770 30.300 -0.027 0.000 1.067 323 R HN 0.271 nan 8.270 nan 0.000 0.524 324 G N 2.023 110.803 108.800 -0.033 0.000 2.147 324 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 324 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 324 G C -0.377 174.493 174.900 -0.050 0.000 1.005 324 G CA -0.100 44.975 45.100 -0.042 0.000 0.713 324 G HN 0.367 nan 8.290 nan 0.000 0.515 325 E N 1.288 121.452 120.200 -0.059 0.000 1.865 325 E HA 0.298 4.649 4.350 0.001 0.000 0.269 325 E C 1.892 178.447 176.600 -0.074 0.000 1.177 325 E CA 0.260 56.630 56.400 -0.050 0.000 0.932 325 E CB 0.220 29.901 29.700 -0.032 0.000 1.066 325 E HN 0.504 nan 8.360 nan 0.000 0.405 326 T N -0.184 114.334 114.554 -0.059 0.000 2.822 326 T HA -0.199 4.151 4.350 0.001 0.000 0.270 326 T C 0.847 175.517 174.700 -0.049 0.000 1.064 326 T CA 1.135 63.200 62.100 -0.058 0.000 1.131 326 T CB 0.042 68.891 68.868 -0.033 0.000 0.858 326 T HN 0.219 nan 8.240 nan 0.000 0.483 327 D N 0.728 121.106 120.400 -0.036 0.000 2.368 327 D HA 0.489 5.129 4.640 0.001 0.000 0.218 327 D C 1.894 178.181 176.300 -0.021 0.000 1.112 327 D CA 0.428 54.415 54.000 -0.022 0.000 0.834 327 D CB 0.121 40.915 40.800 -0.010 0.000 0.953 327 D HN 0.539 nan 8.370 nan 0.000 0.505 328 A N 0.313 123.111 122.820 -0.038 0.000 1.972 328 A HA -0.061 4.259 4.320 0.001 0.000 0.219 328 A C 1.769 179.344 177.584 -0.016 0.000 1.169 328 A CA 0.741 52.761 52.037 -0.028 0.000 0.635 328 A CB -0.300 18.674 19.000 -0.044 0.000 0.810 328 A HN 0.255 nan 8.150 nan 0.000 0.446 329 L N 0.088 121.298 121.223 -0.021 0.000 2.783 329 L HA 0.276 4.617 4.340 0.001 0.000 0.236 329 L C 0.809 177.690 176.870 0.018 0.000 1.225 329 L CA -0.485 54.361 54.840 0.011 0.000 1.026 329 L CB -0.095 41.984 42.059 0.035 0.000 1.314 329 L HN 0.348 nan 8.230 nan 0.000 0.489 330 A N -0.216 122.610 122.820 0.010 0.000 2.454 330 A HA 0.468 4.788 4.320 0.001 0.000 0.260 330 A C 1.400 178.993 177.584 0.015 0.000 1.106 330 A CA 0.696 52.740 52.037 0.013 0.000 0.780 330 A CB 0.082 19.087 19.000 0.008 0.000 1.044 330 A HN 0.618 nan 8.150 nan 0.000 0.498 331 G N 1.293 110.104 108.800 0.019 0.000 2.225 331 G HA2 -0.207 3.754 3.960 0.001 0.000 0.254 331 G HA3 -0.207 3.754 3.960 0.001 0.000 0.254 331 G C 0.267 175.177 174.900 0.017 0.000 0.988 331 G CA 0.178 45.289 45.100 0.017 0.000 0.625 331 G HN 1.444 nan 8.290 nan 0.000 0.527 332 V N 4.026 123.953 119.914 0.021 0.000 2.455 332 V HA 0.452 4.572 4.120 0.001 0.000 0.273 332 V C -0.589 175.526 176.094 0.035 0.000 1.045 332 V CA -1.035 61.277 62.300 0.019 0.000 0.976 332 V CB 1.109 32.945 31.823 0.022 0.000 0.993 332 V HN 0.356 nan 8.190 nan 0.000 0.475 333 P HA 0.216 nan 4.420 nan 0.000 0.274 333 P C 0.209 177.549 177.300 0.067 0.000 1.246 333 P CA -0.507 62.623 63.100 0.050 0.000 0.795 333 P CB 1.520 33.246 31.700 0.044 0.000 1.006 334 K N 0.434 120.893 120.400 0.100 0.000 2.062 334 K HA 0.066 4.387 4.320 0.001 0.000 0.205 334 K C 0.302 176.963 176.600 0.101 0.000 1.051 334 K CA 1.211 57.589 56.287 0.151 0.000 0.941 334 K CB -0.258 32.365 32.500 0.206 0.000 0.719 334 K HN 0.311 nan 8.250 nan 0.000 0.440 335 V N 0.500 120.450 119.914 0.062 0.000 2.709 335 V HA 0.451 4.572 4.120 0.001 0.000 0.308 335 V C -1.163 174.952 176.094 0.035 0.000 1.062 335 V CA -1.003 61.286 62.300 -0.018 0.000 0.901 335 V CB 1.880 33.709 31.823 0.009 0.000 1.003 335 V HN 0.109 nan 8.190 nan 0.000 0.425 336 R N 4.244 124.759 120.500 0.026 0.000 2.473 336 R HA 0.747 5.087 4.340 0.001 0.000 0.303 336 R C -1.867 174.577 176.300 0.241 0.000 1.002 336 R CA -0.395 55.783 56.100 0.130 0.000 0.884 336 R CB 1.078 31.415 30.300 0.062 0.000 1.173 336 R HN 0.735 nan 8.270 nan 0.000 0.464 337 L N 4.244 125.642 121.223 0.292 0.000 2.346 337 L HA 0.544 4.885 4.340 0.001 0.000 0.274 337 L C -0.697 176.269 176.870 0.160 0.000 1.007 337 L CA -1.067 53.923 54.840 0.251 0.000 0.818 337 L CB 1.811 44.039 42.059 0.281 0.000 1.284 337 L HN 0.528 nan 8.230 nan 0.000 0.424 338 F N 2.949 122.689 119.950 -0.350 0.000 2.350 338 F HA 0.404 4.931 4.527 0.000 0.000 0.365 338 F C -0.127 175.514 175.800 -0.265 0.000 1.122 338 F CA -0.571 56.959 58.000 -0.784 0.000 1.139 338 F CB 0.928 39.020 39.000 -1.512 0.000 1.220 338 F HN 0.047 nan 8.300 nan 0.000 0.499 339 V N 8.175 127.743 119.914 -0.575 0.000 2.389 339 V HA 0.127 4.247 4.120 0.001 0.000 0.264 339 V C 0.604 176.355 176.094 -0.571 0.000 1.049 339 V CA -0.385 61.661 62.300 -0.423 0.000 0.932 339 V CB 0.392 32.036 31.823 -0.298 0.000 1.011 339 V HN 0.763 nan 8.190 nan 0.000 0.475 340 M N 3.507 122.893 119.600 -0.357 0.000 2.198 340 M HA 0.490 4.970 4.480 0.001 0.000 0.315 340 M C 1.530 177.725 176.300 -0.174 0.000 1.134 340 M CA 1.176 56.386 55.300 -0.150 0.000 1.171 340 M CB 0.566 33.169 32.600 0.004 0.000 1.413 340 M HN 0.871 nan 8.290 nan 0.000 0.467 341 G N 1.243 110.017 108.800 -0.042 0.000 4.165 341 G HA2 -0.299 3.661 3.960 0.001 0.000 0.211 341 G HA3 -0.299 3.661 3.960 0.001 0.000 0.211 341 G C 0.607 175.429 174.900 -0.130 0.000 1.469 341 G CA 0.436 45.444 45.100 -0.153 0.000 0.964 341 G HN 0.849 nan 8.290 nan 0.000 0.613 342 I N -1.418 119.046 120.570 -0.176 0.000 2.928 342 I HA 0.296 4.466 4.170 0.001 0.000 0.266 342 I C 0.399 176.420 176.117 -0.160 0.000 1.234 342 I CA 0.966 62.176 61.300 -0.151 0.000 1.483 342 I CB -0.317 37.587 38.000 -0.160 0.000 1.097 342 I HN 0.141 nan 8.210 nan 0.000 0.455 343 D N 2.822 123.077 120.400 -0.241 0.000 2.735 343 D HA -0.175 4.465 4.640 0.001 0.000 0.235 343 D C -0.295 175.676 176.300 -0.548 0.000 1.175 343 D CA 1.041 54.846 54.000 -0.324 0.000 0.683 343 D CB -0.933 39.980 40.800 0.190 0.000 1.008 343 D HN 0.723 nan 8.370 nan 0.000 0.416 344 E N -1.105 118.565 120.200 -0.884 0.000 2.340 344 E HA 0.452 4.803 4.350 0.001 0.000 0.273 344 E C -0.400 175.828 176.600 -0.621 0.000 0.891 344 E CA -0.878 55.207 56.400 -0.525 0.000 0.757 344 E CB 1.160 30.733 29.700 -0.211 0.000 1.231 344 E HN 0.059 nan 8.360 nan 0.000 0.439 345 W N 1.748 122.948 121.300 -0.167 0.000 2.272 345 W HA 0.368 5.028 4.660 0.001 0.000 0.318 345 W C 0.441 176.934 176.519 -0.043 0.000 1.255 345 W CA -0.084 57.247 57.345 -0.024 0.000 1.200 345 W CB 0.881 30.404 29.460 0.104 0.000 1.170 345 W HN 0.141 nan 8.180 nan 0.000 0.549 346 R N 2.089 122.733 120.500 0.240 0.000 2.604 346 R HA 0.191 4.532 4.340 0.001 0.000 0.281 346 R C -1.399 174.994 176.300 0.155 0.000 1.020 346 R CA -0.791 55.393 56.100 0.139 0.000 0.899 346 R CB 1.264 31.595 30.300 0.051 0.000 1.205 346 R HN 0.327 nan 8.270 nan 0.000 0.450 347 D N 2.664 123.132 120.400 0.114 0.000 2.304 347 D HA 0.218 4.858 4.640 0.001 0.000 0.250 347 D C -0.268 176.087 176.300 0.091 0.000 1.107 347 D CA 0.238 54.296 54.000 0.096 0.000 0.885 347 D CB 1.332 42.174 40.800 0.070 0.000 1.192 347 D HN 0.290 nan 8.370 nan 0.000 0.436 348 E N -0.165 120.095 120.200 0.100 0.000 2.392 348 E HA 0.262 4.613 4.350 0.001 0.000 0.269 348 E C 0.593 177.261 176.600 0.113 0.000 0.924 348 E CA -0.493 55.972 56.400 0.108 0.000 0.784 348 E CB 1.670 31.455 29.700 0.143 0.000 1.292 348 E HN 0.393 nan 8.360 nan 0.000 0.447 349 T N -3.020 111.604 114.554 0.116 0.000 3.037 349 T HA 0.157 4.507 4.350 0.001 0.000 0.251 349 T C 0.220 175.029 174.700 0.182 0.000 1.079 349 T CA 0.283 62.460 62.100 0.129 0.000 1.067 349 T CB 0.329 69.256 68.868 0.099 0.000 0.948 349 T HN 0.247 nan 8.240 nan 0.000 0.496 350 D N -1.197 119.328 120.400 0.209 0.000 2.653 350 D HA 0.305 4.945 4.640 0.001 0.000 0.258 350 D C -2.279 174.231 176.300 0.350 0.000 1.252 350 D CA -0.665 53.518 54.000 0.306 0.000 0.777 350 D CB 1.573 42.504 40.800 0.218 0.000 1.339 350 D HN 0.163 nan 8.370 nan 0.000 0.422 351 W N 3.433 124.927 121.300 0.324 0.000 2.647 351 W HA 0.451 5.112 4.660 0.000 0.000 0.328 351 W C -2.930 173.789 176.519 0.332 0.000 1.018 351 W CA -1.766 55.729 57.345 0.251 0.000 1.245 351 W CB 1.653 31.156 29.460 0.072 0.000 1.356 351 W HN 0.183 nan 8.180 nan 0.000 0.443 352 P HA 0.011 nan 4.420 nan 0.000 0.269 352 P C -0.232 176.911 177.300 -0.262 0.000 1.215 352 P CA -0.098 62.592 63.100 -0.683 0.000 0.780 352 P CB 0.742 32.219 31.700 -0.372 0.000 0.898 353 L N 5.349 126.399 121.223 -0.287 0.000 2.525 353 L HA 0.014 4.354 4.340 0.001 0.000 0.278 353 L C -1.180 175.644 176.870 -0.076 0.000 1.218 353 L CA -0.344 54.436 54.840 -0.099 0.000 0.878 353 L CB -0.574 41.426 42.059 -0.099 0.000 1.127 353 L HN 0.442 nan 8.230 nan 0.000 0.492 354 P HA -0.174 nan 4.420 nan 0.000 0.217 354 P C 0.271 177.558 177.300 -0.022 0.000 1.151 354 P CA 1.397 64.497 63.100 -0.001 0.000 0.849 354 P CB 0.054 31.767 31.700 0.021 0.000 0.787 355 D N -2.291 118.083 120.400 -0.042 0.000 2.460 355 D HA 0.008 4.648 4.640 0.001 0.000 0.229 355 