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 3phf_1_W DATA FIRST_RESID 20 DATA SEQUENCE LSEVKLHLDI EGHASHYTIP WTELMAKVPG LSPEALWREA NVTEDLASML DATA SEQUENCE NRYKLIYKTS GTLGIALAEP VDIPAVSEGS MQVDASKVHP GVISGLNSPA DATA SEQUENCE cMLSAPLEKQ LFYYIGTMLP NTRPHSYVFY QLRCHLSYVA LSINGDKFQY DATA SEQUENCE TGAMTSKFLM GTYKRVTEKG DEHVLSLVFG KTKDLPDLRG PFSYPSLTSA DATA SEQUENCE QSGDYSLVIV TTFVHYANFH NYFVPNLKDM FSRAVTMTAA SYARYVLQKL DATA SEQUENCE VLLEMKGGcR EPELDTETLT TMFEVSVAFF KVGHAVGETG NGcVDLRWLA DATA SEQUENCE KSFFELTVLK DIIGIcYGAT VKGMQSYGLE RLAAMLMATV KMEELGHLTT DATA SEQUENCE EKQEYALRLA TVGYPKAGVY SGLIGGATSV LLSAYNRHPL FQPLHTVMRE DATA SEQUENCE TLFIGSHVVL RELRLNVTTQ GPNLALYQLL STALcSALEI GEVLRGLALG DATA SEQUENCE TESGLFSPcY LSLRFDLTRD KLLSMAPQEA TLDQAAVSNA VDGFLGRLSL DATA SEQUENCE EREDRDAWHL PAYKcVDRLD KVLMIIPLIN VTFIISSDRE VRGSALYEAS DATA SEQUENCE TTYLSSSLFL SPVIMNKcSQ GAVAGEPRQI PKIQNFTRTQ KSCIFCGFAL DATA SEQUENCE LSYDEKEGLE TTTYITSQEV QNSILSSNYF DFDNLHVHYL LLTTNGTVME DATA SEQUENCE IAG 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.515 176.870 -0.591 0.000 1.165 20 L CA 0.000 54.715 54.840 -0.208 0.000 0.813 20 L CB 0.000 41.969 42.059 -0.150 0.000 0.961 21 S N -0.871 114.130 115.700 -1.164 0.000 4.151 21 S HA -0.237 4.233 4.470 0.000 0.000 0.617 21 S C -0.011 174.110 174.600 -0.798 0.000 1.878 21 S CA 1.119 58.804 58.200 -0.858 0.000 4.245 21 S CB -1.200 61.752 63.200 -0.412 0.000 0.205 21 S HN 0.804 nan 8.310 nan 0.000 0.468 22 E N 0.990 120.961 120.200 -0.382 0.000 2.391 22 E HA 0.476 4.826 4.350 0.000 0.000 0.255 22 E C -0.416 176.136 176.600 -0.080 0.000 1.187 22 E CA 0.401 56.679 56.400 -0.204 0.000 0.941 22 E CB 1.242 30.879 29.700 -0.106 0.000 1.010 22 E HN 0.639 nan 8.360 nan 0.000 0.458 23 V N 1.833 121.761 119.914 0.022 0.000 3.678 23 V HA 0.028 4.149 4.120 0.000 0.000 0.238 23 V C -1.432 174.716 176.094 0.091 0.000 1.328 23 V CA -0.675 61.683 62.300 0.097 0.000 1.037 23 V CB 0.526 32.481 31.823 0.221 0.000 0.979 23 V HN 0.684 nan 8.190 nan 0.000 0.487 24 K N 5.891 126.333 120.400 0.069 0.000 2.237 24 K HA 0.688 5.008 4.320 0.000 0.000 0.270 24 K C -0.710 175.913 176.600 0.039 0.000 1.015 24 K CA -0.580 55.719 56.287 0.020 0.000 0.949 24 K CB 2.025 34.490 32.500 -0.057 0.000 0.976 24 K HN 0.567 nan 8.250 nan 0.000 0.472 25 L N 3.567 124.783 121.223 -0.010 0.000 2.316 25 L HA 0.270 4.610 4.340 0.000 0.000 0.280 25 L C -1.049 175.781 176.870 -0.066 0.000 1.006 25 L CA -0.940 53.934 54.840 0.057 0.000 0.836 25 L CB 0.881 43.005 42.059 0.108 0.000 1.221 25 L HN 0.726 nan 8.230 nan 0.000 0.418 26 H N 4.876 123.900 119.070 -0.077 0.000 2.562 26 H HA 0.497 5.053 4.556 0.000 0.000 0.314 26 H C -0.716 174.592 175.328 -0.033 0.000 1.079 26 H CA -0.242 55.699 56.048 -0.178 0.000 1.349 26 H CB 0.851 30.470 29.762 -0.237 0.000 1.432 26 H HN 0.358 nan 8.280 nan 0.000 0.479 27 L N 1.880 123.167 121.223 0.106 0.000 2.377 27 L HA 0.339 4.679 4.340 0.000 0.000 0.270 27 L C -0.417 176.525 176.870 0.119 0.000 0.991 27 L CA -0.786 54.127 54.840 0.122 0.000 0.851 27 L CB 1.611 43.760 42.059 0.150 0.000 1.218 27 L HN 0.467 nan 8.230 nan 0.000 0.420 28 D N 3.351 123.810 120.400 0.098 0.000 2.619 28 D HA 0.307 4.947 4.640 0.000 0.000 0.224 28 D C 0.503 176.853 176.300 0.083 0.000 1.133 28 D CA -0.331 53.725 54.000 0.092 0.000 1.017 28 D CB 0.267 41.108 40.800 0.068 0.000 1.077 28 D HN 0.458 nan 8.370 nan 0.000 0.503 29 I N -1.484 119.146 120.570 0.100 0.000 3.184 29 I HA 0.112 4.282 4.170 0.000 0.000 0.216 29 I C 0.737 176.907 176.117 0.089 0.000 1.293 29 I CA -0.417 60.936 61.300 0.088 0.000 0.817 29 I CB 0.248 38.306 38.000 0.096 0.000 1.690 29 I HN -0.027 nan 8.210 nan 0.000 0.944 30 E N 1.553 121.802 120.200 0.081 0.000 2.847 30 E HA 0.118 4.468 4.350 0.000 0.000 0.290 30 E C 0.990 177.665 176.600 0.126 0.000 1.103 30 E CA 0.879 57.328 56.400 0.081 0.000 1.173 30 E CB -1.307 28.431 29.700 0.064 0.000 1.045 30 E HN 1.040 nan 8.360 nan 0.000 0.461 31 G N 1.402 110.272 108.800 0.116 0.000 2.307 31 G HA2 -0.197 3.763 3.960 0.000 0.000 0.210 31 G HA3 -0.197 3.763 3.960 0.000 0.000 0.210 31 G C -0.042 174.871 174.900 0.021 0.000 1.005 31 G CA -0.263 44.912 45.100 0.124 0.000 0.634 31 G HN 0.550 nan 8.290 nan 0.000 0.496 32 H N 0.107 119.201 119.070 0.039 0.000 2.851 32 H HA 0.753 5.309 4.556 0.000 0.000 0.372 32 H C 0.099 175.467 175.328 0.067 0.000 1.158 32 H CA 0.168 56.242 56.048 0.043 0.000 1.159 32 H CB 1.851 31.632 29.762 0.032 0.000 1.757 32 H HN 0.625 nan 8.280 nan 0.000 0.546 33 A N 2.003 124.932 122.820 0.182 0.000 2.269 33 A HA 0.532 4.852 4.320 0.000 0.000 0.302 33 A C -0.283 177.452 177.584 0.252 0.000 1.266 33 A CA -0.447 51.716 52.037 0.210 0.000 0.894 33 A CB 0.109 19.262 19.000 0.256 0.000 1.147 33 A HN 0.586 nan 8.150 nan 0.000 0.537 34 S N 1.244 117.061 115.700 0.197 0.000 2.585 34 S HA 0.542 5.012 4.470 0.000 0.000 0.277 34 S C -0.778 173.837 174.600 0.026 0.000 1.241 34 S CA -0.288 57.958 58.200 0.076 0.000 1.041 34 S CB 0.493 63.738 63.200 0.075 0.000 0.987 34 S HN 0.717 nan 8.310 nan 0.000 0.512 35 H N 1.118 119.894 119.070 -0.489 0.000 2.970 35 H HA 0.440 4.996 4.556 0.000 0.000 0.315 35 H C -1.511 173.459 175.328 -0.596 0.000 0.992 35 H CA -0.313 55.455 56.048 -0.467 0.000 1.363 35 H CB 0.328 29.897 29.762 -0.321 0.000 1.532 35 H HN 0.486 nan 8.280 nan 0.000 0.514 36 Y N 0.921 121.170 120.300 -0.085 0.000 2.376 36 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 36 Y C 0.260 176.126 175.900 -0.058 0.000 0.965 36 Y CA -1.055 57.020 58.100 -0.042 0.000 1.078 36 Y CB 1.960 40.407 38.460 -0.022 0.000 1.193 36 Y HN 0.500 nan 8.280 nan 0.000 0.452 37 T N 1.308 115.932 114.554 0.116 0.000 2.772 37 T HA 0.657 5.007 4.350 0.000 0.000 0.288 37 T C -0.603 174.147 174.700 0.083 0.000 0.994 37 T CA -0.585 61.555 62.100 0.065 0.000 0.951 37 T CB 0.146 69.030 68.868 0.027 0.000 0.933 37 T HN 0.505 nan 8.240 nan 0.000 0.447 38 I N 5.317 125.946 120.570 0.097 0.000 2.310 38 I HA 0.294 4.464 4.170 0.000 0.000 0.287 38 I C -2.406 173.782 176.117 0.117 0.000 1.073 38 I CA -2.517 58.853 61.300 0.118 0.000 1.216 38 I CB 1.359 39.450 38.000 0.152 0.000 1.415 38 I HN 0.380 nan 8.210 nan 0.000 0.480 39 P HA 0.045 nan 4.420 nan 0.000 0.256 39 P C 0.645 177.906 177.300 -0.066 0.000 1.689 39 P CA -0.429 62.605 63.100 -0.111 0.000 1.124 39 P CB -0.068 31.573 31.700 -0.099 0.000 1.766 40 W N 1.639 122.926 121.300 -0.022 0.000 2.721 40 W HA -0.063 4.597 4.660 0.000 0.000 0.245 40 W C 1.008 177.518 176.519 -0.016 0.000 1.276 40 W CA 0.726 58.059 57.345 -0.020 0.000 1.342 40 W CB -2.065 27.378 29.460 -0.029 0.000 1.135 40 W HN 0.178 nan 8.180 nan 0.000 0.654 41 T N 1.096 115.468 114.554 -0.303 0.000 2.777 41 T HA -0.263 4.087 4.350 0.000 0.000 0.266 41 T C 1.758 176.408 174.700 -0.084 0.000 1.040 41 T CA 2.211 64.156 62.100 -0.257 0.000 1.141 41 T CB -0.184 68.457 68.868 -0.377 0.000 0.868 41 T HN 0.306 nan 8.240 nan 0.000 0.444 42 E N -0.268 119.891 120.200 -0.069 0.000 2.158 42 E HA -0.018 4.332 4.350 0.000 0.000 0.191 42 E C 2.352 178.961 176.600 0.016 0.000 0.982 42 E CA 0.502 56.887 56.400 -0.025 0.000 0.823 42 E CB -0.178 29.506 29.700 -0.027 0.000 0.766 42 E HN 0.536 nan 8.360 nan 0.000 0.468 43 L N 0.409 121.659 121.223 0.046 0.000 2.046 43 L HA -0.183 4.157 4.340 0.000 0.000 0.208 43 L C 2.751 179.667 176.870 0.076 0.000 1.077 43 L CA 1.141 56.024 54.840 0.071 0.000 0.747 43 L CB -0.335 41.790 42.059 0.110 0.000 0.896 43 L HN 0.285 nan 8.230 nan 0.000 0.432 44 M N -0.859 118.801 119.600 0.101 0.000 2.267 44 M HA -0.206 4.274 4.480 0.000 0.000 0.263 44 M C 2.350 178.687 176.300 0.062 0.000 1.063 44 M CA 1.650 57.009 55.300 0.097 0.000 1.090 44 M CB -0.507 32.172 32.600 0.132 0.000 1.392 44 M HN 0.345 nan 8.290 nan 0.000 0.422 45 A N 0.369 123.215 122.820 0.044 0.000 1.874 45 A HA -0.088 4.232 4.320 0.000 0.000 0.214 45 A C 2.072 179.674 177.584 0.030 0.000 1.189 45 A CA 1.229 53.284 52.037 0.030 0.000 0.615 45 A CB -0.297 18.713 19.000 0.016 0.000 0.830 45 A HN 0.369 nan 8.150 nan 0.000 0.443 46 K N -0.726 119.692 120.400 0.030 0.000 2.486 46 K HA 0.161 4.481 4.320 0.000 0.000 0.194 46 K C -0.608 176.012 176.600 0.033 0.000 1.033 46 K CA 0.205 56.509 56.287 0.028 0.000 1.004 46 K CB 0.183 32.697 32.500 0.024 0.000 0.798 46 K HN 0.322 nan 8.250 nan 0.000 0.495 47 V N 1.577 121.515 119.914 0.040 0.000 2.680 47 V HA 0.148 4.268 4.120 0.000 0.000 0.309 47 V C -1.686 174.434 176.094 0.044 0.000 1.052 47 V CA -1.427 60.898 62.300 0.042 0.000 0.908 47 V CB 1.780 33.630 31.823 0.045 0.000 1.001 47 V HN -0.019 nan 8.190 nan 0.000 0.431 48 P HA 0.074 nan 4.420 nan 0.000 0.210 48 P C 1.360 178.684 177.300 0.041 0.000 1.173 48 P CA 1.207 64.332 63.100 0.042 0.000 0.898 48 P CB 0.399 32.125 31.700 0.044 0.000 0.758 49 G N 0.266 109.089 108.800 0.038 0.000 2.776 49 G HA2 -0.037 3.923 3.960 0.000 0.000 0.209 49 G HA3 -0.037 3.923 3.960 0.000 0.000 0.209 49 G C 0.752 175.672 174.900 0.034 0.000 1.145 49 G CA -0.252 44.868 45.100 0.033 0.000 0.791 49 G HN 0.226 nan 8.290 nan 0.000 0.530 50 L N 2.792 124.037 121.223 0.037 0.000 2.454 50 L HA 0.269 4.609 4.340 0.000 0.000 0.284 50 L C 0.069 176.963 176.870 0.040 0.000 1.139 50 L CA -0.439 54.421 54.840 0.034 0.000 0.911 50 L CB 0.506 42.591 42.059 0.043 0.000 1.262 50 L HN 0.130 nan 8.230 nan 0.000 0.453 51 S N 4.257 119.972 115.700 0.026 0.000 2.328 51 S HA 0.341 4.811 4.470 0.000 0.000 0.204 51 S C -1.444 173.149 174.600 -0.012 0.000 1.475 51 S CA -1.192 57.023 58.200 0.025 0.000 1.148 51 S CB 0.830 64.050 63.200 0.033 0.000 