D C -0.397 175.840 176.300 -0.105 0.000 1.170 355 D CA 0.044 54.012 54.000 -0.053 0.000 0.827 355 D CB -1.093 39.685 40.800 -0.037 0.000 0.973 355 D HN 0.010 nan 8.370 nan 0.000 0.496 356 T N 1.046 115.500 114.554 -0.166 0.000 2.769 356 T HA 0.426 4.776 4.350 0.001 0.000 0.293 356 T C 0.257 174.749 174.700 -0.346 0.000 0.931 356 T CA -0.358 61.541 62.100 -0.336 0.000 1.139 356 T CB 1.026 69.563 68.868 -0.553 0.000 0.881 356 T HN 0.301 nan 8.240 nan 0.000 0.532 357 A N 4.306 126.949 122.820 -0.295 0.000 2.341 357 A HA 0.464 4.785 4.320 0.001 0.000 0.326 357 A C -0.526 176.943 177.584 -0.192 0.000 1.402 357 A CA -0.657 51.283 52.037 -0.161 0.000 0.957 357 A CB -0.210 18.747 19.000 -0.071 0.000 1.151 357 A HN 0.836 nan 8.150 nan 0.000 0.533 358 Y N 2.259 122.557 120.300 -0.004 0.000 2.644 358 Y HA 0.178 4.728 4.550 0.000 0.000 0.354 358 Y C 0.778 176.691 175.900 0.022 0.000 1.166 358 Y CA 0.585 58.689 58.100 0.006 0.000 1.591 358 Y CB 0.045 38.505 38.460 -0.002 0.000 1.346 358 Y HN 0.539 nan 8.280 nan 0.000 0.497 359 T N 6.021 120.662 114.554 0.145 0.000 2.749 359 T HA 0.305 4.656 4.350 0.001 0.000 0.287 359 T C -2.594 172.201 174.700 0.158 0.000 0.970 359 T CA -1.894 60.282 62.100 0.127 0.000 0.980 359 T CB 1.199 70.164 68.868 0.161 0.000 0.924 359 T HN 0.179 nan 8.240 nan 0.000 0.456 360 P HA 0.371 nan 4.420 nan 0.000 0.281 360 P C -0.968 176.126 177.300 -0.343 0.000 1.252 360 P CA -0.451 62.487 63.100 -0.270 0.000 0.778 360 P CB 0.268 31.493 31.700 -0.792 0.000 0.895 361 F N 3.084 122.819 119.950 -0.358 0.000 2.382 361 F HA 0.348 4.875 4.527 0.000 0.000 0.361 361 F C 0.044 175.711 175.800 -0.222 0.000 1.109 361 F CA -0.471 57.398 58.000 -0.217 0.000 1.031 361 F CB 0.450 39.383 39.000 -0.112 0.000 1.234 361 F HN 0.263 nan 8.300 nan 0.000 0.445 362 Y N 3.236 123.602 120.300 0.109 0.000 2.346 362 Y HA 0.319 4.870 4.550 0.001 0.000 0.330 362 Y C 0.044 175.970 175.900 0.043 0.000 1.178 362 Y CA -0.661 57.489 58.100 0.084 0.000 1.331 362 Y CB 0.400 38.872 38.460 0.019 0.000 1.253 362 Y HN 0.253 nan 8.280 nan 0.000 0.529 363 L N 2.923 124.217 121.223 0.119 0.000 2.367 363 L HA 0.534 4.874 4.340 0.001 0.000 0.275 363 L C 0.716 177.630 176.870 0.073 0.000 1.129 363 L CA 0.554 55.337 54.840 -0.095 0.000 0.839 363 L CB 0.303 42.081 42.059 -0.469 0.000 1.133 363 L HN 0.893 nan 8.230 nan 0.000 0.453 364 G N 0.505 109.408 108.800 0.172 0.000 2.753 364 G HA2 0.743 4.703 3.960 0.001 0.000 0.303 364 G HA3 0.743 4.703 3.960 0.001 0.000 0.303 364 G C -0.672 174.351 174.900 0.205 0.000 1.242 364 G CA -0.101 45.100 45.100 0.168 0.000 0.810 364 G HN 0.936 nan 8.290 nan 0.000 0.515 365 G N -1.585 107.291 108.800 0.127 0.000 2.484 365 G HA2 0.426 4.387 3.960 0.001 0.000 0.685 365 G HA3 0.426 4.387 3.960 0.001 0.000 0.685 365 G C -0.453 174.490 174.900 0.070 0.000 1.294 365 G CA 0.070 45.229 45.100 0.099 0.000 0.879 365 G HN 1.401 nan 8.290 nan 0.000 0.646 366 S N 0.763 116.491 115.700 0.047 0.000 2.513 366 S HA 0.784 5.254 4.470 0.001 0.000 0.276 366 S C 1.106 175.723 174.600 0.027 0.000 1.254 366 S CA 1.263 59.483 58.200 0.033 0.000 1.053 366 S CB 0.937 64.151 63.200 0.023 0.000 0.958 366 S HN 2.561 nan 8.310 nan 0.000 0.491 367 G N 2.027 110.842 108.800 0.026 0.000 2.642 367 G HA2 0.089 4.049 3.960 0.001 0.000 0.231 367 G HA3 0.089 4.049 3.960 0.001 0.000 0.231 367 G C -0.138 174.776 174.900 0.022 0.000 1.338 367 G CA -0.515 44.596 45.100 0.020 0.000 0.883 367 G HN 1.300 nan 8.290 nan 0.000 0.570 368 A N -0.415 122.412 122.820 0.012 0.000 2.363 368 A HA 0.815 5.136 4.320 0.001 0.000 0.270 368 A C 1.263 178.829 177.584 -0.030 0.000 1.121 368 A CA 0.918 52.960 52.037 0.008 0.000 0.800 368 A CB 1.069 20.077 19.000 0.012 0.000 1.052 368 A HN 2.461 nan 8.150 nan 0.000 0.493 369 A N 2.801 125.585 122.820 -0.061 0.000 2.307 369 A HA 0.199 4.519 4.320 0.001 0.000 0.218 369 A C 0.485 177.931 177.584 -0.229 0.000 1.228 369 A CA -0.266 51.642 52.037 -0.216 0.000 0.857 369 A CB -0.666 18.065 19.000 -0.449 0.000 0.897 369 A HN 0.829 nan 8.150 nan 0.000 0.495 370 N N 1.978 120.614 118.700 -0.107 0.000 2.458 370 N HA 0.369 5.109 4.740 0.001 0.000 0.258 370 N C 0.321 175.771 175.510 -0.101 0.000 1.219 370 N CA 1.393 54.392 53.050 -0.085 0.000 0.902 370 N CB 0.165 38.644 38.487 -0.012 0.000 1.076 370 N HN 0.546 nan 8.380 nan 0.000 0.455 371 T N -1.668 112.818 114.554 -0.112 0.000 0.541 371 T HA -0.237 4.113 4.350 0.001 0.000 0.774 371 T C 0.874 175.471 174.700 -0.173 0.000 0.992 371 T CA 0.299 62.334 62.100 -0.108 0.000 4.077 371 T CB -1.269 67.567 68.868 -0.054 0.000 2.303 371 T HN 0.728 nan 8.240 nan 0.000 0.398 372 S N -0.599 114.970 115.700 -0.218 0.000 2.481 372 S HA 0.030 4.500 4.470 0.001 0.000 0.231 372 S C 1.819 176.325 174.600 -0.157 0.000 0.996 372 S CA 1.300 59.317 58.200 -0.304 0.000 0.942 372 S CB -0.795 62.088 63.200 -0.528 0.000 0.768 372 S HN 1.937 nan 8.310 nan 0.000 0.520 373 T N -1.426 113.069 114.554 -0.097 0.000 3.122 373 T HA 0.467 4.817 4.350 0.001 0.000 0.250 373 T C 0.955 175.622 174.700 -0.055 0.000 1.067 373 T CA -0.011 62.056 62.100 -0.055 0.000 0.966 373 T CB -0.024 68.828 68.868 -0.027 0.000 1.002 373 T HN 0.396 nan 8.240 nan 0.000 0.542 374 G N 0.417 109.167 108.800 -0.083 0.000 2.553 374 G HA2 0.476 4.437 3.960 0.001 0.000 0.278 374 G HA3 0.476 4.437 3.960 0.001 0.000 0.278 374 G C 0.846 175.706 174.900 -0.066 0.000 1.349 374 G CA -0.406 44.647 45.100 -0.078 0.000 1.037 374 G HN 0.336 nan 8.290 nan 0.000 0.508 375 G N -1.127 107.641 108.800 -0.054 0.000 3.284 375 G HA2 0.426 4.386 3.960 0.001 0.000 0.236 375 G HA3 0.426 4.386 3.960 0.001 0.000 0.236 375 G C 0.792 175.686 174.900 -0.009 0.000 1.158 375 G CA 0.454 45.541 45.100 -0.022 0.000 0.774 375 G HN 0.850 nan 8.290 nan 0.000 0.545 376 G N 0.920 109.674 108.800 -0.078 0.000 2.340 376 G HA2 0.419 4.379 3.960 0.001 0.000 0.245 376 G HA3 0.419 4.379 3.960 0.001 0.000 0.245 376 G C 0.315 175.281 174.900 0.109 0.000 1.294 376 G CA 0.727 45.802 45.100 -0.041 0.000 0.896 376 G HN 0.450 nan 8.290 nan 0.000 0.522 377 T N -0.330 114.377 114.554 0.255 0.000 2.916 377 T HA 0.727 5.078 4.350 0.001 0.000 0.292 377 T C -0.439 174.412 174.700 0.252 0.000 1.064 377 T CA -0.984 61.240 62.100 0.206 0.000 1.011 377 T CB 1.891 70.840 68.868 0.135 0.000 1.152 377 T HN 0.321 nan 8.240 nan 0.000 0.510 378 L N 1.471 122.815 121.223 0.202 0.000 2.385 378 L HA 0.774 5.114 4.340 0.001 0.000 0.273 378 L C -0.311 176.676 176.870 0.196 0.000 0.990 378 L CA -0.704 54.268 54.840 0.219 0.000 0.821 378 L CB 2.121 44.324 42.059 0.239 0.000 1.279 378 L HN 0.923 nan 8.230 nan 0.000 0.412 379 S N -0.574 115.221 115.700 0.160 0.000 2.550 379 S HA 0.321 4.791 4.470 0.001 0.000 0.270 379 S C 0.570 175.110 174.600 -0.099 0.000 1.145 379 S CA -0.052 58.165 58.200 0.028 0.000 0.852 379 S CB 1.772 64.998 63.200 0.044 0.000 1.119 379 S HN 0.739 nan 8.310 nan 0.000 0.465 380 T N 0.408 114.772 114.554 -0.318 0.000 3.085 380 T HA 0.190 4.540 4.350 0.001 0.000 0.263 380 T C 0.640 175.340 174.700 0.001 0.000 1.127 380 T CA 0.296 62.179 62.100 -0.362 0.000 1.103 380 T CB -0.199 68.381 68.868 -0.480 0.000 0.921 380 T HN 0.321 nan 8.240 nan 0.000 0.510 381 S N 0.955 116.657 115.700 0.003 0.000 2.541 381 S HA 0.575 5.045 4.470 0.001 0.000 0.283 381 S C 0.225 174.722 174.600 -0.172 0.000 1.196 381 S CA -0.857 57.303 58.200 -0.065 0.000 1.062 381 S CB 0.888 64.042 63.200 -0.077 0.000 1.009 381 S HN 0.355 nan 8.310 nan 0.000 0.502 382 I N 2.332 122.617 120.570 -0.474 0.000 2.648 382 I HA 0.017 4.188 4.170 0.001 0.000 0.284 382 I C 0.677 176.618 176.117 -0.293 0.000 1.153 382 I CA 0.030 60.913 61.300 -0.696 0.000 1.426 382 I CB 0.406 38.015 38.000 -0.652 0.000 1.381 382 I HN 0.481 nan 8.210 nan 0.000 0.571 383 S N 4.364 119.946 115.700 -0.198 0.000 2.549 383 S HA 0.084 4.554 4.470 0.001 0.000 0.283 383 S C 1.258 175.805 174.600 -0.088 0.000 1.320 383 S CA -0.213 57.940 58.200 -0.078 0.000 1.058 383 S CB 1.325 64.519 63.200 -0.010 0.000 0.882 383 S HN 0.909 nan 8.310 nan 0.000 0.498 384 G N 1.835 110.600 108.800 -0.059 0.000 2.551 384 G HA2 0.059 4.019 3.960 0.001 0.000 0.216 384 G HA3 0.059 4.019 3.960 0.001 0.000 0.216 384 G C 0.515 175.394 174.900 -0.036 0.000 1.137 384 G CA 0.422 45.489 45.100 -0.054 0.000 0.798 384 G HN 0.721 nan 8.290 nan 0.000 0.536 385 T N -1.261 113.283 114.554 -0.017 0.000 2.823 385 T HA 0.532 4.882 4.350 0.001 0.000 0.279 385 T C -0.701 174.004 174.700 0.010 0.000 0.998 385 T CA -0.790 61.308 62.100 -0.003 0.000 0.994 385 T CB 2.685 71.557 68.868 0.006 0.000 0.960 385 T HN -0.131 nan 8.240 nan 0.000 0.448 386 E N 2.382 122.592 120.200 0.016 0.000 2.166 386 E HA 0.386 4.736 4.350 0.001 0.000 0.279 386 E C -0.373 176.251 176.600 0.040 0.000 1.095 386 E CA 0.103 56.527 56.400 0.040 0.000 0.888 386 E CB 0.912 30.645 29.700 0.055 0.000 1.041 386 E HN 0.709 nan 8.360 nan 0.000 0.414 387 S N 0.839 116.566 115.700 0.044 0.000 2.704 387 S HA 0.892 5.362 4.470 0.001 0.000 0.296 387 S C -0.938 173.668 174.600 0.011 0.000 1.138 387 S CA -0.767 57.454 58.200 0.034 0.000 0.875 387 S CB 2.107 65.335 63.200 0.047 0.000 1.151 387 S HN 0.512 nan 8.310 nan 0.000 0.500 388 A N 1.144 123.952 122.820 -0.019 0.000 2.517 388 A HA 0.664 4.984 4.320 0.001 0.000 0.297 388 A C -2.097 175.467 177.584 -0.034 0.000 1.050 388 A CA -0.773 51.197 52.037 -0.111 0.000 0.694 388 A CB 1.115 19.958 19.000 -0.262 0.000 1.277 388 A HN 0.649 nan 8.150 nan 0.000 0.400 389 D N 2.013 122.419 120.400 0.010 0.000 2.308 389 D HA 0.577 5.217 4.640 0.001 0.000 0.242 389 D C -0.549 175.820 176.300 0.115 0.000 1.059 389 D CA 0.296 54.356 54.000 0.100 0.000 0.830 389 D CB 1.992 42.910 40.800 0.197 0.000 1.161 389 D HN 0.427 nan 8.370 nan 0.000 0.494 390 T N 1.790 116.413 114.554 0.115 0.000 2.887 390 T HA 0.628 4.979 4.350 0.001 0.000 0.288 390 T C -0.582 174.243 174.700 0.209 0.000 1.021 390 T CA -0.716 61.434 62.100 0.084 0.000 1.000 390 T CB 1.129 70.003 68.868 0.010 0.000 1.034 390 T HN 0.385 nan 8.240 nan 0.000 0.467 391 Y N 0.193 120.542 120.300 0.081 0.000 2.670 391 Y HA 0.802 5.353 4.550 0.001 0.000 0.334 391 Y C -1.966 173.990 175.900 0.092 0.000 1.185 391 Y CA -1.807 56.341 58.100 0.081 0.000 1.053 391 Y CB 0.928 39.443 38.460 0.092 0.000 1.298 391 Y HN 0.531 nan 8.280 nan 0.000 0.459 392 L N 3.080 124.457 121.223 0.256 0.000 2.287 392 L HA 0.474 4.815 4.340 0.001 0.000 0.287 392 L C -1.479 175.561 176.870 0.283 0.000 1.022 392 L CA -0.773 54.160 54.840 0.156 0.000 0.814 392 L CB 0.830 42.942 42.059 0.089 0.000 1.217 392 L HN 0.691 nan 8.230 nan 0.000 0.420 393 Y N 4.803 125.166 120.300 0.105 0.000 2.353 393 Y HA 0.508 5.058 4.550 0.001 0.000 0.340 393 Y C -1.029 174.889 175.900 0.030 0.000 0.972 393 Y CA -1.122 57.043 58.100 0.108 0.000 1.157 393 Y CB 0.874 39.391 38.460 0.095 0.000 1.157 393 Y HN 0.671 nan 8.280 nan 0.000 0.495 394 D N 8.348 128.529 120.400 -0.366 0.000 2.425 394 D HA 0.361 5.001 4.640 0.001 0.000 0.240 394 D C -2.265 173.716 176.300 -0.530 0.000 1.080 394 D CA -2.580 51.164 54.000 -0.427 0.000 0.836 394 D CB 2.521 43.226 40.800 -0.158 0.000 1.125 394 D HN 0.317 nan 8.370 nan 0.000 0.525 395 P HA -0.067 nan 4.420 nan 0.000 0.221 395 P C 0.826 178.001 177.300 -0.209 0.000 1.145 395 P CA 0.961 63.844 63.100 -0.361 0.000 0.795 395 P CB 0.327 31.857 31.700 -0.284 0.000 0.775 396 A N -1.020 121.691 122.820 -0.182 0.000 2.066 396 A HA -0.091 4.229 4.320 0.001 0.000 0.218 396 A C 1.135 178.664 177.584 -0.091 0.000 1.157 396 A CA 1.215 53.175 52.037 -0.128 0.000 0.670 396 A CB -0.605 18.337 19.000 -0.097 0.000 0.804 396 A HN 0.082 nan 8.150 nan 0.000 0.453 397 D N -0.495 119.866 120.400 -0.065 0.000 2.468 397 D HA 0.288 4.928 4.640 0.001 0.000 0.272 397 D C -2.829 173.513 176.300 0.069 0.000 1.221 397 D CA -1.916 52.084 54.000 -0.001 0.000 0.860 397 D CB 1.230 42.038 40.800 0.013 0.000 1.190 397 D HN 0.159 nan 8.370 nan 0.000 0.509 398 P HA 0.192 nan 4.420 nan 0.000 0.278 398 P C -0.191 177.209 177.300 0.166 0.000 1.266 398 P CA -0.598 62.612 63.100 0.184 0.000 0.807 398 P CB 1.327 33.100 31.700 0.121 0.000 1.094 399 V N 2.824 122.833 119.914 0.159 0.000 2.470 399 V HA 0.113 4.234 4.120 0.001 0.000 0.276 399 V C -1.922 174.269 176.094 0.161 0.000 1.040 399 V CA -1.177 61.199 62.300 0.126 0.000 1.008 399 V CB 0.002 31.874 31.823 0.081 0.000 0.990 399 V HN 0.560 nan 8.190 nan 0.000 0.477 400 P HA 0.148 nan 4.420 nan 0.000 0.271 400 P C -0.328 177.048 177.300 0.126 0.000 1.216 400 P CA 0.029 63.224 63.100 0.159 0.000 0.776 400 P CB 0.471 32.253 31.700 0.136 0.000 0.881 401 S N 2.540 118.309 115.700 0.115 0.000 2.510 401 S HA 0.281 4.751 4.470 0.001 0.000 0.279 401 S C -0.016 174.643 174.600 0.099 0.000 1.284 401 S CA -0.132 58.123 58.200 0.092 0.000 1.059 401 S CB -0.397 62.835 63.200 0.054 0.000 0.901 401 S HN 0.280 nan 8.310 nan 0.000 0.491 402 L N 3.489 124.753 121.223 0.069 0.000 2.427 402 L HA 0.530 4.871 4.340 0.001 0.000 0.264 402 L C 0.823 177.709 176.870 0.026 0.000 0.989 402 L CA -0.414 54.448 54.840 0.035 0.000 0.865 402 L CB 0.785 42.856 42.059 0.020 0.000 1.209 402 L HN 0.977 nan 8.230 nan 0.000 0.430 403 G N 2.376 111.179 108.800 0.005 0.000 2.528 403 G HA2 0.090 4.051 3.960 0.001 0.000 0.262 403 G HA3 0.090 4.051 3.960 0.001 0.000 0.262 403 G C 0.448 175.389 174.900 0.069 0.000 1.200 403 G CA -0.150 44.949 45.100 -0.002 0.000 0.951 403 G HN 1.425 nan 8.290 nan 0.000 0.566 404 G N -2.524 106.367 108.800 0.152 0.000 2.509 404 G HA2 0.185 4.145 3.960 0.001 0.000 0.259 404 G HA3 0.185 4.145 3.960 0.001 0.000 0.259 404 G C 1.205 176.281 174.900 0.292 0.000 1.169 404 G CA 2.288 47.552 45.100 0.274 0.000 0.953 404 G HN 2.702 nan 8.290 nan 0.000 0.563 405 T N -0.489 114.165 114.554 0.168 0.000 3.251 405 T HA 0.622 4.972 4.350 0.001 0.000 0.259 405 T C 0.977 175.693 174.700 0.027 0.000 0.998 405 T CA 0.160 62.331 62.100 0.119 0.000 0.905 405 T CB -0.253 68.660 68.868 0.075 0.000 1.067 405 T HN 0.634 nan 8.240 nan 0.000 0.569 406 L N 1.374 122.612 121.223 0.026 0.000 2.525 406 L HA 0.201 4.541 4.340 0.001 0.000 0.278 406 L C 1.366 178.240 176.870 0.007 0.000 1.218 406 L CA -0.166 54.674 54.840 0.000 0.000 0.878 406 L CB 0.592 42.667 42.059 0.026 0.000 1.127 406 L HN 0.289 nan 8.230 nan 0.000 0.492 407 L N 2.106 123.331 121.223 0.003 0.000 2.262 407 L HA 0.050 4.390 4.340 0.001 0.000 0.197 407 L C 1.370 178.107 176.870 -0.222 0.000 1.073 407 L CA 0.867 55.663 54.840 -0.075 0.000 0.800 407 L CB -0.033 42.012 42.059 -0.025 0.000 0.987 407 L HN 0.532 nan 8.230 nan 0.000 0.470 408 F N -2.569 117.446 119.950 0.108 0.000 2.592 408 F HA 0.121 4.648 4.527 0.001 0.000 0.280 408 F C 1.410 177.272 175.800 0.102 0.000 1.083 408 F CA -0.222 57.855 58.000 0.127 0.000 1.365 408 F CB 0.199 39.300 39.000 0.168 0.000 1.100 408 F HN -0.023 nan 8.300 nan 0.000 0.633 409 H N 2.464 121.637 119.070 0.171 0.000 2.934 409 H HA 0.070 4.626 4.556 0.001 0.000 0.273 409 H C -0.165 175.179 175.328 0.027 0.000 1.121 409 H CA -0.061 56.029 56.048 0.070 0.000 1.451 409 H CB -0.071 29.688 29.762 -0.004 0.000 1.469 409 H HN 0.184 nan 8.280 nan 0.000 0.476 410 N N 3.484 121.976 118.700 -0.346 0.000 2.699 410 N HA -0.155 4.585 4.740 0.001 0.000 0.256 410 N C 0.953 176.385 175.510 -0.129 0.000 0.993 410 N CA 0.992 53.877 53.050 -0.275 0.000 0.759 410 N CB -1.217 37.025 38.487 -0.409 0.000 0.906 410 N HN 0.861 nan 8.380 nan 0.000 0.541 411 G N -0.082 108.676 108.800 -0.070 0.000 3.262 411 G HA2 -0.039 3.921 3.960 0.001 0.000 0.228 411 G HA3 -0.039 3.921 3.960 0.001 0.000 0.228 411 G C 0.661 175.548 174.900 -0.022 0.000 1.197 411 G CA 0.281 45.360 45.100 -0.034 0.000 0.819 411 G HN 0.452 nan 8.290 nan 0.000 0.531 412 D N -1.030 119.345 120.400 -0.041 0.000 2.501 412 D HA 0.078 4.718 4.640 0.001 0.000 0.226 412 D C 0.400 176.674 176.300 -0.044 0.000 1.198 412 D CA -0.669 53.314 54.000 -0.029 0.000 0.830 412 D CB 0.104 40.883 40.800 -0.035 0.000 1.014 412 D HN 0.094 nan 8.370 nan 0.000 0.496 413 N N -0.016 118.644 118.700 -0.068 0.000 2.646 413 N HA 0.230 4.970 4.740 0.001 0.000 0.296 413 N C 1.336 176.745 175.510 -0.169 0.000 1.886 413 N CA 0.050 53.034 53.050 -0.111 0.000 0.855 413 N CB 0.632 39.056 38.487 -0.105 0.000 1.336 413 N HN 0.035 nan 8.380 nan 0.000 0.496 414 G N 1.294 109.956 108.800 -0.231 0.000 2.553 414 G HA2 -0.175 3.785 3.960 0.001 0.000 0.218 414 G HA3 -0.175 3.785 3.960 0.001 0.000 0.218 414 G C -1.296 173.157 174.900 -0.745 0.000 1.195 414 G CA 0.612 45.435 45.100 -0.461 0.000 0.779 414 G HN 0.436 nan 8.290 nan 0.000 0.577 415 P HA 0.407 nan 4.420 nan 0.000 0.220 415 P C -0.224 176.937 177.300 -0.230 0.000 1.806 415 P CA -0.104 62.732 63.100 -0.440 0.000 0.976 415 P CB 0.074 31.616 31.700 -0.264 0.000 1.952 416 A N 1.503 124.223 122.820 -0.167 0.000 2.388 416 A HA 0.202 4.523 4.320 0.001 0.000 0.257 416 A C 0.318 177.843 177.584 -0.100 0.000 1.095 416 A CA -0.285 51.678 52.037 -0.124 0.000 0.791 416 A CB 0.011 18.959 19.000 -0.087 0.000 1.029 416 A HN 0.203 nan 8.150 nan 0.000 0.489 417 D N 1.013 121.337 120.400 -0.126 0.000 2.383 417 D HA 0.099 4.739 4.640 0.001 0.000 0.252 417 D C 0.708 176.929 176.300 -0.133 0.000 1.166 417 D CA 0.136 54.055 54.000 -0.135 0.000 0.879 417 D CB 0.799 41.507 40.800 -0.154 0.000 1.164 417 D HN 0.400 nan 8.370 nan 0.000 0.462 418 Q N 3.352 123.057 119.800 -0.158 0.000 2.403 418 Q HA 0.055 4.395 4.340 0.001 0.000 0.203 418 Q C 1.582 