1.077 51 S HN 0.491 nan 8.310 nan 0.000 0.479 52 P HA -0.216 nan 4.420 nan 0.000 0.217 52 P C 1.283 178.489 177.300 -0.157 0.000 1.151 52 P CA 1.331 64.321 63.100 -0.183 0.000 0.849 52 P CB 0.234 31.680 31.700 -0.424 0.000 0.787 53 E N -0.028 120.085 120.200 -0.144 0.000 2.097 53 E HA -0.173 4.177 4.350 0.000 0.000 0.196 53 E C 2.186 178.820 176.600 0.057 0.000 1.000 53 E CA 1.667 58.033 56.400 -0.058 0.000 0.804 53 E CB -0.820 28.869 29.700 -0.018 0.000 0.740 53 E HN 0.255 nan 8.360 nan 0.000 0.454 54 A N 0.800 123.651 122.820 0.051 0.000 1.855 54 A HA -0.103 4.217 4.320 0.000 0.000 0.215 54 A C 2.460 180.110 177.584 0.111 0.000 1.191 54 A CA 1.087 53.172 52.037 0.078 0.000 0.613 54 A CB -0.793 18.246 19.000 0.066 0.000 0.829 54 A HN 0.212 nan 8.150 nan 0.000 0.442 55 L N -1.411 119.873 121.223 0.101 0.000 2.079 55 L HA -0.234 4.106 4.340 0.000 0.000 0.210 55 L C 2.627 179.609 176.870 0.187 0.000 1.081 55 L CA 1.568 56.489 54.840 0.134 0.000 0.752 55 L CB -0.510 41.542 42.059 -0.010 0.000 0.896 55 L HN 0.800 nan 8.230 nan 0.000 0.433 56 W N 1.274 122.554 121.300 -0.033 0.000 2.374 56 W HA -0.237 4.423 4.660 0.000 0.000 0.288 56 W C 2.521 179.049 176.519 0.015 0.000 1.218 56 W CA 1.418 58.742 57.345 -0.035 0.000 1.245 56 W CB 0.005 29.390 29.460 -0.125 0.000 1.126 56 W HN 0.109 nan 8.180 nan 0.000 0.545 57 R N 1.010 121.554 120.500 0.075 0.000 2.127 57 R HA -0.056 4.284 4.340 0.000 0.000 0.217 57 R C 2.143 178.429 176.300 -0.023 0.000 1.074 57 R CA 1.721 57.817 56.100 -0.007 0.000 0.991 57 R CB -0.818 29.528 30.300 0.076 0.000 0.895 57 R HN 0.149 nan 8.270 nan 0.000 0.450 58 E N 0.327 120.557 120.200 0.050 0.000 2.070 58 E HA -0.134 4.216 4.350 0.000 0.000 0.197 58 E C 0.039 176.631 176.600 -0.014 0.000 1.004 58 E CA 1.249 57.684 56.400 0.059 0.000 0.805 58 E CB -0.225 29.576 29.700 0.168 0.000 0.744 58 E HN 0.333 nan 8.360 nan 0.000 0.451 59 A N 2.282 125.092 122.820 -0.017 0.000 2.437 59 A HA 0.073 4.393 4.320 0.000 0.000 0.303 59 A C -0.042 177.410 177.584 -0.220 0.000 1.324 59 A CA -0.358 51.613 52.037 -0.110 0.000 0.983 59 A CB -0.038 18.952 19.000 -0.018 0.000 1.142 59 A HN 0.040 nan 8.150 nan 0.000 0.541 60 N N 2.570 121.172 118.700 -0.164 0.000 2.374 60 N HA -0.028 4.712 4.740 0.000 0.000 0.298 60 N C 1.164 176.538 175.510 -0.227 0.000 1.273 60 N CA 0.329 53.278 53.050 -0.169 0.000 1.093 60 N CB 0.353 38.776 38.487 -0.106 0.000 1.486 60 N HN 0.608 nan 8.380 nan 0.000 0.488 61 V N 0.430 120.124 119.914 -0.367 0.000 3.535 61 V HA 0.019 4.139 4.120 0.000 0.000 0.276 61 V C 0.887 176.858 176.094 -0.205 0.000 1.227 61 V CA 0.704 62.760 62.300 -0.406 0.000 1.209 61 V CB -1.112 30.207 31.823 -0.840 0.000 0.969 61 V HN 0.463 nan 8.190 nan 0.000 0.469 62 T N -2.290 112.177 114.554 -0.144 0.000 3.186 62 T HA 0.176 4.526 4.350 0.000 0.000 0.292 62 T C 0.545 175.201 174.700 -0.073 0.000 0.915 62 T CA -0.144 61.909 62.100 -0.080 0.000 0.902 62 T CB -0.007 68.831 68.868 -0.051 0.000 1.192 62 T HN 0.540 nan 8.240 nan 0.000 0.563 63 E N 4.254 124.399 120.200 -0.092 0.000 2.244 63 E HA -0.004 4.346 4.350 0.000 0.000 0.243 63 E C -0.219 176.335 176.600 -0.076 0.000 1.250 63 E CA -0.386 55.963 56.400 -0.085 0.000 0.988 63 E CB -0.289 29.349 29.700 -0.104 0.000 1.095 63 E HN 0.431 nan 8.360 nan 0.000 0.454 64 D N 2.922 123.287 120.400 -0.059 0.000 2.622 64 D HA -0.227 4.413 4.640 0.000 0.000 0.227 64 D C 1.463 177.728 176.300 -0.059 0.000 1.159 64 D CA -0.176 53.794 54.000 -0.051 0.000 0.865 64 D CB 0.666 41.443 40.800 -0.038 0.000 1.207 64 D HN 0.171 nan 8.370 nan 0.000 0.492 65 L N 1.909 123.099 121.223 -0.055 0.000 2.107 65 L HA -0.381 3.959 4.340 0.000 0.000 0.240 65 L C 2.611 179.441 176.870 -0.066 0.000 1.115 65 L CA 3.118 57.922 54.840 -0.061 0.000 0.840 65 L CB -2.202 39.828 42.059 -0.049 0.000 0.935 65 L HN 0.767 nan 8.230 nan 0.000 0.449 66 A N -0.733 122.054 122.820 -0.054 0.000 1.873 66 A HA -0.237 4.083 4.320 0.000 0.000 0.218 66 A C 2.491 180.040 177.584 -0.060 0.000 1.193 66 A CA 2.569 54.575 52.037 -0.052 0.000 0.629 66 A CB -0.895 18.081 19.000 -0.040 0.000 0.826 66 A HN 0.563 nan 8.150 nan 0.000 0.447 67 S N -0.759 114.904 115.700 -0.062 0.000 2.365 67 S HA -0.297 4.173 4.470 0.000 0.000 0.225 67 S C 2.002 176.544 174.600 -0.096 0.000 1.039 67 S CA 1.933 60.090 58.200 -0.073 0.000 1.033 67 S CB -0.496 62.663 63.200 -0.069 0.000 0.887 67 S HN 0.612 nan 8.310 nan 0.000 0.447 68 M N 1.008 120.543 119.600 -0.108 0.000 2.108 68 M HA -0.181 4.299 4.480 0.000 0.000 0.257 68 M C 1.723 177.943 176.300 -0.133 0.000 1.071 68 M CA 1.537 56.752 55.300 -0.141 0.000 1.093 68 M CB -0.416 32.090 32.600 -0.156 0.000 1.345 68 M HN 0.269 nan 8.290 nan 0.000 0.403 69 L N 0.325 121.490 121.223 -0.096 0.000 2.012 69 L HA -0.297 4.043 4.340 0.000 0.000 0.210 69 L C 2.102 178.965 176.870 -0.012 0.000 1.073 69 L CA 1.356 56.171 54.840 -0.042 0.000 0.748 69 L CB -1.314 40.725 42.059 -0.033 0.000 0.891 69 L HN 0.387 nan 8.230 nan 0.000 0.431 70 N N 1.048 119.721 118.700 -0.046 0.000 2.192 70 N HA -0.228 4.512 4.740 0.000 0.000 0.188 70 N C 1.751 177.223 175.510 -0.063 0.000 1.013 70 N CA 1.807 54.829 53.050 -0.046 0.000 0.863 70 N CB -0.432 38.016 38.487 -0.064 0.000 0.990 70 N HN 0.597 nan 8.380 nan 0.000 0.430 71 R N -0.891 119.542 120.500 -0.112 0.000 2.312 71 R HA 0.069 4.409 4.340 0.000 0.000 0.205 71 R C 1.660 177.981 176.300 0.035 0.000 0.904 71 R CA 0.097 56.111 56.100 -0.144 0.000 1.052 71 R CB -0.475 29.609 30.300 -0.359 0.000 1.014 71 R HN 0.276 nan 8.270 nan 0.000 0.503 72 Y N 2.787 123.005 120.300 -0.137 0.000 2.503 72 Y HA 0.138 4.688 4.550 0.000 0.000 0.278 72 Y C 1.746 177.662 175.900 0.027 0.000 1.111 72 Y CA 0.748 58.747 58.100 -0.169 0.000 1.270 72 Y CB 0.475 38.693 38.460 -0.403 0.000 1.063 72 Y HN 0.057 nan 8.280 nan 0.000 0.548 73 K N -0.238 120.134 120.400 -0.047 0.000 2.334 73 K HA 0.130 4.450 4.320 0.000 0.000 0.195 73 K C 0.885 177.580 176.600 0.158 0.000 1.045 73 K CA 0.503 56.789 56.287 -0.001 0.000 1.004 73 K CB -0.160 32.367 32.500 0.045 0.000 0.837 73 K HN 0.295 nan 8.250 nan 0.000 0.510 74 L N 2.366 123.652 121.223 0.106 0.000 2.862 74 L HA 0.257 4.597 4.340 0.000 0.000 0.240 74 L C -0.386 176.553 176.870 0.115 0.000 1.283 74 L CA -0.091 54.845 54.840 0.160 0.000 1.117 74 L CB 0.008 42.115 42.059 0.081 0.000 1.444 74 L HN 0.266 nan 8.230 nan 0.000 0.456 75 I N -0.748 119.819 120.570 -0.004 0.000 2.534 75 I HA 0.133 4.303 4.170 0.000 0.000 0.288 75 I C -0.296 175.318 176.117 -0.838 0.000 1.077 75 I CA -0.795 60.359 61.300 -0.244 0.000 1.051 75 I CB 1.960 39.909 38.000 -0.085 0.000 1.234 75 I HN -0.056 nan 8.210 nan 0.000 0.425 76 Y N 7.585 127.232 120.300 -1.089 0.000 2.810 76 Y HA -0.011 4.539 4.550 0.000 0.000 0.332 76 Y C 0.044 175.478 175.900 -0.776 0.000 1.243 76 Y CA 0.538 57.797 58.100 -1.401 0.000 1.537 76 Y CB 0.395 38.397 38.460 -0.764 0.000 1.265 76 Y HN 0.357 nan 8.280 nan 0.000 0.572 77 K N 4.704 124.383 120.400 -1.200 0.000 2.221 77 K HA 0.254 4.574 4.320 0.000 0.000 0.258 77 K C -0.429 175.621 176.600 -0.916 0.000 0.944 77 K CA -0.872 54.984 56.287 -0.718 0.000 0.823 77 K CB 1.470 33.792 32.500 -0.296 0.000 1.113 77 K HN 0.574 nan 8.250 nan 0.000 0.431 78 T N 2.054 116.290 114.554 -0.531 0.000 2.793 78 T HA -0.038 4.312 4.350 0.000 0.000 0.289 78 T C 1.127 175.677 174.700 -0.249 0.000 0.956 78 T CA 0.218 62.103 62.100 -0.358 0.000 1.177 78 T CB -0.072 68.707 68.868 -0.149 0.000 0.897 78 T HN 0.587 nan 8.240 nan 0.000 0.533 79 S N 2.375 117.949 115.700 -0.210 0.000 3.009 79 S HA 0.358 4.828 4.470 0.000 0.000 0.243 79 S C 0.944 175.521 174.600 -0.039 0.000 1.012 79 S CA -0.269 57.877 58.200 -0.090 0.000 1.113 79 S CB -0.519 62.672 63.200 -0.014 0.000 0.827 79 S HN 1.200 nan 8.310 nan 0.000 0.495 80 G N 0.629 109.401 108.800 -0.047 0.000 2.781 80 G HA2 0.003 3.963 3.960 0.000 0.000 0.468 80 G HA3 0.003 3.963 3.960 0.000 0.000 0.468 80 G C -0.444 174.447 174.900 -0.016 0.000 1.186 80 G CA -0.927 44.160 45.100 -0.020 0.000 1.220 80 G HN 0.262 nan 8.290 nan 0.000 0.564 81 T N 2.259 116.802 114.554 -0.018 0.000 2.867 81 T HA 0.428 4.778 4.350 0.000 0.000 0.297 81 T C 0.795 175.488 174.700 -0.012 0.000 0.989 81 T CA 0.711 62.799 62.100 -0.019 0.000 1.159 81 T CB 0.310 69.171 68.868 -0.011 0.000 0.928 81 T HN 1.216 nan 8.240 nan 0.000 0.538 82 L N 1.658 122.869 121.223 -0.020 0.000 2.333 82 L HA 0.896 5.236 4.340 0.000 0.000 0.280 82 L C 0.373 177.240 176.870 -0.006 0.000 1.004 82 L CA -0.919 53.919 54.840 -0.004 0.000 0.820 82 L CB 1.369 43.432 42.059 0.007 0.000 1.247 82 L HN 0.537 nan 8.230 nan 0.000 0.416 83 G N 3.251 112.064 108.800 0.022 0.000 2.504 83 G HA2 0.784 4.744 3.960 0.000 0.000 0.288 83 G HA3 0.784 4.744 3.960 0.000 0.000 0.288 83 G C -0.630 174.319 174.900 0.083 0.000 1.182 83 G CA -0.674 44.457 45.100 0.051 0.000 0.894 83 G HN 0.662 nan 8.290 nan 0.000 0.521 84 I N -0.488 120.164 120.570 0.137 0.000 2.913 84 I HA 0.420 4.590 4.170 0.000 0.000 0.302 84 I C 0.086 176.291 176.117 0.146 0.000 1.246 84 I CA -1.248 60.141 61.300 0.148 0.000 1.010 84 I CB 2.483 40.606 38.000 0.204 0.000 1.259 84 I HN 0.564 nan 8.210 nan 0.000 0.434 85 A N 6.486 129.371 122.820 0.109 0.000 2.666 85 A HA 0.572 4.892 4.320 0.000 0.000 0.301 85 A C -0.592 177.046 177.584 0.090 0.000 1.470 85 A CA 0.135 52.226 52.037 0.090 0.000 1.159 85 A CB -0.640 18.399 19.000 0.065 0.000 1.116 85 A HN 0.532 nan 8.150 nan 0.000 0.548 86 L N 2.180 123.467 121.223 0.107 0.000 2.349 86 L HA 0.626 4.966 4.340 0.000 0.000 0.278 86 L C 0.255 177.172 176.870 0.079 