177.268 176.000 -0.524 0.000 0.932 418 Q CA 0.140 55.815 55.803 -0.213 0.000 0.945 418 Q CB 0.143 28.844 28.738 -0.061 0.000 1.045 418 Q HN 0.545 nan 8.270 nan 0.000 0.511 419 R N 0.597 120.762 120.500 -0.558 0.000 2.139 419 R HA -0.148 4.192 4.340 0.001 0.000 0.243 419 R C -0.639 175.520 176.300 -0.235 0.000 1.145 419 R CA 1.229 57.006 56.100 -0.538 0.000 0.976 419 R CB -1.017 29.133 30.300 -0.249 0.000 0.866 419 R HN 0.217 nan 8.270 nan 0.000 0.449 420 P HA -0.111 nan 4.420 nan 0.000 0.222 420 P C 0.968 178.262 177.300 -0.010 0.000 1.147 420 P CA 1.126 64.194 63.100 -0.053 0.000 0.790 420 P CB 0.017 31.693 31.700 -0.039 0.000 0.780 421 I N -6.824 113.741 120.570 -0.009 0.000 4.018 421 I HA 0.177 4.347 4.170 0.001 0.000 0.337 421 I C 1.581 177.780 176.117 0.136 0.000 1.327 421 I CA 0.038 61.373 61.300 0.058 0.000 1.100 421 I CB -0.730 37.308 38.000 0.063 0.000 1.025 421 I HN -0.066 nan 8.210 nan 0.000 0.396 422 H N 2.379 121.455 119.070 0.009 0.000 2.491 422 H HA -0.115 4.442 4.556 0.001 0.000 0.290 422 H C 1.380 176.705 175.328 -0.006 0.000 1.050 422 H CA 1.277 57.325 56.048 0.000 0.000 1.309 422 H CB 0.274 30.038 29.762 0.004 0.000 1.392 422 H HN 0.616 nan 8.280 nan 0.000 0.554 423 D N 0.834 121.308 120.400 0.123 0.000 2.347 423 D HA -0.074 4.566 4.640 0.001 0.000 0.215 423 D C 0.459 176.783 176.300 0.040 0.000 0.976 423 D CA 0.114 54.152 54.000 0.063 0.000 0.884 423 D CB -0.018 40.814 40.800 0.053 0.000 0.915 423 D HN 0.230 nan 8.370 nan 0.000 0.526 424 R N 1.073 121.599 120.500 0.043 0.000 2.442 424 R HA 0.061 4.402 4.340 0.001 0.000 0.291 424 R C 0.431 176.733 176.300 0.003 0.000 1.069 424 R CA -0.103 56.014 56.100 0.028 0.000 1.022 424 R CB 0.767 31.087 30.300 0.033 0.000 0.976 424 R HN -0.014 nan 8.270 nan 0.000 0.443 425 D N 1.415 121.824 120.400 0.016 0.000 2.264 425 D HA -0.144 4.496 4.640 0.001 0.000 0.208 425 D C 0.895 177.191 176.300 -0.007 0.000 0.966 425 D CA 1.111 55.122 54.000 0.019 0.000 0.864 425 D CB 0.268 41.100 40.800 0.054 0.000 0.933 425 D HN 0.585 nan 8.370 nan 0.000 0.499 426 D N -0.526 119.853 120.400 -0.034 0.000 2.328 426 D HA -0.040 4.600 4.640 0.001 0.000 0.226 426 D C -0.136 175.912 176.300 -0.421 0.000 1.066 426 D CA 0.004 53.877 54.000 -0.212 0.000 0.861 426 D CB -0.003 40.814 40.800 0.028 0.000 0.912 426 D HN 0.014 nan 8.370 nan 0.000 0.521 427 V N 1.859 121.639 119.914 -0.224 0.000 2.293 427 V HA 0.240 4.360 4.120 0.001 0.000 0.275 427 V C 0.149 176.136 176.094 -0.178 0.000 1.021 427 V CA -0.768 61.428 62.300 -0.173 0.000 0.815 427 V CB 1.267 33.063 31.823 -0.046 0.000 1.025 427 V HN 0.107 nan 8.190 nan 0.000 0.448 428 L N 4.491 125.594 121.223 -0.200 0.000 2.290 428 L HA 0.456 4.797 4.340 0.001 0.000 0.284 428 L C -0.257 176.452 176.870 -0.269 0.000 1.078 428 L CA -0.098 54.610 54.840 -0.220 0.000 0.815 428 L CB 0.912 42.924 42.059 -0.078 0.000 1.162 428 L HN 0.549 nan 8.230 nan 0.000 0.435 429 C N 3.065 122.099 119.300 -0.443 0.000 2.379 429 C HA 0.603 5.063 4.460 0.001 0.000 0.323 429 C C -0.539 174.127 174.990 -0.540 0.000 1.262 429 C CA -0.857 57.952 59.018 -0.348 0.000 1.581 429 C CB 0.373 27.952 27.740 -0.268 0.000 2.221 429 C HN 0.527 nan 8.230 nan 0.000 0.497 430 Y N 1.204 121.512 120.300 0.013 0.000 2.346 430 Y HA 0.557 5.108 4.550 0.001 0.000 0.332 430 Y C 0.377 176.297 175.900 0.033 0.000 0.985 430 Y CA -0.270 57.851 58.100 0.034 0.000 1.112 430 Y CB 1.596 40.091 38.460 0.059 0.000 1.170 430 Y HN 0.632 nan 8.280 nan 0.000 0.447 431 S N 0.946 116.736 115.700 0.151 0.000 2.548 431 S HA 0.566 5.037 4.470 0.001 0.000 0.286 431 S C -0.231 174.432 174.600 0.104 0.000 1.098 431 S CA -1.061 57.201 58.200 0.104 0.000 0.930 431 S CB 1.645 64.881 63.200 0.060 0.000 1.070 431 S HN 0.679 nan 8.310 nan 0.000 0.480 432 T N 0.014 114.619 114.554 0.085 0.000 2.788 432 T HA 0.435 4.786 4.350 0.001 0.000 0.280 432 T C 0.058 174.798 174.700 0.067 0.000 0.984 432 T CA -0.736 61.419 62.100 0.091 0.000 0.972 432 T CB 0.273 69.191 68.868 0.083 0.000 1.039 432 T HN 0.428 nan 8.240 nan 0.000 0.530 433 E N 0.175 120.412 120.200 0.061 0.000 2.369 433 E HA 0.251 4.602 4.350 0.001 0.000 0.255 433 E C -0.053 176.576 176.600 0.048 0.000 1.172 433 E CA -0.480 55.949 56.400 0.048 0.000 0.932 433 E CB 0.844 30.567 29.700 0.039 0.000 1.040 433 E HN 0.496 nan 8.360 nan 0.000 0.454 434 V N 2.582 122.522 119.914 0.044 0.000 2.493 434 V HA -0.068 4.052 4.120 0.001 0.000 0.292 434 V C 0.716 176.839 176.094 0.048 0.000 1.016 434 V CA 0.286 62.615 62.300 0.048 0.000 1.097 434 V CB -0.453 31.393 31.823 0.039 0.000 0.947 434 V HN 0.359 nan 8.190 nan 0.000 0.479 435 L N 5.277 126.536 121.223 0.060 0.000 2.453 435 L HA 0.184 4.524 4.340 0.001 0.000 0.272 435 L C 1.555 178.452 176.870 0.045 0.000 1.182 435 L CA 0.217 55.089 54.840 0.053 0.000 0.858 435 L CB 0.853 42.948 42.059 0.060 0.000 1.120 435 L HN 0.901 nan 8.230 nan 0.000 0.474 436 T N -3.235 111.339 114.554 0.033 0.000 3.014 436 T HA 0.168 4.518 4.350 0.001 0.000 0.250 436 T C 0.377 175.089 174.700 0.019 0.000 1.060 436 T CA -0.151 61.964 62.100 0.025 0.000 1.040 436 T CB 0.329 69.208 68.868 0.019 0.000 0.971 436 T HN 0.465 nan 8.240 nan 0.000 0.497 437 D N 2.321 122.732 120.400 0.019 0.000 2.671 437 D HA 0.389 5.029 4.640 0.001 0.000 0.232 437 D C -2.853 173.454 176.300 0.012 0.000 1.114 437 D CA -1.603 52.404 54.000 0.012 0.000 0.858 437 D CB 2.626 43.432 40.800 0.010 0.000 1.544 437 D HN 0.097 nan 8.370 nan 0.000 0.471 438 P HA 0.120 nan 4.420 nan 0.000 0.271 438 P C -0.586 176.724 177.300 0.015 0.000 1.216 438 P CA -0.302 62.795 63.100 -0.005 0.000 0.776 438 P CB 1.042 32.723 31.700 -0.032 0.000 0.881 439 V N 3.205 123.148 119.914 0.047 0.000 2.376 439 V HA 0.250 4.371 4.120 0.001 0.000 0.287 439 V C 0.360 176.517 176.094 0.106 0.000 1.015 439 V CA -0.546 61.790 62.300 0.059 0.000 0.834 439 V CB 1.286 33.123 31.823 0.023 0.000 1.001 439 V HN 0.576 nan 8.190 nan 0.000 0.428 440 E N 3.759 123.982 120.200 0.039 0.000 2.200 440 E HA 0.542 4.892 4.350 0.001 0.000 0.283 440 E C -1.395 175.206 176.600 0.003 0.000 1.015 440 E CA -0.414 55.992 56.400 0.010 0.000 0.819 440 E CB 1.775 31.449 29.700 -0.044 0.000 1.081 440 E HN 0.482 nan 8.360 nan 0.000 0.397 441 V N 4.763 124.686 119.914 0.015 0.000 2.325 441 V HA 0.279 4.399 4.120 0.001 0.000 0.280 441 V C -0.638 175.388 176.094 -0.114 0.000 1.016 441 V CA -0.479 61.807 62.300 -0.022 0.000 0.818 441 V CB 1.559 33.446 31.823 0.106 0.000 1.019 441 V HN 0.694 nan 8.190 nan 0.000 0.434 442 T N 3.685 118.159 114.554 -0.132 0.000 2.930 442 T HA 0.800 5.150 4.350 0.001 0.000 0.313 442 T C 0.248 174.858 174.700 -0.150 0.000 1.019 442 T CA 0.040 62.065 62.100 -0.125 0.000 1.004 442 T CB 1.415 70.244 68.868 -0.065 0.000 0.987 442 T HN 1.140 nan 8.240 nan 0.000 0.456 443 G N 2.047 110.808 108.800 -0.066 0.000 2.352 443 G HA2 0.366 4.327 3.960 0.001 0.000 0.283 443 G HA3 0.366 4.327 3.960 0.001 0.000 0.283 443 G C -0.498 174.468 174.900 0.111 0.000 1.308 443 G CA -0.374 44.590 45.100 -0.228 0.000 0.892 443 G HN 0.805 nan 8.290 nan 0.000 0.504 444 T N -1.448 113.184 114.554 0.130 0.000 2.884 444 T HA 0.583 4.933 4.350 0.001 0.000 0.298 444 T C 0.042 174.847 174.700 0.175 0.000 0.998 444 T CA -0.346 61.892 62.100 0.231 0.000 1.124 444 T CB 1.551 70.551 68.868 0.220 0.000 0.931 444 T HN 1.183 nan 8.240 nan 0.000 0.531 445 V N 3.078 123.073 119.914 0.134 0.000 2.555 445 V HA 0.809 4.929 4.120 0.001 0.000 0.302 445 V C 0.140 176.278 176.094 0.073 0.000 1.038 445 V CA -0.715 61.640 62.300 0.092 0.000 0.887 445 V CB 1.674 33.532 31.823 0.058 0.000 0.991 445 V HN 1.325 nan 8.190 nan 0.000 0.434 446 S N 2.651 118.384 115.700 0.054 0.000 2.607 446 S HA 0.965 5.435 4.470 0.001 0.000 0.273 446 S C -0.832 173.763 174.600 -0.009 0.000 1.148 446 S CA -0.282 57.930 58.200 0.020 0.000 0.833 446 S CB 2.207 65.410 63.200 0.006 0.000 1.130 446 S HN 1.569 nan 8.310 nan 0.000 0.470 447 A N 1.204 123.995 122.820 -0.048 0.000 2.435 447 A HA 0.907 5.228 4.320 0.001 0.000 0.304 447 A C -0.953 176.516 177.584 -0.191 0.000 1.064 447 A CA -0.948 51.023 52.037 -0.111 0.000 0.727 447 A CB 1.358 20.318 19.000 -0.067 0.000 1.284 447 A HN 0.666 nan 8.150 nan 0.000 0.415 448 R N 1.851 122.131 120.500 -0.367 0.000 2.422 448 R HA 0.494 4.834 4.340 0.001 0.000 0.307 448 R C -1.562 174.539 176.300 -0.333 0.000 1.004 448 R CA -0.193 55.666 56.100 -0.402 0.000 0.882 448 R CB 0.828 30.798 30.300 -0.550 0.000 1.164 448 R HN 0.676 nan 8.270 nan 0.000 0.489 449 L N 3.021 124.098 121.223 -0.244 0.000 2.346 449 L HA 0.577 4.917 4.340 0.001 0.000 0.274 449 L C -0.446 176.306 176.870 -0.196 0.000 1.007 449 L CA -0.956 53.803 54.840 -0.134 0.000 0.818 449 L CB 1.394 43.374 