0.000 0.996 86 L CA -0.480 54.409 54.840 0.081 0.000 0.825 86 L CB 2.079 44.188 42.059 0.083 0.000 1.243 86 L HN 0.613 nan 8.230 nan 0.000 0.412 87 A N 3.255 126.106 122.820 0.051 0.000 2.508 87 A HA 0.268 4.588 4.320 0.000 0.000 0.336 87 A C 0.021 177.631 177.584 0.044 0.000 1.360 87 A CA -0.486 51.583 52.037 0.053 0.000 0.841 87 A CB 0.372 19.395 19.000 0.040 0.000 1.136 87 A HN 0.751 nan 8.150 nan 0.000 0.489 88 E N 3.023 123.266 120.200 0.071 0.000 2.652 88 E HA 0.068 4.418 4.350 0.000 0.000 0.255 88 E C -1.836 174.790 176.600 0.043 0.000 0.952 88 E CA -0.727 55.711 56.400 0.064 0.000 0.947 88 E CB 0.502 30.301 29.700 0.165 0.000 0.912 88 E HN 0.425 nan 8.360 nan 0.000 0.489 89 P HA 0.061 nan 4.420 nan 0.000 0.286 89 P C -1.040 176.269 177.300 0.014 0.000 1.293 89 P CA -0.543 62.570 63.100 0.022 0.000 0.770 89 P CB 0.500 32.216 31.700 0.027 0.000 1.206 90 V N 0.992 120.906 119.914 -0.000 0.000 2.313 90 V HA 0.173 4.293 4.120 0.000 0.000 0.278 90 V C 0.186 176.235 176.094 -0.075 0.000 1.017 90 V CA -0.163 62.112 62.300 -0.042 0.000 0.823 90 V CB 0.361 32.155 31.823 -0.048 0.000 1.010 90 V HN 0.364 nan 8.190 nan 0.000 0.443 91 D N 4.842 125.158 120.400 -0.139 0.000 2.049 91 D HA 0.094 4.734 4.640 0.000 0.000 0.240 91 D C 0.695 176.481 176.300 -0.857 0.000 0.979 91 D CA 1.178 54.991 54.000 -0.311 0.000 0.915 91 D CB 0.027 40.711 40.800 -0.193 0.000 1.050 91 D HN 0.603 nan 8.370 nan 0.000 0.444 92 I N 3.440 123.330 120.570 -1.134 0.000 2.821 92 I HA -0.021 4.149 4.170 0.000 0.000 0.294 92 I C -1.646 174.152 176.117 -0.532 0.000 1.210 92 I CA -0.513 60.106 61.300 -1.135 0.000 1.430 92 I CB -0.388 37.149 38.000 -0.772 0.000 1.356 92 I HN 0.085 nan 8.210 nan 0.000 0.563 93 P HA 0.394 nan 4.420 nan 0.000 0.279 93 P C -0.786 176.434 177.300 -0.133 0.000 1.276 93 P CA -0.664 62.335 63.100 -0.168 0.000 0.801 93 P CB 0.841 32.501 31.700 -0.067 0.000 1.127 94 A N 0.526 123.296 122.820 -0.084 0.000 2.332 94 A HA 0.298 4.618 4.320 0.000 0.000 0.258 94 A C 0.644 178.201 177.584 -0.045 0.000 1.087 94 A CA -0.517 51.480 52.037 -0.066 0.000 0.802 94 A CB -0.022 18.948 19.000 -0.050 0.000 1.042 94 A HN 0.425 nan 8.150 nan 0.000 0.489 95 V N 1.138 121.029 119.914 -0.038 0.000 3.923 95 V HA 0.289 4.409 4.120 0.000 0.000 0.292 95 V C 0.837 176.920 176.094 -0.017 0.000 1.070 95 V CA 0.979 63.265 62.300 -0.022 0.000 1.103 95 V CB 1.206 33.017 31.823 -0.020 0.000 1.175 95 V HN 1.088 nan 8.190 nan 0.000 0.471 96 S N -0.509 115.184 115.700 -0.011 0.000 2.806 96 S HA 0.372 4.842 4.470 0.000 0.000 0.306 96 S C 0.416 175.010 174.600 -0.009 0.000 1.167 96 S CA -0.174 58.019 58.200 -0.011 0.000 0.847 96 S CB 1.584 64.777 63.200 -0.012 0.000 1.216 96 S HN 0.840 nan 8.310 nan 0.000 0.532 97 E N 1.018 121.213 120.200 -0.009 0.000 1.977 97 E HA -0.052 4.298 4.350 0.000 0.000 0.201 97 E C 1.107 177.705 176.600 -0.004 0.000 0.976 97 E CA 0.792 57.188 56.400 -0.007 0.000 0.868 97 E CB -0.641 29.054 29.700 -0.007 0.000 0.816 97 E HN 0.752 nan 8.360 nan 0.000 0.522 98 G N 1.405 110.203 108.800 -0.004 0.000 3.090 98 G HA2 0.093 4.053 3.960 0.000 0.000 0.259 98 G HA3 0.093 4.053 3.960 0.000 0.000 0.259 98 G C -0.617 174.284 174.900 0.003 0.000 0.797 98 G CA 0.279 45.379 45.100 -0.000 0.000 2.032 98 G HN 0.189 nan 8.290 nan 0.000 0.614 99 S N 0.135 115.838 115.700 0.004 0.000 2.502 99 S HA 0.688 5.158 4.470 0.000 0.000 0.304 99 S C -0.346 174.261 174.600 0.013 0.000 1.097 99 S CA -0.990 57.215 58.200 0.009 0.000 1.045 99 S CB 2.111 65.316 63.200 0.007 0.000 1.019 99 S HN 0.052 nan 8.310 nan 0.000 0.481 100 M N 2.694 122.305 119.600 0.019 0.000 2.211 100 M HA 0.295 4.775 4.480 0.000 0.000 0.356 100 M C 0.156 176.469 176.300 0.022 0.000 1.216 100 M CA 0.219 55.533 55.300 0.024 0.000 1.134 100 M CB 0.708 33.327 32.600 0.031 0.000 1.564 100 M HN 0.662 nan 8.290 nan 0.000 0.463 101 Q N 3.162 122.975 119.800 0.022 0.000 2.456 101 Q HA 0.422 4.762 4.340 0.000 0.000 0.234 101 Q C -0.831 175.183 176.000 0.023 0.000 1.061 101 Q CA -0.661 55.152 55.803 0.017 0.000 0.896 101 Q CB 0.435 29.179 28.738 0.010 0.000 1.233 101 Q HN 0.628 nan 8.270 nan 0.000 0.506 102 V N -0.654 119.269 119.914 0.016 0.000 2.649 102 V HA 0.252 4.372 4.120 0.000 0.000 0.292 102 V C 0.181 176.276 176.094 0.001 0.000 1.055 102 V CA -0.787 61.523 62.300 0.016 0.000 1.023 102 V CB 1.560 33.376 31.823 -0.011 0.000 0.992 102 V HN 0.613 nan 8.190 nan 0.000 0.480 103 D N 3.107 123.515 120.400 0.013 0.000 2.396 103 D HA 0.400 5.040 4.640 0.000 0.000 0.225 103 D C 1.215 177.492 176.300 -0.038 0.000 1.121 103 D CA 0.322 54.319 54.000 -0.005 0.000 0.853 103 D CB 1.833 42.642 40.800 0.016 0.000 1.043 103 D HN 0.785 nan 8.370 nan 0.000 0.500 104 A N 3.649 126.421 122.820 -0.081 0.000 1.984 104 A HA -0.313 4.007 4.320 0.000 0.000 0.224 104 A C 2.161 179.619 177.584 -0.210 0.000 1.256 104 A CA 2.651 54.586 52.037 -0.169 0.000 0.679 104 A CB -0.579 18.308 19.000 -0.189 0.000 0.829 104 A HN 0.599 nan 8.150 nan 0.000 0.483 105 S N -0.717 114.918 115.700 -0.108 0.000 2.325 105 S HA -0.051 4.419 4.470 0.000 0.000 0.214 105 S C 1.421 176.053 174.600 0.054 0.000 1.031 105 S CA 1.170 59.362 58.200 -0.014 0.000 0.972 105 S CB -0.280 62.944 63.200 0.040 0.000 0.908 105 S HN 0.537 nan 8.310 nan 0.000 0.453 106 K N 2.048 122.478 120.400 0.050 0.000 3.225 106 K HA 0.175 4.495 4.320 0.000 0.000 0.282 106 K C -0.394 176.285 176.600 0.131 0.000 1.060 106 K CA -0.177 56.162 56.287 0.088 0.000 1.186 106 K CB -0.112 32.431 32.500 0.072 0.000 1.214 106 K HN 0.226 nan 8.250 nan 0.000 0.428 107 V N 4.243 124.197 119.914 0.067 0.000 1.909 107 V HA -0.079 4.041 4.120 0.000 0.000 0.253 107 V C 0.655 176.733 176.094 -0.028 0.000 1.734 107 V CA -0.304 61.997 62.300 0.002 0.000 1.661 107 V CB -1.926 29.863 31.823 -0.055 0.000 1.552 107 V HN 0.554 nan 8.190 nan 0.000 0.506 108 H N 2.751 121.826 119.070 0.008 0.000 3.193 108 H HA -0.055 4.501 4.556 0.000 0.000 0.306 108 H C -1.997 173.335 175.328 0.007 0.000 0.960 108 H CA -1.700 54.354 56.048 0.009 0.000 1.375 108 H CB -0.176 29.589 29.762 0.006 0.000 1.321 108 H HN 0.333 nan 8.280 nan 0.000 0.578 109 P HA 0.090 nan 4.420 nan 0.000 0.271 109 P C 0.289 177.572 177.300 -0.029 0.000 1.601 109 P CA 0.396 63.478 63.100 -0.031 0.000 0.856 109 P CB -0.549 31.156 31.700 0.008 0.000 1.820 110 G N -0.703 108.038 108.800 -0.098 0.000 2.533 110 G HA2 0.405 4.365 3.960 0.000 0.000 0.304 110 G HA3 0.405 4.365 3.960 0.000 0.000 0.304 110 G C -0.910 173.938 174.900 -0.087 0.000 1.263 110 G CA -0.509 44.585 45.100 -0.009 0.000 0.964 110 G HN -0.058 nan 8.290 nan 0.000 0.479 111 V N 0.748 120.654 119.914 -0.014 0.000 2.599 111 V HA 0.131 4.251 4.120 0.000 0.000 0.300 111 V C 0.552 176.650 176.094 0.007 0.000 1.034 111 V CA 0.726 63.016 62.300 -0.016 0.000 1.115 111 V CB 0.741 32.568 31.823 0.006 0.000 0.934 111 V HN 0.603 nan 8.190 nan 0.000 0.485 112 I N 3.719 124.280 120.570 -0.015 0.000 4.026 112 I HA 0.252 4.422 4.170 0.000 0.000 0.324 112 I C 0.314 176.441 176.117 0.017 0.000 1.474 112 I CA 0.189 61.502 61.300 0.022 0.000 1.107 112 I CB 0.297 38.298 38.000 0.002 0.000 1.345 112 I HN 0.736 nan 8.210 nan 0.000 0.531 113 S N -1.109 114.597 115.700 0.011 0.000 2.660 113 S HA 0.735 5.205 4.470 0.000 0.000 0.264 113 S C -0.373 174.238 174.600 0.018 0.000 1.131 113 S CA -0.392 57.818 58.200 0.017 0.000 0.846 113 S CB 0.829 64.042 63.200 0.021 0.000 1.151 113 S HN 0.100 nan 8.310 nan 0.000 0.486 114 G N -0.499 108.316 108.800 0.025 0.000 3.175 114 G HA2 0.614 4.574 3.960 0.000 0.000 0.153 114 G HA3 0.614 4.574 3.960 0.000 0.000 0.153 114 G C 0.296 175.223 174.900 0.045 0.000 1.216 114 G CA -0.078 45.039 45.100 0.028 0.000 0.943 114 G HN 1.039 nan 8.290 nan 0.000 0.611 115 L N 0.147 121.402 121.223 0.053 0.000 2.269 115 L HA 0.230 4.570 4.340 0.000 0.000 0.200 115 L C 2.157 179.090 176.870 0.106 0.000 1.069 115 L CA 1.619 56.511 54.840 0.088 0.000 0.804 115 L CB -0.404 41.701 42.059 0.075 0.000 0.987 115 L HN 0.556 nan 8.230 nan 0.000 0.468 116 N N -0.336 118.393 118.700 0.050 0.000 2.424 116 N HA -0.029 4.711 4.740 0.000 0.000 0.178 116 N C 0.507 176.009 175.510 -0.013 0.000 1.060 116 N CA 0.652 53.704 53.050 0.003 0.000 0.901 116 N CB -0.767 37.716 38.487 -0.006 0.000 0.979 116 N HN 0.462 nan 8.380 nan 0.000 0.451 117 S N 1.688 117.395 115.700 0.011 0.000 2.563 117 S HA 0.171 4.641 4.470 0.000 0.000 0.294 117 S C -2.461 172.140 174.600 0.002 0.000 1.279 117 S CA -1.007 57.197 58.200 0.007 0.000 1.069 117 S CB -0.002 63.208 63.200 0.018 0.000 0.828 117 S HN 0.094 nan 8.310 nan 0.000 0.497 118 P HA 0.526 nan 4.420 nan 0.000 0.269 118 P C -0.638 176.670 177.300 0.013 0.000 1.215 118 P CA -0.134 62.960 63.100 -0.009 0.000 0.780 118 P CB 0.639 32.331 31.700 -0.013 0.000 0.898 119 A N 1.127 123.962 122.820 0.025 0.000 2.601 119 A HA 0.728 5.048 4.320 0.000 0.000 0.291 119 A C -1.104 176.506 177.584 0.044 0.000 1.075 119 A CA -0.325 51.733 52.037 0.036 0.000 0.671 119 A CB 0.767 19.796 19.000 0.047 0.000 1.277 119 A HN 0.780 nan 8.150 nan 0.000 0.417 120 c N -0.475 118.146 118.600 0.035 0.000 3.285 120 c HA 0.872 5.442 4.570 0.000 0.000 0.325 120 c C -0.869 173.234 174.090 0.022 0.000 1.304 120 c CA -0.783 55.569 56.329 0.038 0.000 1.319 120 c CB 0.529 43.055 42.510 0.027 0.000 1.640 120 c HN 1.011 nan 8.230 nan 0.000 0.477 121 M N 2.121 121.734 119.600 0.021 0.000 2.436 121 M HA 0.513 4.993 4.480 0.000 0.000 0.331 121 M C -0.591 175.710 176.300 0.001 0.000 1.135 121 M CA -0.564 54.735 55.300 -0.000 0.000 0.987 121 M CB 1.766 34.353 32.600 -0.021 0.000 1.687 121 M HN 0.664 nan 8.290 nan 0.000 0.445 122 L N 1.609 122.826 121.223 -0.009 0.000 2.455 122 L HA 0.108 4.448 4.340 0.000 0.000 0.272 122 L C 1.167 178.033 176.870 -0.006 0.000 1.174 122 L CA -0.130 54.705 54.840 -0.008 0.000 0.869 122 L CB 0.840 42.892 42.059 -0.010 0.000 1.130 122 L HN 0.866 nan 8.230 nan 0.000 0.474 123 S N 2.187 117.885 115.700 -0.004 0.000 2.355 123 S HA -0.175 4.295 4.470 0.000 0.000 0.222 123 S C 2.081 176.681 174.600 -0.000 0.000 1.031 123 S CA 1.113 59.316 58.200 0.004 0.000 0.993 123 S CB -0.176 63.019 63.200 -0.008 0.000 0.859 123 S HN 0.833 nan 8.310 nan 0.000 0.453 124 A N 2.845 125.659 122.820 -0.011 0.000 1.896 124 A HA -0.157 4.163 4.320 0.000 0.000 0.220 124 A C 0.483 178.060 177.584 -0.012 0.000 1.206 124 A CA 2.120 54.148 52.037 -0.015 0.000 0.647 124 A CB -1.843 17.148 19.000 -0.015 0.000 0.828 124 A HN 0.538 nan 8.150 nan 0.000 0.455 125 P HA -0.034 nan 4.420 nan 0.000 0.217 125 P C 1.757 179.039 177.300 -0.031 0.000 1.154 125 P CA 0.969 64.053 63.100 -0.025 0.000 0.841 125 P CB -0.182 31.496 31.700 -0.037 0.000 0.790 126 L N 0.914 122.121 121.223 -0.026 0.000 2.013 126 L HA -0.183 4.157 4.340 0.000 0.000 0.212 126 L C 2.587 179.499 176.870 0.069 0.000 1.073 126 L CA 2.203 57.035 54.840 -0.014 0.000 0.753 126 L CB -1.452 40.612 42.059 0.008 0.000 0.890 126 L HN -0.121 nan 8.230 nan 0.000 0.432 127 E N -0.110 120.147 120.200 0.095 0.000 2.031 127 E HA -0.280 4.070 4.350 0.000 0.000 0.193 127 E C 2.302 179.012 176.600 0.184 0.000 0.994 127 E CA 1.708 58.213 56.400 0.174 0.000 0.800 127 E CB -0.295 29.445 29.700 0.066 0.000 0.752 127 E HN 0.452 nan 8.360 nan 0.000 0.447 128 K N -0.145 120.292 120.400 0.063 0.000 2.281 128 K HA -0.230 4.090 4.320 0.000 0.000 0.203 128 K C 2.182 178.834 176.600 0.088 0.000 1.046 128 K CA 1.524 57.825 56.287 0.022 0.000 0.938 128 K CB -0.028 32.458 32.500 -0.023 0.000 0.737 128 K HN 0.184 nan 8.250 nan 0.000 0.458 129 Q N 0.070 119.915 119.800 0.076 0.000 2.123 129 Q HA -0.005 4.335 4.340 0.000 0.000 0.196 129 Q C 2.042 178.102 176.000 0.100 0.000 0.958 129 Q CA 0.633 56.466 55.803 0.050 0.000 0.841 129 Q CB 0.152 28.826 28.738 -0.107 0.000 0.915 129 Q HN 0.296 nan 8.270 nan 0.000 0.455 130 L N -0.425 120.891 121.223 0.156 0.000 1.976 130 L HA -0.125 4.215 4.340 0.000 0.000 0.209 130 L C 0.706 177.604 176.870 0.046 0.000 1.071 130 L CA 0.900 55.824 54.840 0.140 0.000 0.746 130 L CB -0.243 41.969 42.059 0.255 0.000 0.890 130 L HN 0.184 nan 8.230 nan 0.000 0.432 131 F N -0.598 119.421 119.950 0.116 0.000 2.733 131 F HA 0.027 4.554 4.527 0.000 0.000 0.344 131 F C 1.284 177.148 175.800 0.106 0.000 1.179 131 F CA -0.417 57.658 58.000 0.125 0.000 1.316 131 F CB -0.897 38.171 39.000 0.114 0.000 1.577 131 F HN 0.026 nan 8.300 nan 0.000 0.591 132 Y N 0.248 120.559 120.300 0.019 0.000 2.286 132 Y HA -0.018 4.532 4.550 0.000 0.000 0.293 132 Y C 0.457 176.352 175.900 -0.007 0.000 1.124 132 Y CA 0.440 58.491 58.100 -0.082 0.000 1.178 132 Y CB -0.488 37.785 38.460 -0.312 0.000 1.010 132 Y HN 0.136 nan 8.280 nan 0.000 0.536 133 Y N 1.315 121.594 120.300 -0.036 0.000 2.397 133 Y HA 0.312 4.862 4.550 0.000 0.000 0.335 133 Y C 0.110 175.971 175.900 -0.065 0.000 1.213 133 Y CA -0.465 57.538 58.100 -0.162 0.000 1.391 133 Y CB 0.494 38.891 38.460 -0.104 0.000 1.293 133 Y HN -0.191 nan 8.280 nan 0.000 0.557 134 I N 1.123 121.706 120.570 0.022 0.000 2.648 134 I HA 0.732 4.902 4.170 0.000 0.000 0.304 134 I C 0.529 176.638 176.117 -0.013 0.000 1.009 134 I CA -0.328 60.916 61.300 -0.093 0.000 1.114 134 I CB 2.031 39.893 38.000 -0.230 0.000 1.293 134 I HN 0.816 nan 8.210 nan 0.000 0.449 135 G N 2.217 111.010 108.800 -0.012 0.000 2.696 135 G HA2 0.494 4.454 3.960 0.000 0.000 0.151 135 G HA3 0.494 4.454 3.960 0.000 0.000 0.151 135 G C -1.399 173.517 174.900 0.025 0.000 1.197 135 G CA -0.265 44.852 45.100 0.027 0.000 1.053 135 G HN 0.418 nan 8.290 nan 0.000 0.546 136 T N 1.746 116.325 114.554 0.042 0.000 3.089 136 T HA 0.275 4.625 4.350 0.000 0.000 0.340 136 T C 1.015 175.741 174.700 0.044 0.000 1.008 136 T CA -0.570 61.556 62.100 0.043 0.000 1.096 136 T CB 1.343 70.235 68.868 0.040 0.000 1.024 136 T HN 0.259 nan 8.240 nan 0.000 0.477 137 M N 1.684 121.309 119.600 0.041 0.000 2.213 137 M HA 0.105 4.585 4.480 0.000 0.000 0.263 137 M C 0.512 176.837 176.300 0.042 0.000 1.062 137 M CA 1.327 56.638 55.300 0.018 0.000 1.105 137 M CB -0.746 31.877 32.600 0.038 0.000 1.385 137 M HN 0.506 nan 8.290 nan 0.000 0.417 138 L N 1.416 122.682 121.223 0.072 0.000 2.324 138 L HA 0.335 4.675 4.340 0.000 0.000 0.274 138 L C -1.968 174.991 176.870 0.149 0.000 1.012 138 L CA -1.844 53.067 54.840 0.119 0.000 0.859 138 L CB 0.926 43.056 42.059 0.118 0.000 1.224 138 L HN -0.037 nan 8.230 nan 0.000 0.429 139 P HA 0.021 nan 4.420 nan 0.000 0.288 139 P C -0.363 176.974 177.300 0.062 0.000 1.291 139 P CA -0.252 62.899 63.100 0.085 0.000 0.766 139 P CB 1.040 32.761 31.700 0.034 0.000 1.242 140 N N -1.552 117.146 118.700 -0.003 0.000 2.273 140 N HA 0.052 4.792 4.740 0.000 0.000 0.231 140 N C -0.241 175.217 175.510 -0.086 0.000 1.134 140 N CA -0.113 52.922 53.050 -0.025 0.000 0.856 140 N CB -0.546 37.929 38.487 -0.019 0.000 1.068 140 N HN 0.400 nan 8.380 nan 0.000 0.510 141 T N -2.373 112.102 114.554 -0.133 0.000 2.918 141 T HA 0.172 4.522 4.350 0.000 0.000 0.302 141 T C 1.526 176.075 174.700 -0.251 0.000 1.045 141 T CA -0.376 61.601 62.100 -0.206 0.000 1.114 141 T CB 1.168 69.847 68.868 -0.316 0.000 0.965 141 T HN 0.119 nan 8.240 nan 0.000 0.540 142 R N 2.188 122.529 120.500 -0.265 0.000 2.136 142 R HA -0.103 4.237 4.340 0.000 0.000 0.242 142 R C -0.401 175.538 176.300 -0.601 0.000 1.131 142 R CA 2.137 57.968 56.100 -0.449 0.000 0.937 142 R CB -1.845 28.297 30.300 -0.263 0.000 0.863 142 R HN 0.674 nan 8.270 nan 0.000 0.435 143 P HA -0.206 nan 4.420 nan 0.000 0.212 143 P C 0.825 178.125 177.300 -0.001 0.000 1.178 143 P CA 1.786 64.849 63.100 -0.063 0.000 0.915 143 P CB -0.408 31.313 31.700 0.035 0.000 0.788 144 H N -0.385 118.631 119.070 -0.091 0.000 2.353 144 H HA -0.036 4.520 4.556 0.000 0.000 0.300 144 H C 2.351 177.639 175.328 -0.067 0.000 1.090 144 H CA 0.950 56.984 56.048 -0.023 0.000 1.327 144 H CB -0.408 29.413 29.762 0.098 0.000 1.383 144 H HN 0.145 nan 8.280 nan 0.000 0.508 145 S N 0.335 116.032 115.700 -0.005 0.000 2.462 145 S HA -0.166 4.304 4.470 0.000 0.000 0.243 145 S C 1.305 175.918 174.600 0.021 0.000 1.003 145 S CA 1.018 59.191 58.200 -0.044 0.000 0.970 145 S CB -0.230 62.884 63.200 -0.144 0.000 0.762 145 S HN 0.397 nan 8.310 nan 0.000 0.510 146 Y N -0.068 120.214 120.300 -0.031 0.000 2.448 146 Y HA 0.177 4.727 4.550 0.000 0.000 0.289 146 Y C 2.140 177.979 175.900 -0.102 0.000 1.114 146 Y CA -0.512 57.574 58.100 -0.024 0.000 1.235 146 Y CB -0.535 37.941 38.460 0.026 0.000 1.045 146 Y HN 0.089 nan 8.280 nan 0.000 0.554 147 V N -1.862 117.901 119.914 -0.251 0.000 2.602 147 V HA 0.024 4.144 4.120 0.000 0.000 0.235 147 V C 0.392 176.117 176.094 -0.616 0.000 1.087 147 V CA 0.379 62.192 62.300 -0.811 0.000 1.117 147 V CB -0.356 30.621 31.823 -1.411 0.000 0.820 147 V HN -0.147 nan 8.190 nan 0.000 0.490 148 F N -1.272 118.561 119.950 -0.194 0.000 2.368 148 F HA 0.484 5.011 4.527 0.000 0.000 0.315 148 F C -0.200 175.542 175.800 -0.096 0.000 1.145 148 F CA -1.151 56.779 58.000 -0.118 0.000 1.095 148 F CB 0.071 39.031 39.000 -0.066 0.000 1.286 148 F HN -0.031 nan 8.300 nan 0.000 0.530 149 Y N 1.249 121.690 120.300 0.235 0.000 2.341 149 Y HA 0.183 4.733 4.550 0.000 0.000 0.340 149 Y C 0.212 176.187 175.900 0.126 0.000 0.997 149 Y CA -0.739 57.445 58.100 0.139 0.000 1.149 149 Y CB 0.514 39.036 38.460 0.104 0.000 1.171 149 Y HN 0.352 nan 8.280 nan 0.000 0.494 150 Q N 3.492 123.447 119.800 0.258 0.000 2.859 150 Q HA -0.109 4.231 4.340 0.000 0.000 0.364 150 Q C -0.823 175.274 176.000 0.162 0.000 1.067 150 Q CA 0.680 56.589 55.803 0.177 0.000 1.162 150 Q CB 0.329 29.149 28.738 0.137 0.000 1.023 150 Q HN 0.553 nan 8.270 nan 0.000 0.415 151 L N 3.275 124.578 121.223 0.132 0.000 2.354 151 L HA 0.581 4.921 4.340 0.000 0.000 0.269 151 L C -0.782 176.137 176.870 0.083 0.000 1.005 151 L CA -0.404 54.504 54.840 0.113 0.000 0.819 151 L CB 1.876 44.014 42.059 0.132 0.000 1.311 151 L HN 0.613 nan 8.230 nan 0.000 0.423 152 R N 4.460 124.998 120.500 0.064 0.000 2.518 152 R HA 0.700 5.040 4.340 0.000 0.000 0.296 152 R C -1.946 174.360 176.300 0.010 0.000 1.080 152 R CA -0.350 55.769 56.100 0.031 0.000 0.922 152 R CB 0.849 31.158 30.300 0.015 0.000 1.184 152 R HN 0.934 nan 8.270 nan 0.000 0.445 153 C N 0.390 119.690 119.300 0.001 0.000 3.318 153 C HA 0.537 4.997 4.460 0.000 0.000 0.322 153 C C -0.220 174.759 174.990 -0.018 0.000 1.398 153 C CA -1.243 57.769 59.018 -0.009 0.000 1.339 153 C CB 1.379 29.162 27.740 0.072 0.000 1.668 153 C HN 0.770 nan 8.230 nan 0.000 0.462 154 H N 1.196 120.312 119.070 0.076 0.000 3.001 154 H HA 0.425 4.981 4.556 0.000 0.000 0.334 154 H C -0.086 175.391 175.328 0.248 0.000 1.034 154 H CA 1.047 57.176 56.048 0.135 0.000 1.420 154 H CB 0.562 30.412 29.762 0.145 0.000 1.405 154 H HN 0.614 nan 8.280 nan 0.000 0.593 155 L N 0.110 121.555 121.223 0.371 0.000 2.598 155 L HA 0.691 5.031 4.340 0.000 0.000 0.246 155 L C -0.498 176.439 176.870 0.111 0.000 1.124 155 L CA -1.065 53.987 54.840 0.354 0.000 1.019 155 L CB 0.767 42.916 42.059 0.150 0.000 1.583 155 L HN 0.614 nan 8.230 nan 0.000 0.386 156 S N -1.299 114.376 115.700 -0.043 0.000 2.556 156 S HA 0.777 5.247 4.470 0.000 0.000 0.280 156 S C -1.557 172.930 174.600 -0.188 