42.059 -0.132 0.000 1.284 449 L HN 0.294 nan 8.230 nan 0.000 0.424 450 F N 2.756 122.687 119.950 -0.031 0.000 2.371 450 F HA 0.461 4.989 4.527 0.001 0.000 0.363 450 F C 0.333 176.134 175.800 0.002 0.000 1.122 450 F CA -0.594 57.419 58.000 0.022 0.000 1.129 450 F CB 1.449 40.526 39.000 0.128 0.000 1.173 450 F HN 0.135 nan 8.300 nan 0.000 0.489 451 V N 0.370 120.306 119.914 0.037 0.000 3.074 451 V HA 0.973 5.093 4.120 0.001 0.000 0.314 451 V C -0.552 175.612 176.094 0.118 0.000 1.117 451 V CA -0.890 61.352 62.300 -0.097 0.000 1.014 451 V CB 1.801 33.127 31.823 -0.827 0.000 1.057 451 V HN 0.664 nan 8.190 nan 0.000 0.438 452 S N 0.810 116.621 115.700 0.184 0.000 2.556 452 S HA 0.847 5.317 4.470 0.001 0.000 0.271 452 S C -0.733 174.033 174.600 0.276 0.000 1.135 452 S CA -0.174 58.187 58.200 0.268 0.000 0.858 452 S CB 1.609 64.983 63.200 0.291 0.000 1.114 452 S HN 1.811 nan 8.310 nan 0.000 0.468 453 S N 0.051 115.898 115.700 0.245 0.000 2.588 453 S HA 0.653 5.124 4.470 0.001 0.000 0.275 453 S C 0.683 175.352 174.600 0.116 0.000 1.130 453 S CA -0.007 58.303 58.200 0.183 0.000 0.855 453 S CB 1.600 64.917 63.200 0.195 0.000 1.116 453 S HN 1.400 nan 8.310 nan 0.000 0.472 454 S N 1.466 117.207 115.700 0.069 0.000 2.528 454 S HA 0.461 4.931 4.470 0.001 0.000 0.219 454 S C 0.708 175.331 174.600 0.039 0.000 0.985 454 S CA 0.216 58.444 58.200 0.046 0.000 0.914 454 S CB -0.163 63.050 63.200 0.022 0.000 0.776 454 S HN 0.971 nan 8.310 nan 0.000 0.526 455 A N 1.391 124.236 122.820 0.041 0.000 2.269 455 A HA 0.694 5.015 4.320 0.001 0.000 0.327 455 A C 1.022 178.625 177.584 0.031 0.000 1.112 455 A CA -0.269 51.783 52.037 0.026 0.000 0.865 455 A CB 1.005 20.014 19.000 0.015 0.000 1.227 455 A HN 0.806 nan 8.150 nan 0.000 0.498 456 V N -2.290 117.631 119.914 0.011 0.000 3.623 456 V HA 0.309 4.430 4.120 0.001 0.000 0.271 456 V C 0.059 176.134 176.094 -0.031 0.000 1.248 456 V CA 1.310 63.609 62.300 -0.002 0.000 1.156 456 V CB -1.165 30.654 31.823 -0.007 0.000 0.870 456 V HN 0.793 nan 8.190 nan 0.000 0.453 457 D N -1.878 118.508 120.400 -0.023 0.000 2.722 457 D HA 0.570 5.210 4.640 0.001 0.000 0.231 457 D C -0.798 175.493 176.300 -0.014 0.000 1.218 457 D CA 0.375 54.351 54.000 -0.040 0.000 0.753 457 D CB 2.099 42.864 40.800 -0.059 0.000 1.471 457 D HN 0.187 nan 8.370 nan 0.000 0.455 458 T N 0.921 115.455 114.554 -0.033 0.000 2.677 458 T HA 0.445 4.796 4.350 0.001 0.000 0.305 458 T C -1.950 172.650 174.700 -0.167 0.000 1.569 458 T CA -0.546 61.509 62.100 -0.074 0.000 0.984 458 T CB 1.058 69.852 68.868 -0.123 0.000 1.629 458 T HN 0.279 nan 8.240 nan 0.000 0.494 459 D N 0.066 120.264 120.400 -0.336 0.000 2.350 459 D HA 0.722 5.362 4.640 0.001 0.000 0.238 459 D C -1.241 174.665 176.300 -0.657 0.000 0.989 459 D CA -0.018 53.785 54.000 -0.327 0.000 0.921 459 D CB 1.193 41.841 40.800 -0.253 0.000 1.297 459 D HN 0.322 nan 8.370 nan 0.000 0.490 460 F N 0.196 120.126 119.950 -0.033 0.000 2.557 460 F HA 0.336 4.863 4.527 0.000 0.000 0.316 460 F C 0.368 176.161 175.800 -0.011 0.000 1.141 460 F CA -0.700 57.306 58.000 0.010 0.000 0.922 460 F CB 2.033 41.056 39.000 0.038 0.000 1.194 460 F HN 0.067 nan 8.300 nan 0.000 0.443 461 T N 0.201 114.851 114.554 0.160 0.000 2.912 461 T HA 0.949 5.299 4.350 0.001 0.000 0.288 461 T C -0.770 174.012 174.700 0.137 0.000 1.030 461 T CA -0.909 61.254 62.100 0.106 0.000 1.020 461 T CB 2.049 70.960 68.868 0.073 0.000 1.056 461 T HN 0.872 nan 8.240 nan 0.000 0.480 462 A N 1.756 124.643 122.820 0.112 0.000 2.427 462 A HA 0.760 5.081 4.320 0.001 0.000 0.298 462 A C -0.698 176.953 177.584 0.111 0.000 1.036 462 A CA -0.935 51.168 52.037 0.110 0.000 0.701 462 A CB 1.533 20.581 19.000 0.080 0.000 1.250 462 A HN 0.934 nan 8.150 nan 0.000 0.412 463 K N 2.556 123.029 120.400 0.122 0.000 2.471 463 K HA 0.554 4.874 4.320 0.001 0.000 0.252 463 K C -1.759 174.921 176.600 0.133 0.000 0.938 463 K CA -0.712 55.653 56.287 0.130 0.000 0.796 463 K CB 1.548 34.132 32.500 0.139 0.000 1.161 463 K HN 0.628 nan 8.250 nan 0.000 0.425 464 L N 5.003 126.305 121.223 0.131 0.000 2.305 464 L HA 0.428 4.769 4.340 0.001 0.000 0.281 464 L C -1.309 175.679 176.870 0.196 0.000 1.085 464 L CA -0.058 54.868 54.840 0.144 0.000 0.813 464 L CB 1.430 43.564 42.059 0.125 0.000 1.157 464 L HN 0.390 nan 8.230 nan 0.000 0.436 465 V N 3.843 123.898 119.914 0.235 0.000 2.789 465 V HA 0.410 4.530 4.120 0.001 0.000 0.311 465 V C -1.061 175.269 176.094 0.394 0.000 1.073 465 V CA -0.847 61.616 62.300 0.271 0.000 0.921 465 V CB 2.020 33.985 31.823 0.236 0.000 1.009 465 V HN 0.704 nan 8.190 nan 0.000 0.426 466 D N 2.786 123.417 120.400 0.384 0.000 2.392 466 D HA 0.377 5.018 4.640 0.001 0.000 0.228 466 D C -0.684 175.895 176.300 0.464 0.000 1.074 466 D CA -0.127 54.148 54.000 0.458 0.000 0.838 466 D CB 1.769 42.695 40.800 0.210 0.000 1.067 466 D HN 0.244 nan 8.370 nan 0.000 0.511 467 V N 5.276 125.420 119.914 0.384 0.000 2.408 467 V HA 0.243 4.364 4.120 0.001 0.000 0.267 467 V C 0.425 176.631 176.094 0.187 0.000 1.047 467 V CA -0.563 61.915 62.300 0.297 0.000 0.937 467 V CB 0.033 31.975 31.823 0.199 0.000 0.999 467 V HN 0.350 nan 8.190 nan 0.000 0.472 468 F N 6.544 126.435 119.950 -0.099 0.000 2.380 468 F HA 0.356 4.884 4.527 0.000 0.000 0.325 468 F C -0.989 174.652 175.800 -0.265 0.000 1.136 468 F CA -1.820 55.962 58.000 -0.364 0.000 1.171 468 F CB 0.708 39.590 39.000 -0.197 0.000 1.230 468 F HN 0.353 nan 8.300 nan 0.000 0.554 469 P HA -0.158 nan 4.420 nan 0.000 0.218 469 P C 0.609 177.916 177.300 0.011 0.000 1.148 469 P CA 1.490 64.547 63.100 -0.071 0.000 0.822 469 P CB -0.024 31.629 31.700 -0.080 0.000 0.784 470 D N -2.590 117.841 120.400 0.051 0.000 2.363 470 D HA 0.076 4.717 4.640 0.001 0.000 0.220 470 D C 1.469 177.788 176.300 0.031 0.000 0.994 470 D CA 0.976 55.000 54.000 0.041 0.000 0.890 470 D CB -0.593 40.231 40.800 0.040 0.000 0.906 470 D HN 0.222 nan 8.370 nan 0.000 0.530 471 G N -0.148 108.683 108.800 0.053 0.000 2.352 471 G HA2 -0.263 3.697 3.960 0.001 0.000 0.204 471 G HA3 -0.263 3.697 3.960 0.001 0.000 0.204 471 G C 0.286 175.214 174.900 0.047 0.000 1.004 471 G CA -0.386 44.743 45.100 0.048 0.000 0.648 471 G HN 0.314 nan 8.290 nan 0.000 0.491 472 R N 1.278 121.780 120.500 0.003 0.000 2.504 472 R HA 0.423 4.763 4.340 0.001 0.000 0.291 472 R C 0.456 176.777 176.300 0.035 0.000 0.974 472 R CA 0.782 56.833 56.100 -0.082 0.000 1.077 472 R CB 0.517 30.621 30.300 -0.326 0.000 0.926 472 R HN 0.583 nan 8.270 nan 0.000 0.407 473 A N 6.097 128.926 122.820 0.016 0.000 2.654 473 A HA 0.265 4.586 4.320 0.001 0.000 0.345 473 A C -0.154 177.472 177.584 0.070 0.000 1.368 473 A CA -0.689 51.420 52.037 0.120 0.000 0.895 473 A CB 0.286 19.379 19.000 0.156 0.000 1.143 473 A HN 0.494 nan 8.150 nan 0.000 0.490 474 I N 2.408 123.047 120.570 0.116 0.000 2.396 474 I HA 0.241 4.411 4.170 0.001 0.000 0.289 474 I C 1.078 177.292 176.117 0.162 0.000 1.056 474 I CA -0.071 61.275 61.300 0.076 0.000 1.365 474 I CB 0.476 38.507 38.000 0.050 0.000 1.407 474 I HN 0.636 nan 8.210 nan 0.000 0.509 475 A N 7.118 130.018 122.820 0.134 0.000 2.462 475 A HA 0.423 4.743 4.320 0.001 0.000 0.243 475 A C 0.818 178.601 177.584 0.332 0.000 1.076 475 A CA 0.027 52.185 52.037 0.202 0.000 0.773 475 A CB 0.547 19.649 19.000 0.169 0.000 1.010 475 A HN 0.838 nan 8.150 nan 0.000 0.493 476 L N 1.183 122.578 121.223 0.287 0.000 2.670 476 L HA 0.217 4.558 4.340 0.001 0.000 0.177 476 L C 0.563 177.497 176.870 0.105 0.000 1.181 476 L CA 0.593 55.566 54.840 0.222 0.000 0.856 476 L CB 0.206 42.316 42.059 0.085 0.000 1.205 476 L HN 0.952 nan 8.230 nan 0.000 0.506 477 C N -1.373 117.987 119.300 0.100 0.000 3.086 477 C HA 0.757 5.217 4.460 0.001 0.000 0.311 477 C C -1.529 173.531 174.990 0.117 0.000 1.260 477 C CA -0.857 58.209 59.018 0.081 0.000 1.426 477 C CB 1.610 29.369 27.740 0.031 0.000 1.826 477 C HN 0.557 nan 8.230 nan 0.000 0.474 478 D N 0.460 120.937 120.400 0.128 0.000 2.596 478 D HA 0.709 5.349 4.640 0.001 0.000 0.262 478 D C -0.559 175.830 176.300 0.147 0.000 1.210 478 D CA -0.093 53.991 54.000 0.141 0.000 0.873 478 D CB 1.801 42.701 40.800 0.167 0.000 1.408 478 D HN 1.306 nan 8.370 nan 0.000 0.441 479 G N -0.671 108.209 108.800 0.132 0.000 2.645 479 G HA2 0.594 4.554 3.960 0.001 0.000 0.292 479 G HA3 0.594 4.554 3.960 0.001 0.000 0.292 479 G C -1.802 173.106 174.900 0.013 0.000 1.415 479 G CA -0.780 44.371 45.100 0.085 0.000 0.785 479 G HN 0.644 nan 8.290 nan 0.000 0.483 480 I N -0.773 119.713 120.570 -0.140 0.000 2.913 480 I HA 0.727 4.898 4.170 0.001 0.000 0.302 480 I C -1.554 174.474 176.117 -0.149 0.000 1.246 480 I CA -1.205 59.971 61.300 -0.205 0.000 1.010 480 I CB 2.417 40.083 38.000 -0.557 0.000 1.259 480 I HN 0.529 nan 8.210 nan 0.000 0.434 481 V N 6.855 126.738 119.914 -0.051 0.000 2.524 481 V HA 0.535 4.655 4.120 0.001 0.000 0.297 481 V C -0.754 175.363 176.094 0.039 0.000 1.035 481 V CA -0.514 61.792 62.300 0.009 0.000 0.867 481 V CB 1.757 33.611 31.823 0.051 0.000 1.004 481 V HN 0.804 nan 8.190 nan 0.000 0.426 482 R N 6.565 127.105 120.500 0.068 0.000 2.216 482 R HA 0.330 4.670 4.340 0.001 0.000 0.332 482 R C 1.280 177.625 176.300 0.074 0.000 1.056 482 R CA -0.557 55.599 56.100 0.094 0.000 0.901 482 R CB 0.944 31.388 30.300 0.240 0.000 1.039 482 R HN 0.773 nan 8.270 nan 0.000 0.456 483 M N 3.925 123.536 119.600 0.018 0.000 2.143 483 M HA -0.257 4.224 4.480 0.001 0.000 0.258 483 M C 1.803 178.024 176.300 -0.132 0.000 1.071 483 M CA 1.910 57.189 55.300 -0.034 0.000 1.088 483 M CB -0.862 31.721 32.600 -0.028 0.000 1.360 483 M HN 0.652 nan 8.290 nan 0.000 0.404 484 R N -0.757 119.613 120.500 -0.216 0.000 2.189 484 R HA -0.148 4.192 4.340 0.001 0.000 0.223 484 R C 0.637 176.712 176.300 -0.375 0.000 1.092 484 R CA 1.287 57.175 56.100 -0.354 0.000 0.989 484 R CB -0.571 29.431 30.300 -0.496 0.000 0.876 484 R HN 0.311 nan 8.270 nan 0.000 0.457 485 Y N 1.800 122.083 120.300 -0.029 0.000 2.658 485 Y HA 0.291 4.841 4.550 0.001 0.000 0.276 485 Y C 1.712 177.591 175.900 -0.035 0.000 1.167 485 Y CA -1.027 57.057 58.100 -0.026 0.000 1.230 485 Y CB 0.089 38.547 38.460 -0.003 0.000 1.144 485 Y HN 0.100 nan 8.280 nan 0.000 0.529 486 R N 0.181 120.712 120.500 0.051 0.000 2.105 486 R HA -0.161 4.180 4.340 0.001 0.000 0.239 486 R C 0.894 177.202 176.300 0.013 0.000 1.135 486 R CA 2.129 58.238 56.100 0.015 0.000 0.967 486 R CB -0.254 30.020 30.300 -0.044 0.000 0.861 486 R HN 0.364 nan 8.270 nan 0.000 0.442 487 E N 0.012 120.222 120.200 0.016 0.000 2.290 487 E HA 0.050 4.400 4.350 0.001 0.000 0.197 487 E C 0.076 176.689 176.600 0.021 0.000 0.948 487 E CA 0.702 57.110 56.400 0.013 0.000 0.895 487 E CB 0.930 30.635 29.700 0.009 0.000 0.865 487 E HN 0.231 nan 8.360 nan 0.000 0.486 488 T N -0.953 113.630 114.554 0.048 0.000 2.982 488 T HA 0.290 4.640 4.350 0.001 0.000 0.321 488 T C -0.100 174.668 174.700 0.113 0.000 1.229 488 T CA -0.594 61.533 62.100 0.045 0.000 1.044 488 T CB 1.116 69.999 68.868 0.025 0.000 1.184 488 T HN -0.022 nan 8.240 nan 0.000 0.477 489 L N 3.694 124.918 121.223 0.001 0.000 2.509 489 L HA 0.146 4.487 4.340 0.001 0.000 0.222 489 L C 2.047 178.827 176.870 -0.150 0.000 1.123 489 L CA 0.316 55.072 54.840 -0.140 0.000 0.856 489 L CB -0.033 41.830 42.059 -0.328 0.000 0.985 489 L HN 0.528 nan 8.230 nan 0.000 0.456 490 V N -1.521 118.354 119.914 -0.065 0.000 2.492 490 V HA 0.027 4.148 4.120 0.001 0.000 0.241 490 V C 0.596 176.714 176.094 0.039 0.000 1.041 490 V CA 0.852 63.122 62.300 -0.050 0.000 1.057 490 V CB -0.192 31.595 31.823 -0.060 0.000 0.711 490 V HN 0.408 nan 8.190 nan 0.000 0.468 491 N N 1.679 120.411 118.700 0.053 0.000 2.898 491 N HA 0.315 5.056 4.740 0.001 0.000 0.245 491 N C -2.786 172.747 175.510 0.039 0.000 1.185 491 N CA -0.895 52.182 53.050 0.045 0.000 0.879 491 N CB 1.231 39.730 38.487 0.020 0.000 1.157 491 N HN 0.364 nan 8.380 nan 0.000 0.503 492 P HA 0.099 nan 4.420 nan 0.000 0.271 492 P C -0.233 177.006 177.300 -0.101 0.000 1.218 492 P CA 0.078 63.118 63.100 -0.101 0.000 0.780 492 P CB 0.922 32.434 31.700 -0.313 0.000 0.901 493 T N -0.237 114.244 114.554 -0.122 0.000 2.909 493 T HA 0.585 4.936 4.350 0.001 0.000 0.299 493 T C 0.064 174.689 174.700 -0.125 0.000 1.073 493 T CA -0.931 61.114 62.100 -0.091 0.000 0.999 493 T CB 0.830 69.668 68.868 -0.050 0.000 1.098 493 T HN 0.157 nan 8.240 nan 0.000 0.477 494 L N 2.247 123.412 121.223 -0.096 0.000 2.468 494 L HA 0.623 4.963 4.340 0.001 0.000 0.254 494 L C 0.588 177.396 176.870 -0.103 0.000 1.171 494 L CA -1.280 53.499 54.840 -0.102 0.000 0.809 494 L CB 0.598 42.618 42.059 -0.065 0.000 1.155 494 L HN 0.730 nan 8.230 nan 0.000 0.473 495 I N -2.305 118.190 120.570 -0.125 0.000 2.793 495 I HA 0.459 4.629 4.170 0.001 0.000 0.313 495 I C -0.535 175.615 176.117 0.055 0.000 0.998 495 I CA -0.757 60.461 61.300 -0.137 0.000 1.140 495 I CB 1.470 39.225 38.000 -0.409 0.000 1.327 495 I HN 0.513 nan 8.210 nan 0.000 0.491 496 E N 2.664 123.000 120.200 0.226 0.000 2.216 496 E HA 0.499 4.850 4.350 0.001 0.000 0.279 496 E C -0.466 176.248 176.600 0.190 0.000 0.997 496 E CA -1.005 55.503 56.400 0.181 0.000 0.817 496 E CB 1.803 31.604 29.700 0.167 0.000 1.096 496 E HN 0.785 nan 8.360 nan 0.000 0.393 497 A N 2.077 124.966 122.820 0.115 0.000 2.524 497 A HA 0.392 4.712 4.320 0.001 0.000 0.250 497 A C 1.274 178.915 177.584 0.096 0.000 1.078 497 A CA 0.800 52.897 52.037 0.101 0.000 0.761 497 A CB -0.450 18.588 19.000 0.063 0.000 1.012 497 A HN 0.869 nan 8.150 nan 0.000 0.500 498 G N 1.313 110.178 108.800 0.109 0.000 2.253 498 G HA2 -0.252 3.708 3.960 0.001 0.000 0.251 498 G HA3 -0.252 3.708 3.960 0.001 0.000 0.251 498 G C 0.289 175.225 174.900 0.061 0.000 0.998 498 G CA 0.548 45.699 45.100 0.085 0.000 0.621 498 G HN 1.032 nan 8.290 nan 0.000 0.524 499 E N 0.558 120.797 120.200 0.065 0.000 2.354 499 E HA 0.484 4.835 4.350 0.001 0.000 0.269 499 E C 0.422 176.941 176.600 -0.136 0.000 1.036 499 E CA -0.669 55.684 56.400 -0.078 0.000 0.876 499 E CB 0.294 29.903 29.700 -0.151 0.000 1.009 499 E HN 0.383 nan 8.360 nan 0.000 0.416 500 I N 4.724 125.139 120.570 -0.259 0.000 2.371 500 I HA 0.146 4.317 4.170 0.001 0.000 0.290 500 I C -0.736 175.196 176.117 -0.308 0.000 1.028 500 I CA -0.295 60.882 61.300 -0.205 0.000 1.345 500 I CB 0.309 38.153 38.000 -0.260 0.000 1.407 500 I HN 0.458 nan 8.210 nan 0.000 0.501 501 Y N 3.914 124.211 120.300 -0.005 0.000 2.446 501 Y HA 0.345 4.895 4.550 0.000 0.000 0.345 501 Y C 0.125 175.915 175.900 -0.182 0.000 0.984 501 Y CA -0.852 57.215 58.100 -0.056 0.000 1.058 501 Y CB 1.669 40.099 38.460 -0.050 0.000 1.220 501 Y HN 0.481 nan 8.280 nan 0.000 0.455 502 E N 3.349 123.450 120.200 -0.164 0.000 2.081 502 E HA 0.504 4.855 4.350 0.001 0.000 0.281 502 E C -1.384 175.049 176.600 -0.277 0.000 0.986 502 E CA -0.652 55.413 56.400 -0.557 0.000 0.796 502 E CB 0.792 30.002 29.700 -0.816 0.000 1.085 502 E HN 0.538 nan 8.360 nan 0.000 0.398 503 V N 1.074 120.834 119.914 -0.257 0.000 2.815 503 V HA 0.900 5.021 4.120 0.001 0.000 0.314 503 V C -0.284 175.718 176.094 -0.153 0.000 1.064 503 V CA -0.934 61.278 62.300 -0.147 0.000 0.952 503 V CB 1.513 33.286 31.823 -0.083 0.000 1.020 503 V HN 0.669 nan 8.190 nan 0.000 0.439 504 A N 4.470 127.231 122.820 -0.099 0.000 2.305 504 A HA 0.880 5.200 4.320 0.001 0.000 0.322 504 A C -0.468 177.085 177.584 -0.051 0.000 1.187 504 A CA -0.697 51.288 52.037 -0.087 0.000 0.825 504 A CB 0.527 19.485 19.000 -0.070 0.000 1.164 504 A HN 0.903 nan 8.150 nan 0.000 0.498 505 I N 2.234 122.777 120.570 -0.046 0.000 2.410 505 I HA 0.195 4.366 4.170 0.001 0.000 0.286 505 I C -0.811 175.299 176.117 -0.012 0.000 1.009 505 I CA -0.613 60.675 61.300 -0.019 0.000 1.111 505 I CB 1.836 39.838 38.000 0.003 0.000 1.262 505 I HN 0.603 nan 8.210 nan 0.000 0.443 506 D N 7.651 128.045 120.400 -0.010 0.000 2.336 506 D HA 0.239 4.879 4.640 0.001 0.000 0.249 506 D C 0.137 176.454 176.300 0.028 0.000 1.213 506 D CA -0.022 53.981 54.000 0.006 0.000 0.870 506 D CB 1.088 41.885 40.800 -0.005 0.000 1.076 506 D HN 0.446 nan 8.370 nan 0.000 0.483 507 M N 4.729 124.357 119.600 0.047 0.000 2.637 507 M HA 0.164 4.645 4.480 0.001 0.000 0.286 507 M C 0.930 177.281 176.300 0.086 0.000 1.246 507 M CA -0.348 54.993 55.300 0.068 0.000 0.978 507 M CB 0.013 32.651 32.600 0.063 0.000 1.417 507 M HN 0.400 nan 8.290 nan 0.000 0.487 508 L N -0.748 120.530 121.223 0.091 0.000 5.712 508 L HA -0.369 3.972 4.340 0.001 0.000 0.053 508 L C 0.291 177.265 176.870 0.173 0.000 2.787 508 L CA 1.314 56.227 54.840 0.121 0.000 1.527 508 L CB -1.572 40.554 42.059 0.112 0.000 2.908 508 L HN 0.470 nan 8.230 nan 0.000 0.994 509 A N -1.512 121.426 122.820 0.197 0.000 2.610 509 A HA 0.796 5.116 4.320 0.001 0.000 0.291 509 A C -0.710 176.934 177.584 0.099 0.000 1.086 509 A CA 0.512 52.702 52.037 0.255 0.000 0.677 509 A CB 2.159 21.483 19.000 0.539 0.000 1.278 509 A HN 0.597 nan 8.150 nan 0.000 0.414 510 T N -0.697 113.756 114.554 -0.169 0.000 2.769 510 T HA 0.677 5.027 4.350 0.001 0.000 0.306 510 T C -1.615 172.441 174.700 -1.073 0.000 1.400 510 T CA 0.299 61.947 62.100 -0.754 0.000 1.007 510 T CB 1.588 70.198 68.868 -0.429 0.000 1.392 510 T HN 1.721 nan 8.240 nan 0.000 0.500 511 S N 2.013 116.861 115.700 -1.421 0.000 2.721 511 S HA 0.647 5.117 4.470 0.001 0.000 0.264 511 S C -1.507 172.713 174.600 -0.634 0.000 1.161 511 S CA -0.628 57.053 58.200 -0.865 0.000 1.113 511 S CB 0.041 62.802 63.200 -0.732 0.000 1.079 511 