0.000 1.141 156 S CA -0.615 57.436 58.200 -0.248 0.000 0.883 156 S CB 0.922 63.919 63.200 -0.338 0.000 1.103 156 S HN 1.519 nan 8.310 nan 0.000 0.453 157 Y N -0.695 119.516 120.300 -0.149 0.000 2.665 157 Y HA 0.903 5.453 4.550 0.000 0.000 0.336 157 Y C -1.243 174.506 175.900 -0.251 0.000 1.085 157 Y CA -1.972 56.012 58.100 -0.194 0.000 1.096 157 Y CB 0.677 39.023 38.460 -0.190 0.000 1.301 157 Y HN 0.577 nan 8.280 nan 0.000 0.493 158 V N 1.485 121.425 119.914 0.043 0.000 2.357 158 V HA 0.763 4.883 4.120 0.000 0.000 0.281 158 V C 0.123 176.144 176.094 -0.122 0.000 1.015 158 V CA -0.870 61.377 62.300 -0.089 0.000 0.827 158 V CB 0.218 31.933 31.823 -0.180 0.000 1.018 158 V HN 1.111 nan 8.190 nan 0.000 0.432 159 A N 4.852 127.634 122.820 -0.065 0.000 2.371 159 A HA 0.826 5.146 4.320 0.000 0.000 0.257 159 A C -0.753 176.796 177.584 -0.058 0.000 1.089 159 A CA -0.112 51.837 52.037 -0.148 0.000 0.794 159 A CB 0.929 19.841 19.000 -0.147 0.000 1.029 159 A HN 0.842 nan 8.150 nan 0.000 0.488 160 L N 1.187 122.375 121.223 -0.057 0.000 2.472 160 L HA 0.714 5.054 4.340 0.000 0.000 0.260 160 L C -0.470 176.402 176.870 0.003 0.000 0.963 160 L CA 0.216 55.074 54.840 0.031 0.000 0.829 160 L CB 2.293 44.434 42.059 0.136 0.000 1.348 160 L HN 0.680 nan 8.230 nan 0.000 0.408 161 S N 4.727 120.446 115.700 0.032 0.000 2.706 161 S HA 0.815 5.285 4.470 0.000 0.000 0.270 161 S C -1.262 173.375 174.600 0.061 0.000 1.163 161 S CA -0.560 57.658 58.200 0.030 0.000 1.042 161 S CB 0.362 63.564 63.200 0.002 0.000 1.079 161 S HN 0.427 nan 8.310 nan 0.000 0.474 162 I N 3.137 123.772 120.570 0.109 0.000 3.067 162 I HA 0.549 4.719 4.170 0.000 0.000 0.312 162 I C 0.737 176.896 176.117 0.070 0.000 1.073 162 I CA -0.881 60.465 61.300 0.077 0.000 1.016 162 I CB 1.119 39.140 38.000 0.036 0.000 1.227 162 I HN 0.769 nan 8.210 nan 0.000 0.456 163 N N 2.057 120.767 118.700 0.016 0.000 2.678 163 N HA -0.186 4.554 4.740 0.000 0.000 0.249 163 N C 0.592 176.108 175.510 0.010 0.000 1.119 163 N CA 1.394 54.443 53.050 -0.003 0.000 0.718 163 N CB -1.170 37.304 38.487 -0.022 0.000 1.060 163 N HN 1.137 nan 8.380 nan 0.000 0.552 164 G N 0.402 109.211 108.800 0.016 0.000 2.415 164 G HA2 -0.240 3.720 3.960 0.000 0.000 0.283 164 G HA3 -0.240 3.720 3.960 0.000 0.000 0.283 164 G C 0.147 175.052 174.900 0.007 0.000 1.014 164 G CA 0.196 45.301 45.100 0.009 0.000 1.323 164 G HN 0.531 nan 8.290 nan 0.000 0.502 165 D N -1.368 119.038 120.400 0.010 0.000 3.070 165 D HA -0.187 4.453 4.640 0.000 0.000 0.220 165 D C 1.628 177.930 176.300 0.003 0.000 1.176 165 D CA 1.805 55.803 54.000 -0.004 0.000 0.924 165 D CB -0.334 40.455 40.800 -0.019 0.000 1.124 165 D HN 0.750 nan 8.370 nan 0.000 0.411 166 K N -0.855 119.565 120.400 0.032 0.000 2.400 166 K HA 0.083 4.403 4.320 0.000 0.000 0.194 166 K C 0.556 177.226 176.600 0.116 0.000 1.033 166 K CA 0.307 56.620 56.287 0.042 0.000 1.021 166 K CB 0.565 33.080 32.500 0.024 0.000 0.808 166 K HN 0.171 nan 8.250 nan 0.000 0.505 167 F N 1.584 121.506 119.950 -0.047 0.000 2.615 167 F HA 0.171 4.698 4.527 0.000 0.000 0.312 167 F C -1.944 173.852 175.800 -0.005 0.000 1.119 167 F CA -0.688 57.294 58.000 -0.030 0.000 0.979 167 F CB 1.546 40.501 39.000 -0.075 0.000 1.266 167 F HN -0.120 nan 8.300 nan 0.000 0.444 168 Q N 4.941 124.324 119.800 -0.695 0.000 2.391 168 Q HA 0.436 4.776 4.340 0.000 0.000 0.279 168 Q C -2.334 173.436 176.000 -0.383 0.000 1.028 168 Q CA -1.055 54.515 55.803 -0.388 0.000 0.836 168 Q CB 3.079 31.696 28.738 -0.203 0.000 1.414 168 Q HN 0.707 nan 8.270 nan 0.000 0.397 169 Y N 0.441 120.581 120.300 -0.266 0.000 2.499 169 Y HA 0.675 5.225 4.550 0.000 0.000 0.347 169 Y C -1.494 174.324 175.900 -0.138 0.000 0.987 169 Y CA -0.583 57.427 58.100 -0.150 0.000 1.044 169 Y CB 2.784 41.270 38.460 0.043 0.000 1.245 169 Y HN 0.757 nan 8.280 nan 0.000 0.461 170 T N 3.880 117.893 114.554 -0.902 0.000 2.890 170 T HA 0.401 4.751 4.350 0.000 0.000 0.295 170 T C -0.140 174.004 174.700 -0.927 0.000 0.993 170 T CA -0.425 61.214 62.100 -0.769 0.000 0.979 170 T CB 1.079 69.685 68.868 -0.436 0.000 0.967 170 T HN 0.944 nan 8.240 nan 0.000 0.441 171 G N 2.225 110.604 108.800 -0.702 0.000 3.506 171 G HA2 0.506 4.466 3.960 0.000 0.000 0.268 171 G HA3 0.506 4.466 3.960 0.000 0.000 0.268 171 G C 0.406 175.227 174.900 -0.132 0.000 0.959 171 G CA -0.571 44.311 45.100 -0.363 0.000 1.823 171 G HN 0.976 nan 8.290 nan 0.000 0.615 172 A N 2.872 125.619 122.820 -0.122 0.000 2.454 172 A HA 0.677 4.997 4.320 0.000 0.000 0.260 172 A C 0.347 177.872 177.584 -0.099 0.000 1.106 172 A CA -0.091 51.915 52.037 -0.051 0.000 0.780 172 A CB -0.017 18.947 19.000 -0.060 0.000 1.044 172 A HN 0.970 nan 8.150 nan 0.000 0.498 173 M N 1.787 121.345 119.600 -0.070 0.000 2.470 173 M HA 0.691 5.171 4.480 0.000 0.000 0.285 173 M C -0.689 175.655 176.300 0.074 0.000 1.213 173 M CA -0.443 54.798 55.300 -0.099 0.000 0.901 173 M CB 1.921 34.558 32.600 0.062 0.000 1.718 173 M HN 0.496 nan 8.290 nan 0.000 0.469 174 T N -0.484 114.058 114.554 -0.021 0.000 2.807 174 T HA 0.484 4.834 4.350 0.000 0.000 0.277 174 T C 0.966 175.790 174.700 0.206 0.000 1.006 174 T CA 0.110 62.302 62.100 0.153 0.000 1.006 174 T CB 1.490 70.254 68.868 -0.173 0.000 1.274 174 T HN 0.940 nan 8.240 nan 0.000 0.569 175 S N 0.236 115.745 115.700 -0.317 0.000 2.547 175 S HA 0.066 4.537 4.470 0.000 0.000 0.235 175 S C 1.274 175.979 174.600 0.175 0.000 0.980 175 S CA 0.709 58.702 58.200 -0.345 0.000 0.941 175 S CB -0.285 62.539 63.200 -0.628 0.000 0.763 175 S HN 0.683 nan 8.310 nan 0.000 0.532 176 K N -0.260 120.315 120.400 0.291 0.000 2.424 176 K HA 0.322 4.642 4.320 0.000 0.000 0.198 176 K C -0.174 176.775 176.600 0.581 0.000 1.190 176 K CA 0.199 56.766 56.287 0.467 0.000 0.935 176 K CB 0.767 33.474 32.500 0.344 0.000 1.087 176 K HN 0.591 nan 8.250 nan 0.000 0.524 177 F N -0.383 119.674 119.950 0.178 0.000 2.654 177 F HA 0.548 5.075 4.527 0.000 0.000 0.308 177 F C -1.568 173.910 175.800 -0.537 0.000 1.108 177 F CA -1.689 56.173 58.000 -0.230 0.000 0.957 177 F CB 0.937 39.846 39.000 -0.152 0.000 1.309 177 F HN -0.294 nan 8.300 nan 0.000 0.446 178 L N 4.217 124.955 121.223 -0.809 0.000 2.331 178 L HA 0.745 5.085 4.340 0.000 0.000 0.275 178 L C -1.125 175.734 176.870 -0.019 0.000 1.022 178 L CA -0.688 53.825 54.840 -0.544 0.000 0.812 178 L CB 1.855 43.547 42.059 -0.612 0.000 1.257 178 L HN 0.920 nan 8.230 nan 0.000 0.435 179 M N 4.629 124.232 119.600 0.005 0.000 2.060 179 M HA 0.387 4.867 4.480 0.000 0.000 0.231 179 M C -0.673 175.661 176.300 0.058 0.000 0.936 179 M CA -0.241 55.118 55.300 0.099 0.000 0.981 179 M CB 0.645 33.299 32.600 0.090 0.000 2.216 179 M HN 0.836 nan 8.290 nan 0.000 0.399 180 G N 2.179 111.078 108.800 0.165 0.000 2.444 180 G HA2 0.585 4.545 3.960 0.000 0.000 0.268 180 G HA3 0.585 4.545 3.960 0.000 0.000 0.268 180 G C -0.281 174.595 174.900 -0.040 0.000 1.203 180 G CA -0.102 45.059 45.100 0.102 0.000 0.835 180 G HN 0.631 nan 8.290 nan 0.000 0.543 181 T N -1.154 113.328 114.554 -0.120 0.000 2.861 181 T HA 0.580 4.930 4.350 0.000 0.000 0.287 181 T C -1.120 173.501 174.700 -0.132 0.000 1.003 181 T CA -0.763 61.260 62.100 -0.128 0.000 0.977 181 T CB 1.388 70.257 68.868 0.001 0.000 0.996 181 T HN 0.323 nan 8.240 nan 0.000 0.448 182 Y N 1.327 121.609 120.300 -0.029 0.000 2.352 182 Y HA 0.701 5.251 4.550 0.000 0.000 0.326 182 Y C 0.559 176.443 175.900 -0.026 0.000 1.166 182 Y CA -1.267 56.768 58.100 -0.109 0.000 1.182 182 Y CB 1.726 39.997 38.460 -0.314 0.000 1.216 182 Y HN 0.753 nan 8.280 nan 0.000 0.474 183 K N 3.568 123.978 120.400 0.016 0.000 2.615 183 K HA 0.419 4.739 4.320 0.000 0.000 0.249 183 K C -1.231 175.314 176.600 -0.091 0.000 0.977 183 K CA -0.671 55.613 56.287 -0.005 0.000 0.833 183 K CB 1.359 33.788 32.500 -0.118 0.000 1.208 183 K HN 0.774 nan 8.250 nan 0.000 0.443 184 R N 2.836 123.395 120.500 0.098 0.000 2.873 184 R HA 0.676 5.016 4.340 0.000 0.000 0.264 184 R C -1.456 174.876 176.300 0.053 0.000 1.026 184 R CA -0.706 55.476 56.100 0.136 0.000 1.002 184 R CB 1.958 32.348 30.300 0.150 0.000 1.174 184 R HN 0.340 nan 8.270 nan 0.000 0.488 185 V N 1.915 121.857 119.914 0.047 0.000 2.612 185 V HA 0.238 4.358 4.120 0.000 0.000 0.301 185 V C -0.030 176.072 176.094 0.013 0.000 1.059 185 V CA -0.838 61.466 62.300 0.007 0.000 0.886 185 V CB 1.877 33.692 31.823 -0.013 0.000 1.007 185 V HN 0.910 nan 8.190 nan 0.000 0.426 186 T N 2.434 117.001 114.554 0.021 0.000 2.698 186 T HA 0.113 4.463 4.350 0.000 0.000 0.295 186 T C 1.315 176.015 174.700 -0.001 0.000 1.007 186 T CA -0.499 61.615 62.100 0.022 0.000 0.980 186 T CB 0.635 69.533 68.868 0.051 0.000 1.036 186 T HN 0.732 nan 8.240 nan 0.000 0.526 187 E N 0.284 120.482 120.200 -0.003 0.000 2.171 187 E HA -0.092 4.258 4.350 0.000 0.000 0.197 187 E C 0.857 177.451 176.600 -0.010 0.000 0.997 187 E CA 1.221 57.615 56.400 -0.009 0.000 0.810 187 E CB -0.109 29.586 29.700 -0.008 0.000 0.738 187 E HN 0.489 nan 8.360 nan 0.000 0.467 188 K N -0.420 119.975 120.400 -0.008 0.000 2.179 188 K HA 0.320 4.640 4.320 0.000 0.000 0.238 188 K C 1.159 177.745 176.600 -0.024 0.000 1.033 188 K CA 0.235 56.514 56.287 -0.013 0.000 0.926 188 K CB 0.785 33.279 32.500 -0.009 0.000 1.151 188 K HN 0.014 nan 8.250 nan 0.000 0.492 189 G N 1.036 109.819 108.800 -0.028 0.000 3.028 189 G HA2 -0.087 3.873 3.960 0.000 0.000 0.205 189 G HA3 -0.087 3.873 3.960 0.000 0.000 0.205 189 G C -0.358 174.506 174.900 -0.060 0.000 1.182 189 G CA 0.079 45.156 45.100 -0.038 0.000 0.860 189 G HN 0.534 nan 8.290 nan 0.000 0.507 190 D N 0.633 120.989 120.400 -0.072 0.000 2.450 190 D HA 0.156 4.796 4.640 0.000 0.000 0.247 190 D C 0.134 176.313 176.300 -0.201 0.000 1.162 190 D CA 0.521 54.432 54.000 -0.148 0.000 0.879 190 D CB 1.015 41.733 40.800 -0.137 0.000 1.163 190 D HN 0.364 nan 8.370 nan 0.000 0.472 191 E N 2.546 122.600 120.200 -0.243 0.000 2.141 191 E HA 0.136 4.486 4.350 0.000 0.000 0.259 191 E C -0.872 175.573 176.600 -0.259 0.000 0.883 191 E CA -0.728 55.555 56.400 -0.194 0.000 0.744 191 E CB 0.482 30.113 29.700 -0.115 0.000 1.150 191 E HN 0.399 nan 8.360 nan 0.000 0.420 192 H N 2.655 121.691 119.070 -0.056 0.000 2.467 192 H HA 0.382 4.938 4.556 0.000 0.000 0.326 192 H C -0.304 174.942 175.328 -0.138 0.000 1.094 192 H CA -0.547 55.394 56.048 -0.178 0.000 1.253 192 H CB 1.514 31.232 29.762 -0.074 0.000 1.439 192 H HN 0.337 nan 8.280 nan 0.000 0.479 193 V N 2.057 121.787 119.914 -0.307 0.000 2.841 193 V HA 0.652 4.772 4.120 0.000 0.000 0.310 193 V C -1.002 175.133 176.094 0.068 0.000 1.090 193 V CA -0.996 61.309 62.300 0.008 0.000 0.930 193 V CB 2.203 33.922 31.823 -0.173 0.000 1.014 193 V HN 0.461 nan 8.190 nan 0.000 0.425 194 L N 3.407 124.617 121.223 -0.022 0.000 2.526 194 L HA 0.949 5.289 4.340 0.000 0.000 0.263 194 L C -0.420 176.386 176.870 -0.106 0.000 0.943 194 L CA 0.117 54.888 54.840 -0.115 0.000 0.859 194 L CB 2.151 43.933 42.059 -0.462 0.000 1.313 194 L HN 1.191 nan 8.230 nan 0.000 0.406 195 S N 4.281 119.977 115.700 -0.006 0.000 2.599 195 S HA 0.888 5.358 4.470 0.000 0.000 0.294 195 S C -0.900 173.657 174.600 -0.072 0.000 1.094 195 S CA -0.910 57.255 58.200 -0.058 0.000 0.931 195 S CB 1.765 65.009 63.200 0.073 0.000 1.093 195 S HN 0.715 nan 8.310 nan 0.000 0.488 196 L N 1.555 122.675 121.223 -0.171 0.000 2.346 196 L HA 0.695 5.035 4.340 0.000 0.000 0.276 196 L C -1.244 175.626 176.870 -0.000 0.000 1.006 196 L CA -1.095 53.629 54.840 -0.192 0.000 0.817 196 L CB 2.079 43.727 42.059 -0.685 0.000 1.272 196 L HN 0.550 nan 8.230 nan 0.000 0.421 197 V N 2.543 122.532 119.914 0.124 0.000 2.407 197 V HA 0.423 4.543 4.120 0.000 0.000 0.291 197 V C -0.747 175.553 176.094 0.343 0.000 1.018 197 V CA -0.552 61.879 62.300 0.219 0.000 0.842 197 V CB 1.609 33.519 31.823 0.145 0.000 0.996 197 V HN 0.460 nan 8.190 nan 0.000 0.426 198 F N 3.229 123.326 119.950 0.245 0.000 2.522 198 F HA 0.982 5.509 4.527 0.000 0.000 0.324 198 F C 0.388 176.295 175.800 0.180 0.000 1.077 198 F CA 0.322 58.490 58.000 0.279 0.000 0.944 198 F CB 2.078 41.300 39.000 0.370 0.000 1.175 198 F HN 0.857 nan 8.300 nan 0.000 0.468 199 G N 3.632 112.015 108.800 -0.696 0.000 2.352 199 G HA2 0.124 4.084 3.960 0.000 0.000 0.302 199 G HA3 0.124 4.084 3.960 0.000 0.000 0.302 199 G C -1.884 172.924 174.900 -0.154 0.000 1.370 199 G CA -1.323 43.575 45.100 -0.337 0.000 0.918 199 G HN 0.650 nan 8.290 nan 0.000 0.610 200 K N 0.851 121.143 120.400 -0.179 0.000 2.447 200 K HA 0.242 4.562 4.320 0.000 0.000 0.281 200 K C 1.604 178.060 176.600 -0.240 0.000 1.031 200 K CA 0.515 56.561 56.287 -0.401 0.000 1.019 200 K CB 0.668 32.967 32.500 -0.335 0.000 0.918 200 K HN 0.518 nan 8.250 nan 0.000 0.476 201 T N 2.772 117.190 114.554 -0.226 0.000 2.751 201 T HA -0.257 4.093 4.350 0.000 0.000 0.268 201 T C 1.614 176.193 174.700 -0.202 0.000 1.045 201 T CA 2.041 64.020 62.100 -0.203 0.000 1.142 201 T CB -0.171 68.617 68.868 -0.134 0.000 0.851 201 T HN 0.650 nan 8.240 nan 0.000 0.474 202 K N 1.112 121.418 120.400 -0.157 0.000 2.365 202 K HA -0.006 4.314 4.320 0.000 0.000 0.199 202 K C 1.254 177.795 176.600 -0.098 0.000 1.045 202 K CA 1.308 57.530 56.287 -0.108 0.000 0.962 202 K CB 0.160 32.610 32.500 -0.083 0.000 0.759 202 K HN 0.168 nan 8.250 nan 0.000 0.469 203 D N 0.439 120.770 120.400 -0.115 0.000 2.349 203 D HA 0.068 4.708 4.640 0.000 0.000 0.214 203 D C -0.169 175.988 176.300 -0.237 0.000 1.063 203 D CA -0.097 53.854 54.000 -0.082 0.000 0.847 203 D CB 0.157 40.984 40.800 0.044 0.000 0.933 203 D HN 0.078 nan 8.370 nan 0.000 0.513 204 L N 2.143 123.156 121.223 -0.351 0.000 2.514 204 L HA 0.073 4.413 4.340 0.000 0.000 0.280 204 L C -1.677 174.981 176.870 -0.354 0.000 1.223 204 L CA -0.602 53.913 54.840 -0.542 0.000 0.864 204 L CB -0.582 40.974 42.059 -0.838 0.000 1.118 204 L HN -0.177 nan 8.230 nan 0.000 0.494 205 P HA -0.032 nan 4.420 nan 0.000 0.272 205 P C -1.100 176.298 177.300 0.163 0.000 1.239 205 P CA -0.074 62.885 63.100 -0.235 0.000 0.807 205 P CB 0.349 31.751 31.700 -0.497 0.000 0.951 206 D N 0.573 121.092 120.400 0.199 0.000 2.277 206 D HA 0.191 4.831 4.640 0.000 0.000 0.249 206 D C 0.122 176.648 176.300 0.377 0.000 1.134 206 D CA -0.072 54.095 54.000 0.278 0.000 0.863 206 D CB 0.526 41.457 40.800 0.218 0.000 1.143 206 D HN 0.185 nan 8.370 nan 0.000 0.458 207 L N 2.192 123.547 121.223 0.221 0.000 2.371 207 L HA 0.285 4.625 4.340 0.000 0.000 0.272 207 L C 1.860 178.821 176.870 0.152 0.000 1.124 207 L CA -0.424 54.451 54.840 0.058 0.000 0.816 207 L CB 1.288 43.267 42.059 -0.134 0.000 1.129 207 L HN 0.315 nan 8.230 nan 0.000 0.448 208 R N 1.940 122.398 120.500 -0.069 0.000 1.967 208 R HA 0.146 4.486 4.340 0.000 0.000 0.184 208 R C 1.062 177.339 176.300 -0.039 0.000 1.350 208 R CA 0.589 56.491 56.100 -0.330 0.000 1.232 208 R CB -0.521 29.397 30.300 -0.637 0.000 0.813 208 R HN 0.799 nan 8.270 nan 0.000 0.512 209 G N 0.505 109.306 108.800 0.001 0.000 2.466 209 G HA2 0.016 3.976 3.960 0.000 0.000 0.279 209 G HA3 0.016 3.976 3.960 0.000 0.000 0.279 209 G C -2.048 172.712 174.900 -0.234 0.000 1.410 209 G CA -0.767 44.260 45.100 -0.123 0.000 1.065 209 G HN 0.354 nan 8.290 nan 0.000 0.547 210 P HA 0.198 nan 4.420 nan 0.000 0.245 210 P C -1.094 175.793 177.300 -0.688 0.000 1.670 210 P CA 0.425 63.209 63.100 -0.526 0.000 1.146 210 P CB -0.477 30.870 31.700 -0.589 0.000 1.954 211 F N 0.534 120.406 119.950 -0.130 0.000 2.520 211 F HA 0.449 4.976 4.527 0.000 0.000 0.322 211 F C 0.443 176.166 175.800 -0.128 0.000 1.103 211 F CA -0.675 57.270 58.000 -0.092 0.000 0.926 211 F CB 1.750 40.645 39.000 -0.175 0.000 1.154 211 F HN -0.108 nan 8.300 nan 0.000 0.453 212 S N 1.911 117.691 115.700 0.133 0.000 2.605 212 S HA 0.341 4.811 4.470 0.000 0.000 0.308 212 S C 0.288 174.927 174.600 0.066 0.000 1.113 212 S CA -0.718 57.517 58.200 0.059 0.000 1.049 212 S CB 0.522 63.757 63.200 0.057 0.000 1.001 212 S HN 0.643 nan 8.310 nan 0.000 0.480 213 Y N 2.753 123.095 120.300 0.071 0.000 2.173 213 Y HA -0.165 4.385 4.550 0.000 0.000 0.282 213 Y C -0.228 175.686 175.900 0.024 0.000 1.192 213 Y CA 2.313 60.438 58.100 0.042 0.000 1.176 213 Y CB -1.269 37.211 38.460 0.034 0.000 0.969 213 Y HN 0.569 nan 8.280 nan 0.000 0.519 214 P HA -0.191 nan 4.420 nan 0.000 0.215 214 P C 1.234 178.572 177.300 0.062 0.000 1.157 214 P CA 2.351 65.510 63.100 0.099 0.000 0.874 214 P CB -0.258 31.486 31.700 0.074 0.000 0.790 215 S N -1.638 114.101 115.700 0.065 0.000 2.786 215 S HA 0.135 4.605 4.470 0.000 0.000 0.223 215 S C 1.461 176.042 174.600 -0.031 0.000 0.956 215 S CA 0.155 58.368 58.200 0.022 0.000 0.961 215 S CB -1.018 62.231 63.200 0.082 0.000 0.784 215 S HN 0.140 nan 8.310 nan 0.000 0.519 216 L N -0.355 120.875 121.223 0.011 0.000 3.284 216 L HA 0.220 4.560 4.340 0.000 0.000 0.294 216 L C -0.086 176.817 176.870 0.056 0.000 1.183 216 L CA 0.003 54.841 54.840 -0.003 0.000 1.056 216 L CB 0.514 42.572 42.059 -0.001 0.000 1.513 216 L HN 0.140 nan 8.230 nan 0.000 0.601 217 T N -0.854 113.742 114.554 0.069 0.000 2.856 217 T HA 0.125 4.475 4.350 0.000 0.000 0.292 217 T C 0.943 175.632 174.700 -0.017 0.000 0.980 217 T CA 0.198 62.320 62.100 0.038 0.000 1.091 217 T CB 2.408 71.293 68.868 0.027 0.000 0.936 217 T HN -0.068 nan 8.240 nan 0.000 0.503 218 S N 1.278 116.950 115.700 -0.046 0.000 2.468 218 S HA 0.498 4.968 4.470 0.000 0.000 0.226 218 S C 0.554 175.067 174.600 -0.145 0.000 1.051 218 S CA 0.068 58.232 58.200 -0.059 0.000 0.943 218 S CB 0.184 63.374 63.200 -0.017 0.000 0.810 218 S HN 0.895 nan 8.310 nan 0.000 0.509 219 A N 0.846 123.473 122.820 -0.322 0.000 2.422 219 A HA 0.765 5.085 4.320 0.000 0.000 0.302 219 A C -0.963 176.230 177.584 -0.652 0.000 1.041 219 A CA -0.479 51.220 52.037 -0.562 0.000 0.708 219 A CB 1.527 19.939 19.000 -0.980 0.000 1.257 219 A HN 0.351 nan 8.150 nan 0.000 0.414 220 Q N 1.415 121.051 119.800 -0.272 0.000 2.305 220 Q HA 0.649 4.989 4.340 0.000 0.000 0.271 220 Q C -0.774 175.356 176.000 0.215 0.000 1.046 220 Q CA -0.392 55.405 55.803 -0.009 0.000 0.798 220 Q CB 2.054 30.793 28.738 0.003 0.000 1.286 220 Q HN 0.795 nan 8.270 nan 0.000 0.435 221 S N 0.768 116.697 115.700 0.381 0.000 2.623 221 S HA 0.460 4.930 4.470 0.000 0.000 0.287 221 S C 0.923 175.637 174.600 0.191 0.000 1.123 221 S CA -0.090 58.312 58.200 0.336 0.000 1.016 221 S CB 0.693 64.153 63.200 0.432 0.000 1.233 221 S HN 0.841 nan 8.310 nan 0.000 0.512 222 G N 0.151 109.040 108.800 0.149 0.000 2.534 222 G HA2 -0.020 3.940 3.960 0.000 0.000 0.217 222 G HA3 -0.020 3.940 3.960 0.000 0.000 0.217 222 G C -0.103 174.814 174.900 0.029 0.000 1.128 222 G CA 0.964 46.110 45.100 0.077 0.000 0.784 222 G HN 0.747 nan 8.290 nan 0.000 0.542 223 D N -2.937 117.473 120.400 0.017 0.000 2.619 223 D HA 0.150 4.790 4.640 0.000 0.000 0.300 223 D C -0.685 175.450 176.300 -0.276 0.000 1.502 223 D CA -0.618 53.299 54.000 -0.137 0.000 0.865 223 D CB -0.322 40.346 40.800 -0.220 0.000 1.343 223 D HN 0.222 nan 8.370 nan 0.000 0.447 224 Y N 0.627 120.982 120.300 0.092 0.000 2.462 224 Y HA 0.729 5.279 4.550 0.000 0.000 0.346 224 Y C -0.021 176.053 175.900 0.291 0.000 0.976 224 Y CA -0.815 57.363 58.100 0.130 0.000 1.044 224 Y CB 2.541 41.090 38.460 0.148 0.000 1.230 224 Y HN -0.202 nan 8.280 nan 0.000 0.455 225 S N 2.298 118.221 115.700 0.372 0.000 2.595 225 S HA 0.676 5.146 4.470 0.000 0.000 0.281 225 S C -2.027 172.735 174.600 0.271 0.000 1.117 225 S CA -0.686 57.620 58.200 0.177 0.000 0.873 225 S CB 2.157 65.342 63.200 -0.025 0.000 1.108 225 S HN 0.443 nan 8.310 nan 0.000 0.477 226 L N 2.627 123.876 121.223 0.043 0.000 2.427 226 L HA 0.584 4.924 4.340 0.000 0.000 0.264 226 L C -1.340 175.574 176.870 0.073 0.000 0.989 226 L CA -0.325 54.616 54.840 0.169 0.000 0.865 226 L CB 0.997 43.098 42.059 0.071 0.000 1.209 226 L HN 0.482 nan 8.230 nan 0.000 0.430 227 V N 5.376 125.365 119.914 0.125 0.000 2.644 227 V HA 0.463 4.583 4.120 0.000 0.000 0.295 227 V C 0.292 176.454 176.094 0.113 0.000 1.053 227 V CA -0.424 61.957 62.300 0.135 0.000 0.987 227 V CB 1.725 33.694 31.823 0.242 0.000 1.006 227 V HN 0.527 nan 8.190 nan 0.000 0.472 228 I N 3.977 124.608 120.570 0.101 0.000 2.405 228 I HA 0.325 4.495 4.170 0.000 0.000 0.280 228 I C -0.672 175.495 176.117 0.083 0.000 1.027 228 I CA -0.499 60.860 61.300 0.098 0.000 1.161 228 I CB 1.473 39.565 38.000 0.154 0.000 1.300 228 I HN 0.280 nan 8.210 nan 0.000 0.463 229 V N 5.075 125.031 119.914 0.070 0.000 2.348 229 V HA 0.609 4.729 4.120 0.000 0.000 0.270 229 V C 0.169 176.308 176.094 0.075 0.000 1.037 229 V CA -0.032 62.280 62.300 0.020 0.000 0.872 229 V CB 1.058 32.903 31.823 0.036 0.000 1.002 229 V HN 0.840 nan 8.190 nan 0.000 0.464 230 T N 2.709 117.298 114.554 0.058 0.000 2.770 230 T HA 0.419 4.769 4.350 0.000 0.000 0.323 230 T C -0.434 174.325 174.700 0.097 0.000 1.683 230 T CA 0.123 62.305 62.100 0.136 0.000 1.024 230 T CB 1.865 70.827 68.868 0.156 0.000 1.557 230 T HN 0.889 nan 8.240 nan 0.000 0.494 231 T N 0.653 115.333 114.554 0.209 0.000 2.918 231 T HA 0.561 4.911 4.350 0.000 0.000 0.283 231 T C 1.069 175.835 174.700 0.109 0.000 1.001 231 T CA -0.484 61.674 62.100 0.096 0.000 1.041 231 T CB 0.615 69.543 68.868 0.100 0.000 1.028 231 T HN 0.403 nan 8.240 nan 0.000 0.511 232 F N 1.141 121.191 119.950 0.167 0.000 2.126 232 F HA -0.050 4.477 4.527 0.000 0.000 0.299 232 F C 2.694 178.580 175.800 0.143 0.000 1.096 232 F CA 1.137 59.250 58.000 0.188 0.000 1.255 232 F CB -1.080 37.992 39.000 0.119 0.000 0.997 232 F HN 0.430 nan 8.300 nan 0.000 0.479 233 V N -0.424 119.627 119.914 0.229 0.000 2.324 233 V HA -0.338 3.782 4.120 0.000 0.000 0.250 233 V C 2.414 178.569 176.094 0.100 0.000 1.060 233 V CA 2.197 64.550 62.300 0.089 0.000 1.042 233 V CB -0.890 30.898 31.823 -0.058 0.000 0.650 233 V HN 0.369 nan 8.190 nan 0.000 0.450 234 H N -1.495 117.733 119.070 0.263 0.000 2.333 234 H HA -0.094 4.462 4.556 0.000 0.000 0.302 234 H C 2.186 177.656 175.328 0.238 0.000 1.075 234 H CA 1.785 57.996 56.048 0.271 0.000 1.348 234 H CB -0.694 29.298 29.762 0.383 0.000 1.393 234 H HN 0.505 nan 8.280 nan 0.000 0.509 235 Y N 1.776 122.212 120.300 0.228 0.000 2.228 235 Y HA -0.289 4.261 4.550 0.000 0.000 0.285 235 Y C 2.530 178.482 175.900 0.088 0.000 1.178 235 Y CA 1.261 59.397 58.100 0.061 0.000 1.202 235 Y CB -0.388 37.934 38.460 -0.231 0.000 0.974 235 Y HN 0.201 nan 8.280 nan 0.000 0.527 236 A N 0.204 123.078 122.820 0.090 0.000 1.841 236 A HA -0.256 4.064 4.320 0.000 0.000 0.214 236 A C 2.152 179.669 177.584 -0.113 0.000 1.195 236 A CA 1.825 53.852 52.037 -0.016 0.000 0.611 236 A CB -1.200 17.823 19.000 0.038 0.000 0.835 236 A HN 0.586 nan 8.150 nan 0.000 0.443 237 N N -1.618 116.967 118.700 -0.191 0.000 2.272 237 N HA -0.144 4.596 4.740 0.000 0.000 0.185 237 N C 1.176 176.465 175.510 -0.369 0.000 1.014 237 N CA 1.604 54.458 53.050 -0.326 0.000 0.870 237 N CB -0.316 37.703 38.487 -0.779 0.000 0.975 237 N HN 0.396 nan 8.380 nan 0.000 0.433 238 F N -0.634 119.104 119.950 -0.352 0.000 2.317 238 F HA 0.098 4.625 4.527 0.000 0.000 0.293 238 F C 2.366 177.750 175.800 -0.695 0.000 1.085 238 F CA 0.713 58.346 58.000 -0.612 0.000 1.390 238 F CB -0.564 38.240 39.000 -0.327 0.000 1.077 238 F HN 0.268 nan 8.300 nan 0.000 0.517 239 H N 0.382 119.174 119.070 -0.463 0.000 2.543 239 H HA -0.088 4.468 4.556 0.000 0.000 0.286 239 H C 1.397 176.550 175.328 -0.291 0.000 1.037 239 H CA 0.858 56.621 56.048 -0.475 0.000 1.250 239 H CB -0.067 29.345 29.762 -0.584 0.000 1.373 239 H HN 0.210 nan 8.280 nan 0.000 0.580 240 N N 0.240 118.836 118.700 -0.174 0.000 2.354 240 N HA -0.129 4.611 4.740 0.000 0.000 0.179 240 N C 0.741 176.252 175.510 0.002 0.000 1.021 240 N CA 1.185 54.211 53.050 -0.039 0.000 0.887 240 N CB 0.086 38.597 38.487 0.039 0.000 0.974 240 N HN 0.655 nan 8.380 nan 0.000 0.437 241 Y N -3.805 116.469 120.300 -0.044 0.000 2.666 241 Y HA 0.423 4.973 4.550 0.000 0.000 0.260 241 Y C -0.600 175.328 175.900 0.046 0.000 1.089 241 Y CA -1.025 57.054 58.100 -0.036 0.000 1.246 241 Y CB -0.219 38.200 38.460 -0.068 0.000 1.353 241 Y HN -0.205 nan 8.280 nan 0.000 0.558 242 F N 2.238 121.922 119.950 -0.444 0.000 2.646 242 F HA 0.688 5.215 4.527 0.000 0.000 0.364 242 F C -1.478 174.101 175.800 -0.369 0.000 1.137 242 F CA -2.012 55.788 58.000 -0.334 0.000 1.085 242 F CB 1.523 40.311 39.000 -0.353 0.000 1.331 242 F HN -0.169 nan 8.300 nan 0.000 0.472 243 V N 7.619 127.155 119.914 -0.631 0.000 2.260 243 V HA 0.292 4.412 4.120 0.000 0.000 0.263 243 V C -2.000 173.759 176.094 -0.557 0.000 1.036 243 V CA -1.247 60.679 62.300 -0.624 0.000 0.874 243 V CB 0.364 31.911 31.823 -0.460 0.000 1.116 243 V HN 0.548 nan 8.190 nan 0.000 0.454 244 P HA 0.067 nan 4.420 nan 0.000 0.269 244 P C -0.104 177.077 177.300 -0.199 0.000 1.209 244 P CA -0.085 62.713 63.100 -0.503 0.000 0.776 244 P CB 0.928 32.260 31.700 -0.614 0.000 0.876 245 N N 2.558 121.219 118.700 -0.066 0.000 3.303 245 N HA 0.044 4.784 4.740 0.000 0.000 0.304 245 N C 1.399 176.945 175.510 0.059 0.000 1.302 245 N CA -0.118 52.934 53.050 0.004 0.000 1.213 245 N CB -0.617 37.890 38.487 0.034 0.000 1.481 245 N HN 0.351 nan 8.380 nan 0.000 0.546 246 L N 0.633 121.884 121.223 0.046 0.000 2.151 246 L HA -0.343 3.997 4.340 0.000 0.000 0.219 246 L C 2.255 179.221 176.870 0.160 0.000 1.083 246 L CA 1.628 56.530 54.840 0.102 0.000 0.782 246 L CB -0.375 41.716 42.059 0.054 0.000 0.891 246 L HN 0.361 nan 8.230 nan 0.000 0.439 247 K N 0.051 120.523 120.400 0.120 0.000 1.971 247 K HA -0.205 4.115 4.320 0.000 0.000 0.221 247 K C 1.786 178.495 176.600 0.181 0.000 1.050 247 K CA 2.049 58.423 56.287 0.146 0.000 0.967 247 K CB -0.442 32.116 32.500 0.097 0.000 0.733 247 K HN 0.270 nan 8.250 nan 0.000 0.445 248 D N 0.625 121.101 120.400 0.127 0.000 2.117 248 D HA -0.173 4.467 4.640 0.000 0.000 0.197 248 D C 1.805 178.177 176.300 0.121 0.000 0.987 248 D CA 1.083 55.143 54.000 0.101 0.000 0.829 248 D CB -0.232 40.613 40.800 0.075 0.000 0.961 248 D HN 0.189 nan 8.370 nan 0.000 0.460 249 M N -0.677 119.026 119.600 0.171 0.000 2.202 249 M HA -0.188 4.292 4.480 0.000 0.000 0.262 249 M C 1.835 178.262 176.300 0.213 0.000 1.063 249 M CA 1.260 56.692 55.300 0.220 0.000 1.097 249 M CB -0.005 32.754 32.600 0.266 0.000 1.382 249 M HN 0.010 nan 8.290 nan 0.000 0.413 250 F N 0.112 120.108 119.950 0.077 0.000 2.118 250 F HA -0.061 4.466 4.527 0.000 0.000 0.293 250 F C 2.269 178.069 175.800 -0.000 0.000 1.102 250 F CA 1.747 59.779 58.000 0.052 0.000 1.247 250 F CB -0.742 38.334 39.000 0.126 0.000 1.017 250 F HN 0.095 nan 8.300 nan 0.000 0.475 251 S N 0.788 116.491 115.700 0.005 0.000 2.359 251 S HA -0.290 4.180 4.470 0.000 0.000 0.222 251 S C 2.137 176.615 174.600 -0.204 0.000 1.038 251 S CA 1.741 59.870 58.200 -0.117 0.000 1.051 251 S CB -0.629 62.584 63.200 0.022 0.000 0.944 251 S HN 0.351 nan 8.310 nan 0.000 0.433 252 R N 0.925 121.347 120.500 -0.129 0.000 2.139 252 R HA -0.094 4.246 4.340 0.000 0.000 0.243 252 R C 2.100 178.261 176.300 -0.231 0.000 1.145 252 R CA 1.238 57.256 56.100 -0.136 0.000 0.976 252 R CB -0.363 29.854 30.300 -0.139 0.000 0.866 252 R HN 0.425 nan 8.270 nan 0.000 0.449 253 A N -0.636 121.944 122.820 -0.401 0.000 2.206 253 A HA 0.045 4.365 4.320 0.000 0.000 0.211 253 A C 1.635 178.767 177.584 -0.753 0.000 1.158 253 A CA 0.612 52.127 52.037 -0.870 0.000 0.761 253 A CB 0.357 18.784 19.000 -0.955 0.000 0.801 253 A HN 0.183 nan 8.150 nan 0.000 0.473 254 V N -0.939 118.638 119.914 -0.562 0.000 2.840 254 V HA 0.006 4.126 4.120 0.000 0.000 0.234 254 V C 1.385 177.306 176.094 -0.289 0.000 1.159 254 V CA 1.413 63.419 62.300 -0.489 0.000 1.194 254 V CB -0.386 31.086 31.823 -0.585 0.000 0.971 254 V HN 0.559 nan 8.190 nan 0.000 0.494 255 T N 0.415 114.842 114.554 -0.212 0.000 3.414 255 T HA 0.642 4.992 4.350 0.000 0.000 0.304 255 T C -0.577 174.071 174.700 -0.086 0.000 1.241 255 T CA 0.137 62.173 62.100 -0.106 0.000 1.076 255 T CB -0.125 68.704 68.868 -0.065 0.000 1.134 255 T HN 0.292 nan 8.240 nan 0.000 0.759 256 M N 2.685 122.242 119.600 -0.071 0.000 2.363 256 M HA 0.202 4.682 4.480 0.000 0.000 0.256 256 M C -0.258 176.061 176.300 0.030 0.000 1.005 256 M CA -0.305 54.988 55.300 -0.012 0.000 0.890 256 M CB 1.818 34.421 32.600 0.005 0.000 2.101 256 M HN 0.566 nan 8.290 nan 0.000 0.476 257 T N 2.589 117.198 114.554 0.091 0.000 2.937 257 T HA 0.356 4.706 4.350 0.000 0.000 0.316 257 T C 1.216 176.021 174.700 0.175 0.000 1.079 257 T CA 0.926 63.129 62.100 0.171 0.000 1.131 257 T CB 0.966 69.967 68.868 0.221 0.000 1.000 257 T HN 0.834 nan 8.240 nan 0.000 0.549 258 A N 4.901 127.862 122.820 0.235 0.000 1.869 258 A HA -0.027 4.293 4.320 0.000 0.000 0.218 258 A C 2.779 180.387 177.584 0.039 0.000 1.203 258 A CA 2.709 54.833 52.037 0.146 0.000 0.638 258 A CB -1.675 17.457 19.000 0.221 0.000 