S HN 0.725 nan 8.310 nan 0.000 0.479 512 N N 2.644 121.084 118.700 -0.434 0.000 2.324 512 N HA 0.488 5.228 4.740 0.001 0.000 0.285 512 N C -1.717 173.576 175.510 -0.361 0.000 1.076 512 N CA -0.428 52.358 53.050 -0.440 0.000 0.864 512 N CB 1.904 40.027 38.487 -0.607 0.000 1.632 512 N HN 0.276 nan 8.380 nan 0.000 0.478 513 V N 3.788 123.498 119.914 -0.339 0.000 2.350 513 V HA 0.426 4.546 4.120 0.001 0.000 0.276 513 V C -0.554 175.347 176.094 -0.322 0.000 1.028 513 V CA -0.440 61.730 62.300 -0.218 0.000 0.860 513 V CB 0.048 31.761 31.823 -0.183 0.000 0.990 513 V HN 0.545 nan 8.190 nan 0.000 0.453 514 F N 5.677 125.494 119.950 -0.223 0.000 2.439 514 F HA 0.390 4.917 4.527 0.000 0.000 0.356 514 F C 0.577 176.187 175.800 -0.316 0.000 1.161 514 F CA -0.174 57.659 58.000 -0.278 0.000 1.151 514 F CB 0.228 39.139 39.000 -0.149 0.000 1.222 514 F HN 0.269 nan 8.300 nan 0.000 0.558 515 L N 5.052 126.001 121.223 -0.457 0.000 2.472 515 L HA 0.257 4.597 4.340 0.001 0.000 0.260 515 L C -2.013 174.793 176.870 -0.107 0.000 1.209 515 L CA -1.959 52.681 54.840 -0.333 0.000 0.817 515 L CB 0.227 42.004 42.059 -0.470 0.000 1.106 515 L HN 0.281 nan 8.230 nan 0.000 0.479 516 P HA 0.055 nan 4.420 nan 0.000 0.265 516 P C 0.537 177.912 177.300 0.124 0.000 1.193 516 P CA 0.867 63.997 63.100 0.049 0.000 0.765 516 P CB 0.749 32.464 31.700 0.026 0.000 0.823 517 G N 0.956 109.826 108.800 0.116 0.000 2.232 517 G HA2 -0.178 3.783 3.960 0.001 0.000 0.226 517 G HA3 -0.178 3.783 3.960 0.001 0.000 0.226 517 G C 0.216 175.162 174.900 0.077 0.000 0.996 517 G CA -0.346 44.809 45.100 0.091 0.000 0.626 517 G HN 0.631 nan 8.290 nan 0.000 0.509 518 H N 0.218 119.270 119.070 -0.030 0.000 2.523 518 H HA 0.699 5.255 4.556 0.001 0.000 0.345 518 H C 0.321 175.679 175.328 0.050 0.000 1.261 518 H CA -0.389 55.651 56.048 -0.012 0.000 1.343 518 H CB 1.015 30.742 29.762 -0.057 0.000 1.650 518 H HN 0.196 nan 8.280 nan 0.000 0.591 519 R N 0.610 121.241 120.500 0.220 0.000 2.744 519 R HA 0.425 4.765 4.340 0.001 0.000 0.279 519 R C -0.750 175.630 176.300 0.132 0.000 0.977 519 R CA -0.829 55.350 56.100 0.131 0.000 0.906 519 R CB 2.045 32.404 30.300 0.099 0.000 1.197 519 R HN 0.415 nan 8.270 nan 0.000 0.463 520 I N 2.904 123.423 120.570 -0.084 0.000 2.315 520 I HA 0.334 4.504 4.170 0.001 0.000 0.291 520 I C -0.016 176.064 176.117 -0.061 0.000 1.006 520 I CA -0.146 60.968 61.300 -0.310 0.000 1.265 520 I CB 1.250 38.804 38.000 -0.744 0.000 1.387 520 I HN 0.396 nan 8.210 nan 0.000 0.475 521 M N 6.973 126.606 119.600 0.055 0.000 2.530 521 M HA 0.643 5.124 4.480 0.001 0.000 0.307 521 M C -1.852 174.518 176.300 0.117 0.000 1.161 521 M CA -0.638 54.722 55.300 0.101 0.000 0.903 521 M CB 2.361 35.042 32.600 0.135 0.000 1.711 521 M HN 0.283 nan 8.290 nan 0.000 0.451 522 V N 3.789 123.792 119.914 0.149 0.000 2.588 522 V HA 0.425 4.545 4.120 0.001 0.000 0.304 522 V C -0.916 175.310 176.094 0.219 0.000 1.042 522 V CA -0.650 61.752 62.300 0.170 0.000 0.877 522 V CB 2.001 33.913 31.823 0.150 0.000 0.996 522 V HN 0.843 nan 8.190 nan 0.000 0.425 523 Q N 2.759 122.664 119.800 0.175 0.000 2.307 523 Q HA 0.699 5.039 4.340 0.001 0.000 0.262 523 Q C -1.262 174.834 176.000 0.161 0.000 0.961 523 Q CA -0.531 55.359 55.803 0.145 0.000 0.882 523 Q CB 2.587 31.397 28.738 0.120 0.000 1.264 523 Q HN 0.583 nan 8.270 nan 0.000 0.446 524 V N 1.643 121.660 119.914 0.172 0.000 2.540 524 V HA 0.641 4.761 4.120 0.001 0.000 0.302 524 V C -0.326 175.798 176.094 0.050 0.000 1.035 524 V CA -0.286 62.125 62.300 0.185 0.000 0.873 524 V CB 1.738 33.752 31.823 0.318 0.000 0.992 524 V HN 0.807 nan 8.190 nan 0.000 0.428 525 S N 2.555 118.290 115.700 0.059 0.000 2.929 525 S HA 0.555 5.025 4.470 0.001 0.000 0.311 525 S C 0.172 174.794 174.600 0.038 0.000 1.213 525 S CA 0.062 58.202 58.200 -0.101 0.000 0.908 525 S CB 2.106 65.230 63.200 -0.127 0.000 1.287 525 S HN 0.574 nan 8.310 nan 0.000 0.594 526 S N 0.664 116.293 115.700 -0.119 0.000 2.819 526 S HA 0.463 4.933 4.470 0.001 0.000 0.249 526 S C -0.874 173.320 174.600 -0.676 0.000 1.030 526 S CA 0.028 57.973 58.200 -0.426 0.000 1.052 526 S CB 0.374 63.263 63.200 -0.518 0.000 1.017 526 S HN 0.881 nan 8.310 nan 0.000 0.576 527 S N 1.317 116.811 115.700 -0.344 0.000 2.567 527 S HA 0.688 5.159 4.470 0.001 0.000 0.270 527 S C -1.482 173.139 174.600 0.036 0.000 1.152 527 S CA -0.824 57.268 58.200 -0.180 0.000 0.835 527 S CB 1.692 64.797 63.200 -0.160 0.000 1.115 527 S HN 0.038 nan 8.310 nan 0.000 0.459 528 N N 0.385 119.180 118.700 0.158 0.000 2.946 528 N HA 0.287 5.027 4.740 0.001 0.000 0.213 528 N C -2.126 173.518 175.510 0.224 0.000 1.440 528 N CA -0.293 52.874 53.050 0.194 0.000 0.745 528 N CB 0.442 39.074 38.487 0.241 0.000 1.471 528 N HN 0.650 nan 8.380 nan 0.000 0.569 529 F N 3.627 123.609 119.950 0.054 0.000 2.421 529 F HA 0.660 5.187 4.527 0.001 0.000 0.337 529 F C -1.592 174.184 175.800 -0.040 0.000 1.105 529 F CA -2.093 55.918 58.000 0.017 0.000 1.049 529 F CB 1.825 40.848 39.000 0.038 0.000 1.139 529 F HN 0.189 nan 8.300 nan 0.000 0.479 530 P HA 0.026 nan 4.420 nan 0.000 0.258 530 P C 0.587 177.609 177.300 -0.462 0.000 1.416 530 P CA 0.235 62.682 63.100 -1.088 0.000 0.927 530 P CB 0.405 31.313 31.700 -1.320 0.000 1.444 531 K N 0.594 120.807 120.400 -0.312 0.000 2.103 531 K HA -0.112 4.208 4.320 0.001 0.000 0.207 531 K C -0.069 176.141 176.600 -0.651 0.000 1.048 531 K CA 1.452 57.479 56.287 -0.433 0.000 0.930 531 K CB -0.489 31.753 32.500 -0.430 0.000 0.716 531 K HN 0.106 nan 8.250 nan 0.000 0.444 532 Y N 0.643 120.929 120.300 -0.023 0.000 2.512 532 Y HA 0.215 4.765 4.550 0.000 0.000 0.348 532 Y C -0.528 175.442 175.900 0.116 0.000 0.990 532 Y CA -2.219 55.887 58.100 0.010 0.000 1.033 532 Y CB 1.252 39.724 38.460 0.021 0.000 1.259 532 Y HN 0.086 nan 8.280 nan 0.000 0.461 533 D N 1.342 121.913 120.400 0.284 0.000 2.357 533 D HA 0.116 4.756 4.640 0.001 0.000 0.242 533 D C -0.500 175.982 176.300 0.303 0.000 1.153 533 D CA -0.458 53.740 54.000 0.330 0.000 0.918 533 D CB 0.789 41.713 40.800 0.208 0.000 1.181 533 D HN 0.497 nan 8.370 nan 0.000 0.435 534 R N 0.848 121.496 120.500 0.247 0.000 2.389 534 R HA 0.179 4.519 4.340 0.001 0.000 0.295 534 R C 0.234 176.633 176.300 0.165 0.000 1.075 534 R CA -0.418 55.783 56.100 0.168 0.000 1.005 534 R CB 0.168 30.471 30.300 0.005 0.000 0.987 534 R HN 0.511 nan 8.270 nan 0.000 0.452 535 N N 0.115 118.941 118.700 0.211 0.000 2.497 535 N HA -0.049 4.691 4.740 0.001 0.000 0.271 535 N C 0.854 176.467 175.510 0.172 0.000 1.142 535 N CA -0.227 52.926 53.050 0.172 0.000 0.965 535 N CB 0.831 39.400 38.487 0.138 0.000 1.077 535 N HN 0.592 nan 8.380 nan 0.000 0.462 536 S N 2.762 118.508 115.700 0.077 0.000 2.489 536 S HA -0.055 4.415 4.470 0.001 0.000 0.228 536 S C 0.373 174.967 174.600 -0.011 0.000 0.995 536 S CA 0.124 58.331 58.200 0.013 0.000 0.934 536 S CB -0.130 63.075 63.200 0.007 0.000 0.771 536 S HN 0.804 nan 8.310 nan 0.000 0.522 537 N N 0.972 119.688 118.700 0.027 0.000 2.741 537 N HA -0.138 4.602 4.740 0.001 0.000 0.250 537 N C 0.656 176.160 175.510 -0.010 0.000 1.115 537 N CA 1.491 54.548 53.050 0.012 0.000 0.724 537 N CB -2.146 36.331 38.487 -0.016 0.000 1.090 537 N HN 0.872 nan 8.380 nan 0.000 0.558 538 T N -5.753 108.796 114.554 -0.009 0.000 2.964 538 T HA 0.424 4.774 4.350 0.001 0.000 0.249 538 T C 1.386 176.076 174.700 -0.016 0.000 1.000 538 T CA 1.270 63.362 62.100 -0.014 0.000 0.992 538 T CB 0.859 69.718 68.868 -0.014 0.000 1.087 538 T HN 0.785 nan 8.240 nan 0.000 0.489 539 G N 0.913 109.702 108.800 -0.020 0.000 2.157 539 G HA2 -0.002 3.958 3.960 0.001 0.000 0.239 539 G HA3 -0.002 3.958 3.960 0.001 0.000 0.239 539 G C 0.503 175.386 174.900 -0.028 0.000 0.982 539 G CA 0.011 45.090 45.100 -0.034 0.000 0.650 539 G HN 1.007 nan 8.290 nan 0.000 0.527 540 G N -1.097 107.695 108.800 -0.013 0.000 2.531 540 G HA2 0.573 4.534 3.960 0.001 0.000 0.281 540 G HA3 0.573 4.534 3.960 0.001 0.000 0.281 540 G C 0.227 175.132 174.900 0.009 0.000 1.382 540 G CA 0.067 45.164 45.100 -0.005 0.000 1.045 540 G HN 0.894 nan 8.290 nan 0.000 0.533 541 V N 1.641 121.565 119.914 0.016 0.000 2.326 541 V HA 0.065 4.185 4.120 0.001 0.000 0.249 541 V C 1.625 177.745 176.094 0.044 0.000 1.114 541 V CA -0.054 62.267 62.300 0.035 0.000 1.028 541 V CB -0.121 31.717 31.823 0.026 0.000 1.170 541 V HN 0.595 nan 8.190 nan 0.000 0.494 542 I N 3.503 124.110 120.570 0.063 0.000 2.143 542 I HA -0.324 3.846 4.170 0.001 0.000 0.245 542 I C 2.456 178.611 176.117 0.064 0.000 1.068 542 I CA 2.193 63.533 61.300 0.067 0.000 1.326 542 I CB -0.253 37.806 38.000 0.098 0.000 1.028 542 I HN 0.662 nan 8.210 nan 0.000 0.412 543 A N -0.226 122.641 122.820 0.078 0.000 2.209 543 A HA -0.041 4.280 4.320 0.001 0.000 0.212 543 A C 2.064 179.673 177.584 0.041 0.000 1.158 543 A CA 0.916 52.992 52.037 0.066 0.000 0.742 543 A CB -0.238 18.811 19.000 0.081 0.000 0.790 543 A HN 0.273 nan 8.150 nan 0.000 0.472 544 R N 0.163 120.682 120.500 0.033 0.000 2.397 544 R HA 0.189 4.529 4.340 0.001 0.000 0.241 544 R C -0.446 175.861 176.300 0.012 0.000 0.914 544 R CA 0.091 56.202 56.100 0.018 0.000 1.071 544 R CB 0.227 30.535 30.300 0.013 0.000 1.116 544 R HN 0.620 nan 8.270 nan 0.000 0.524 545 E N 1.428 121.636 120.200 0.014 0.000 2.277 545 E HA 0.148 4.498 4.350 0.001 0.000 0.274 545 E C -0.107 176.492 176.600 -0.001 0.000 1.022 545 E CA -0.419 55.983 56.400 0.004 0.000 0.853 545 E CB 1.121 30.822 29.700 0.003 0.000 1.086 545 E HN -0.109 nan 8.360 nan 0.000 0.397 546 Q N 1.691 121.486 119.800 -0.008 0.000 2.260 546 Q HA 0.059 4.399 4.340 0.001 0.000 0.242 546 Q C 0.820 176.807 176.000 -0.023 0.000 0.932 546 Q CA -0.229 55.567 55.803 -0.012 0.000 0.891 546 Q CB 1.365 30.096 28.738 -0.012 0.000 1.222 546 Q HN 0.481 nan 8.270 nan 0.000 0.453 547 L N 2.201 123.406 121.223 -0.029 0.000 2.127 547 L HA -0.203 4.137 4.340 0.001 0.000 0.211 547 L C 1.739 178.581 176.870 -0.047 0.000 1.089 547 L CA 1.920 56.733 54.840 -0.046 0.000 0.757 547 L CB -0.135 41.894 42.059 -0.049 0.000 0.899 547 L HN 0.555 nan 8.230 nan 0.000 0.434 548 E N 0.066 120.245 120.200 -0.035 0.000 2.204 548 E HA -0.213 4.137 4.350 0.001 0.000 0.194 548 E C 1.806 178.386 176.600 -0.032 0.000 0.989 548 E CA 1.239 57.620 56.400 -0.032 0.000 0.824 548 E CB -0.121 29.565 29.700 -0.024 0.000 0.756 548 E HN 0.827 nan 8.360 nan 0.000 0.477 549 E N -0.164 120.018 120.200 -0.029 0.000 2.479 549 E HA 0.068 4.418 4.350 0.001 0.000 0.193 549 E C 0.665 177.245 176.600 -0.034 0.000 1.049 549 E CA -0.107 56.276 56.400 -0.027 0.000 0.870 549 E CB 0.077 29.766 29.700 -0.019 0.000 0.944 549 E HN 0.082 nan 8.360 nan 0.000 0.492 550 M N 1.209 120.781 119.600 -0.046 0.000 2.255 550 M HA 0.263 4.743 4.480 0.001 0.000 0.336 550 M C -0.450 175.805 176.300 -0.076 0.000 1.135 550 M CA -0.603 54.660 55.300 -0.060 0.000 1.145 550 M CB 1.218 33.772 32.600 -0.077 0.000 1.473 550 M HN 0.116 nan 8.290 nan 0.000 0.462 551 C N 0.319 119.567 119.300 -0.086 0.000 2.562 551 C HA 0.699 5.159 4.460 0.001 0.000 0.332 551 C C 0.594 175.495 174.990 -0.149 0.000 1.201 551 C CA -0.831 58.132 59.018 -0.093 0.000 1.803 551 C CB 1.644 29.347 27.740 -0.061 0.000 2.328 551 C HN 0.884 nan 8.230 nan 0.000 0.500 552 T N -0.140 114.332 114.554 -0.137 0.000 2.922 552 T HA 0.718 5.069 4.350 0.001 0.000 0.285 552 T C -0.414 174.218 174.700 -0.113 0.000 1.005 552 T CA -0.359 61.635 62.100 -0.177 0.000 1.061 552 T CB 1.297 70.091 68.868 -0.124 0.000 1.007 552 T HN 1.142 nan 8.240 nan 0.000 0.502 553 A N 1.752 124.513 122.820 -0.099 0.000 2.393 553 A HA 0.655 4.975 4.320 0.001 0.000 0.306 553 A C -0.520 177.052 177.584 -0.021 0.000 1.050 553 A CA -0.901 51.120 52.037 -0.026 0.000 0.724 553 A CB 1.644 20.659 19.000 0.026 0.000 1.248 553 A HN 0.837 nan 8.150 nan 0.000 0.424 554 V N 4.126 124.023 119.914 -0.029 0.000 2.320 554 V HA 0.212 4.333 4.120 0.001 0.000 0.265 554 V C -0.356 175.684 176.094 -0.091 0.000 1.048 554 V CA -0.676 61.589 62.300 -0.058 0.000 0.865 554 V CB 0.071 31.879 31.823 -0.024 0.000 1.043 554 V HN 0.789 nan 8.190 nan 0.000 0.474 555 N N 4.324 122.866 118.700 -0.262 0.000 2.456 555 N HA 0.595 5.335 4.740 0.001 0.000 0.296 555 N C -0.356 174.972 175.510 -0.303 0.000 1.102 555 N CA -0.556 52.344 53.050 -0.250 0.000 0.924 555 N CB 2.090 40.356 38.487 -0.367 0.000 1.186 555 N HN 0.601 nan 8.380 nan 0.000 0.492 556 R N 1.587 122.074 120.500 -0.022 0.000 2.621 556 R HA 0.477 4.817 4.340 0.001 0.000 0.284 556 R C -1.352 174.923 176.300 -0.043 0.000 0.998 556 R CA -0.579 55.483 56.100 -0.063 0.000 0.895 556 R CB 1.064 31.288 30.300 -0.127 0.000 1.195 556 R HN 0.404 nan 8.270 nan 0.000 0.450 557 I N 4.228 124.782 120.570 -0.026 0.000 2.339 557 I HA 0.281 4.451 4.170 0.001 0.000 0.290 557 I C -0.387 175.661 176.117 -0.114 0.000 0.994 557 I CA -0.728 60.580 61.300 0.013 0.000 1.191 557 I CB 1.263 39.369 38.000 0.176 0.000 1.343 557 I HN 0.692 nan 8.210 nan 0.000 0.458 558 H N 5.941 125.027 119.070 0.026 0.000 2.473 558 H HA 0.648 5.204 4.556 0.001 0.000 0.327 558 H C -0.121 175.224 175.328 0.027 0.000 1.105 558 H CA -0.553 55.474 56.048 -0.035 0.000 1.280 558 H CB 1.122 30.746 29.762 -0.229 0.000 1.450 558 H HN 0.449 nan 8.280 nan 0.000 0.492 559 R N 1.854 122.420 120.500 0.110 0.000 2.604 559 R HA 0.772 5.113 4.340 0.001 0.000 0.281 559 R C -0.776 175.564 176.300 0.066 0.000 1.020 559 R CA -1.035 55.121 56.100 0.093 0.000 0.899 559 R CB 2.025 32.376 30.300 0.086 0.000 1.205 559 R HN 0.846 nan 8.270 nan 0.000 0.450 560 G N 1.867 110.684 108.800 0.029 0.000 2.351 560 G HA2 0.114 4.075 3.960 0.001 0.000 0.279 560 G HA3 0.114 4.075 3.960 0.001 0.000 0.279 560 G C -2.679 172.168 174.900 -0.089 0.000 1.297 560 G CA -0.809 44.283 45.100 -0.013 0.000 0.886 560 G HN 0.317 nan 8.290 nan 0.000 0.493 561 P HA 0.050 nan 4.420 nan 0.000 0.215 561 P C 1.370 178.543 177.300 -0.211 0.000 1.157 561 P CA 1.412 64.419 63.100 -0.155 0.000 0.863 561 P CB 0.230 31.858 31.700 -0.119 0.000 0.787 562 E N -1.670 118.381 120.200 -0.248 0.000 2.435 562 E HA -0.043 4.307 4.350 0.001 0.000 0.195 562 E C 0.059 176.125 176.600 -0.891 0.000 1.029 562 E CA 0.789 56.916 56.400 -0.456 0.000 0.865 562 E CB -0.355 29.091 29.700 -0.424 0.000 0.833 562 E HN 0.522 nan 8.360 nan 0.000 0.510 563 H N 0.202 118.953 119.070 -0.532 0.000 2.379 563 H HA 0.161 4.717 4.556 0.001 0.000 0.229 563 H C -2.263 172.643 175.328 -0.703 0.000 1.423 563 H CA -1.573 53.811 56.048 -1.106 0.000 1.375 563 H CB 0.745 30.113 29.762 -0.657 0.000 1.592 563 H HN -0.064 nan 8.280 nan 0.000 0.507 564 P HA 0.024 nan 4.420 nan 0.000 0.241 564 P C -0.276 177.387 177.300 0.605 0.000 1.760 564 P CA -0.078 63.125 63.100 0.172 0.000 1.081 564 P CB 0.091 31.896 31.700 0.175 0.000 1.975 565 S N 3.457 119.439 115.700 0.470 0.000 2.537 565 S HA 0.167 4.637 4.470 0.001 0.000 0.286 565 S C 0.491 175.276 174.600 0.308 0.000 1.299 565 S CA 0.109 58.550 58.200 0.402 0.000 1.067 565 S CB -0.196 63.141 63.200 0.229 0.000 0.864 565 S HN 0.584 nan 8.310 nan 0.000 0.494 566 H N 0.546 119.654 119.070 0.064 0.000 2.981 566 H HA 0.542 5.099 4.556 0.000 0.000 0.327 566 H C -1.344 173.939 175.328 -0.073 0.000 1.342 566 H CA -1.026 54.968 56.048 -0.090 0.000 1.123 566 H CB 0.863 30.400 29.762 -0.374 0.000 1.851 566 H HN 0.545 nan 8.280 nan 0.000 0.531 567 I N 1.913 122.509 120.570 0.044 0.000 2.404 567 I HA 0.341 4.511 4.170 0.001 0.000 0.293 567 I C -0.898 175.288 176.117 0.114 0.000 0.992 567 I CA -1.054 60.257 61.300 0.017 0.000 1.149 567 I CB 1.322 39.316 38.000 -0.010 0.000 1.315 567 I HN 0.375 nan 8.210 nan 0.000 0.446 568 V N 8.322 128.303 119.914 0.112 0.000 2.348 568 V HA 0.309 4.429 4.120 0.001 0.000 0.270 568 V C 0.108 176.269 176.094 0.113 0.000 1.037 568 V CA -0.423 61.975 62.300 0.165 0.000 0.872 568 V CB 0.841 32.771 31.823 0.178 0.000 1.002 568 V HN 0.512 nan 8.190 nan 0.000 0.464 569 L N 7.976 129.254 121.223 0.091 0.000 2.282 569 L HA 0.461 4.801 4.340 0.001 0.000 0.288 569 L C -2.111 174.749 176.870 -0.017 0.000 1.033 569 L CA -1.759 53.066 54.840 -0.026 0.000 0.807 569 L CB 2.386 44.283 42.059 -0.270 0.000 1.209 569 L HN 0.401 nan 8.230 nan 0.000 0.423 570 P HA 0.111 nan 4.420 nan 0.000 0.260 570 P C -0.492 176.676 177.300 -0.220 0.000 1.651 570 P CA -0.263 62.666 63.100 -0.285 0.000 1.139 570 P CB 0.054 31.581 31.700 -0.288 0.000 1.756 571 I N 5.065 125.536 120.570 -0.165 0.000 2.471 571 I HA 0.199 4.369 4.170 0.001 0.000 0.286 571 I C 0.912 176.959 176.117 -0.116 0.000 1.079 571 I CA -0.357 60.889 61.300 -0.090 0.000 1.398 571 I CB 0.364 38.364 38.000 0.001 0.000 1.403 571 I HN 0.203 nan 8.210 nan 0.000 0.530 572 I N 5.712 126.230 120.570 -0.087 0.000 2.406 572 I HA 0.349 4.520 4.170 0.001 0.000 0.290 572 I C 0.490 176.580 176.117 -0.046 0.000 0.999 572 I CA -0.772 60.481 61.300 -0.078 0.000 1.124 572 I CB 1.226 39.179 38.000 -0.079 0.000 1.289 572 I HN 0.604 nan 8.210 nan 0.000 0.441 573 K N 6.768 127.145 120.400 -0.038 0.000 2.450 573 K HA 0.813 5.133 4.320 0.001 0.000 0.257 573 K C -0.359 176.228 176.600 -0.022 0.000 0.953 573 K CA -0.702 55.571 56.287 -0.024 0.000 0.844 573 K CB 1.771 34.260 32.500 -0.018 0.000 1.103 573 K HN 0.729 nan 8.250 nan 0.000 0.429 574 R N 0.000 120.488 120.500 -0.019 0.000 2.786 574 R HA 0.000 4.340 4.340 0.001 0.000 0.208 574 R CA 0.000 56.091 56.100 -0.015 0.000 0.921 574 R CB 0.000 30.291 30.300 -0.016 0.000 0.687 574 R HN 0.000 nan 8.270 nan 0.000 0.535