0.831 258 A HN 1.427 nan 8.150 nan 0.000 0.450 259 A N -0.967 121.801 122.820 -0.087 0.000 1.917 259 A HA -0.140 4.180 4.320 0.000 0.000 0.219 259 A C 2.477 180.060 177.584 -0.003 0.000 1.182 259 A CA 2.427 54.385 52.037 -0.132 0.000 0.633 259 A CB -1.024 17.844 19.000 -0.221 0.000 0.819 259 A HN 0.511 nan 8.150 nan 0.000 0.448 260 S N -1.921 113.816 115.700 0.062 0.000 2.348 260 S HA -0.162 4.308 4.470 0.000 0.000 0.221 260 S C 1.864 176.551 174.600 0.145 0.000 1.033 260 S CA 1.465 59.723 58.200 0.097 0.000 1.010 260 S CB -0.590 62.672 63.200 0.103 0.000 0.891 260 S HN 0.659 nan 8.310 nan 0.000 0.442 261 Y N 2.446 122.769 120.300 0.039 0.000 2.207 261 Y HA -0.205 4.345 4.550 0.000 0.000 0.287 261 Y C 2.423 178.379 175.900 0.094 0.000 1.156 261 Y CA 0.870 59.020 58.100 0.083 0.000 1.182 261 Y CB -0.815 37.657 38.460 0.021 0.000 0.979 261 Y HN 0.225 nan 8.280 nan 0.000 0.521 262 A N 0.192 123.048 122.820 0.059 0.000 1.908 262 A HA -0.262 4.059 4.320 0.000 0.000 0.218 262 A C 2.349 179.872 177.584 -0.102 0.000 1.181 262 A CA 2.112 54.102 52.037 -0.078 0.000 0.627 262 A CB -0.776 18.140 19.000 -0.140 0.000 0.818 262 A HN 0.536 nan 8.150 nan 0.000 0.445 263 R N -2.048 118.430 120.500 -0.036 0.000 2.093 263 R HA -0.129 4.211 4.340 0.000 0.000 0.224 263 R C 2.078 178.354 176.300 -0.041 0.000 1.101 263 R CA 1.514 57.602 56.100 -0.021 0.000 0.979 263 R CB -0.573 29.750 30.300 0.038 0.000 0.877 263 R HN 0.595 nan 8.270 nan 0.000 0.441 264 Y N 0.449 120.675 120.300 -0.123 0.000 2.193 264 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 264 Y C 1.628 177.419 175.900 -0.182 0.000 1.166 264 Y CA 1.777 59.791 58.100 -0.143 0.000 1.181 264 Y CB -0.360 37.993 38.460 -0.179 0.000 0.976 264 Y HN -0.091 nan 8.280 nan 0.000 0.520 265 V N 0.035 119.625 119.914 -0.540 0.000 2.346 265 V HA -0.223 3.897 4.120 0.000 0.000 0.244 265 V C 2.404 178.311 176.094 -0.311 0.000 1.037 265 V CA 1.504 63.475 62.300 -0.548 0.000 1.029 265 V CB -0.851 30.751 31.823 -0.368 0.000 0.663 265 V HN 0.482 nan 8.190 nan 0.000 0.454 266 L N 0.061 121.166 121.223 -0.197 0.000 2.043 266 L HA -0.277 4.063 4.340 0.000 0.000 0.212 266 L C 2.513 179.314 176.870 -0.116 0.000 1.075 266 L CA 2.091 56.862 54.840 -0.115 0.000 0.752 266 L CB -0.514 41.506 42.059 -0.065 0.000 0.891 266 L HN 0.373 nan 8.230 nan 0.000 0.432 267 Q N -0.950 118.766 119.800 -0.140 0.000 2.079 267 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 267 Q C 2.325 178.241 176.000 -0.141 0.000 0.974 267 Q CA 1.580 57.316 55.803 -0.112 0.000 0.840 267 Q CB -0.204 28.485 28.738 -0.080 0.000 0.898 267 Q HN 0.466 nan 8.270 nan 0.000 0.430 268 K N 0.630 120.878 120.400 -0.253 0.000 2.113 268 K HA -0.152 4.168 4.320 0.000 0.000 0.208 268 K C 2.026 178.547 176.600 -0.131 0.000 1.047 268 K CA 1.006 57.153 56.287 -0.233 0.000 0.928 268 K CB -0.047 32.213 32.500 -0.400 0.000 0.716 268 K HN 0.186 nan 8.250 nan 0.000 0.446 269 L N 0.060 121.209 121.223 -0.125 0.000 2.044 269 L HA -0.164 4.176 4.340 0.000 0.000 0.205 269 L C 2.296 179.116 176.870 -0.083 0.000 1.075 269 L CA 0.738 55.527 54.840 -0.085 0.000 0.747 269 L CB -0.525 41.481 42.059 -0.089 0.000 0.903 269 L HN -0.014 nan 8.230 nan 0.000 0.435 270 V N 0.478 120.346 119.914 -0.077 0.000 2.324 270 V HA -0.326 3.794 4.120 0.000 0.000 0.250 270 V C 2.486 178.554 176.094 -0.043 0.000 1.060 270 V CA 2.003 64.267 62.300 -0.060 0.000 1.042 270 V CB -0.544 31.256 31.823 -0.038 0.000 0.650 270 V HN 0.361 nan 8.190 nan 0.000 0.450 271 L N -0.378 120.823 121.223 -0.038 0.000 1.970 271 L HA -0.167 4.173 4.340 0.000 0.000 0.212 271 L C 2.220 179.079 176.870 -0.018 0.000 1.071 271 L CA 2.000 56.829 54.840 -0.019 0.000 0.751 271 L CB -0.609 41.439 42.059 -0.019 0.000 0.889 271 L HN 0.168 nan 8.230 nan 0.000 0.432 272 L N -0.002 121.207 121.223 -0.023 0.000 2.127 272 L HA -0.224 4.116 4.340 0.000 0.000 0.211 272 L C 2.594 179.447 176.870 -0.027 0.000 1.089 272 L CA 1.827 56.661 54.840 -0.009 0.000 0.757 272 L CB -0.893 41.176 42.059 0.016 0.000 0.899 272 L HN 0.484 nan 8.230 nan 0.000 0.434 273 E N -0.662 119.503 120.200 -0.057 0.000 2.047 273 E HA -0.220 4.130 4.350 0.000 0.000 0.191 273 E C 2.215 178.783 176.600 -0.052 0.000 0.987 273 E CA 1.137 57.489 56.400 -0.079 0.000 0.799 273 E CB -0.077 29.558 29.700 -0.108 0.000 0.752 273 E HN 0.439 nan 8.360 nan 0.000 0.449 274 M N 0.110 119.690 119.600 -0.032 0.000 2.460 274 M HA -0.102 4.378 4.480 0.000 0.000 0.263 274 M C 1.541 177.841 176.300 -0.001 0.000 1.071 274 M CA 1.032 56.328 55.300 -0.008 0.000 1.096 274 M CB 0.116 32.728 32.600 0.021 0.000 1.408 274 M HN -0.100 nan 8.290 nan 0.000 0.463 275 K N -0.114 120.283 120.400 -0.006 0.000 2.417 275 K HA 0.151 4.471 4.320 0.000 0.000 0.196 275 K C 1.108 177.706 176.600 -0.004 0.000 1.023 275 K CA 0.423 56.709 56.287 -0.001 0.000 1.122 275 K CB 0.213 32.714 32.500 0.003 0.000 0.850 275 K HN 0.486 nan 8.250 nan 0.000 0.521 276 G N 0.911 109.703 108.800 -0.013 0.000 2.189 276 G HA2 -0.298 3.662 3.960 0.000 0.000 0.267 276 G HA3 -0.298 3.662 3.960 0.000 0.000 0.267 276 G C 0.804 175.700 174.900 -0.007 0.000 0.975 276 G CA 0.268 45.359 45.100 -0.015 0.000 0.644 276 G HN 0.475 nan 8.290 nan 0.000 0.537 277 G N -0.821 107.981 108.800 0.003 0.000 2.807 277 G HA2 0.091 4.051 3.960 0.000 0.000 0.207 277 G HA3 0.091 4.051 3.960 0.000 0.000 0.207 277 G C 1.232 176.170 174.900 0.063 0.000 1.151 277 G CA 1.475 46.598 45.100 0.038 0.000 0.800 277 G HN 0.744 nan 8.290 nan 0.000 0.523 278 c N -0.778 117.817 118.600 -0.008 0.000 2.974 278 c HA 0.421 4.991 4.570 0.000 0.000 0.282 278 c C 1.958 176.040 174.090 -0.014 0.000 1.292 278 c CA -0.372 55.926 56.329 -0.052 0.000 1.710 278 c CB -0.580 41.844 42.510 -0.144 0.000 2.036 278 c HN 0.534 nan 8.230 nan 0.000 0.629 279 R N -0.364 120.139 120.500 0.006 0.000 2.637 279 R HA 0.107 4.447 4.340 0.000 0.000 0.262 279 R C -0.060 176.245 176.300 0.008 0.000 0.959 279 R CA 0.112 56.214 56.100 0.003 0.000 1.061 279 R CB 0.418 30.710 30.300 -0.014 0.000 1.610 279 R HN 0.194 nan 8.270 nan 0.000 0.548 280 E N 1.337 121.544 120.200 0.012 0.000 4.044 280 E HA 0.214 4.564 4.350 0.000 0.000 0.216 280 E C -2.615 173.988 176.600 0.005 0.000 1.104 280 E CA -1.735 54.664 56.400 -0.001 0.000 1.383 280 E CB 1.389 31.082 29.700 -0.011 0.000 1.195 280 E HN -0.027 nan 8.360 nan 0.000 0.442 281 P HA -0.113 nan 4.420 nan 0.000 0.235 281 P C -0.084 177.176 177.300 -0.068 0.000 1.080 281 P CA 0.548 63.672 63.100 0.040 0.000 1.096 281 P CB -0.008 31.718 31.700 0.045 0.000 1.085 282 E N 2.728 122.893 120.200 -0.058 0.000 2.344 282 E HA 0.100 4.450 4.350 0.000 0.000 0.270 282 E C -0.129 176.358 176.600 -0.189 0.000 1.021 282 E CA -0.008 56.327 56.400 -0.108 0.000 0.887 282 E CB 0.181 29.844 29.700 -0.061 0.000 0.997 282 E HN 0.347 nan 8.360 nan 0.000 0.429 283 L N 5.537 126.590 121.223 -0.284 0.000 2.466 283 L HA 0.218 4.558 4.340 0.000 0.000 0.248 283 L C -0.516 176.207 176.870 -0.244 0.000 1.240 283 L CA -0.310 54.269 54.840 -0.435 0.000 1.180 283 L CB -0.642 41.000 42.059 -0.694 0.000 1.413 283 L HN 0.553 nan 8.230 nan 0.000 0.406 284 D N -2.728 117.604 120.400 -0.112 0.000 2.497 284 D HA 0.297 4.937 4.640 0.000 0.000 0.243 284 D C 1.273 177.630 176.300 0.096 0.000 1.039 284 D CA -0.274 53.736 54.000 0.017 0.000 1.052 284 D CB 0.726 41.526 40.800 -0.000 0.000 1.344 284 D HN 0.102 nan 8.370 nan 0.000 0.553 285 T N -2.517 112.120 114.554 0.138 0.000 2.665 285 T HA -0.306 4.044 4.350 0.000 0.000 0.268 285 T C 1.508 176.307 174.700 0.165 0.000 1.035 285 T CA 1.778 63.993 62.100 0.191 0.000 1.151 285 T CB -0.673 68.204 68.868 0.015 0.000 0.862 285 T HN 0.621 nan 8.240 nan 0.000 0.438 286 E N 0.919 121.171 120.200 0.086 0.000 2.023 286 E HA -0.197 4.153 4.350 0.000 0.000 0.196 286 E C 2.352 179.000 176.600 0.080 0.000 1.003 286 E CA 1.926 58.372 56.400 0.076 0.000 0.809 286 E CB -0.516 29.211 29.700 0.045 0.000 0.755 286 E HN 0.584 nan 8.360 nan 0.000 0.449 287 T N 1.220 115.803 114.554 0.048 0.000 2.684 287 T HA -0.177 4.173 4.350 0.000 0.000 0.267 287 T C 1.830 176.533 174.700 0.005 0.000 1.036 287 T CA 1.253 63.370 62.100 0.030 0.000 1.148 287 T CB -0.241 68.609 68.868 -0.030 0.000 0.863 287 T HN 0.069 nan 8.240 nan 0.000 0.436 288 L N 0.699 121.904 121.223 -0.030 0.000 2.056 288 L HA -0.047 4.293 4.340 0.000 0.000 0.207 288 L C 2.795 179.713 176.870 0.080 0.000 1.078 288 L CA 1.596 56.346 54.840 -0.151 0.000 0.749 288 L CB -1.057 40.695 42.059 -0.512 0.000 0.901 288 L HN 0.240 nan 8.230 nan 0.000 0.433 289 T N -1.327 113.395 114.554 0.280 0.000 2.652 289 T HA -0.232 4.118 4.350 0.000 0.000 0.267 289 T C 1.877 176.734 174.700 0.262 0.000 1.039 289 T CA 2.177 64.489 62.100 0.354 0.000 1.153 289 T CB -0.587 68.442 68.868 0.269 0.000 0.863 289 T HN 0.625 nan 8.240 nan 0.000 0.428 290 T N 1.341 115.990 114.554 0.157 0.000 2.685 290 T HA -0.211 4.139 4.350 0.000 0.000 0.268 290 T C 2.009 176.787 174.700 0.130 0.000 1.034 290 T CA 1.536 63.694 62.100 0.098 0.000 1.149 290 T CB -0.723 68.181 68.868 0.061 0.000 0.860 290 T HN 0.293 nan 8.240 nan 0.000 0.449 291 M N 0.168 119.843 119.600 0.125 0.000 2.082 291 M HA 0.012 4.492 4.480 0.000 0.000 0.258 291 M C 2.165 178.563 176.300 0.164 0.000 1.071 291 M CA 2.285 57.645 55.300 0.100 0.000 1.103 291 M CB -0.715 31.809 32.600 -0.127 0.000 1.307 291 M HN 0.298 nan 8.290 nan 0.000 0.409 292 F N 1.443 121.354 119.950 -0.065 0.000 2.126 292 F HA -0.213 4.314 4.527 0.000 0.000 0.299 292 F C 2.154 178.097 175.800 0.238 0.000 1.096 292 F CA 1.807 59.873 58.000 0.110 0.000 1.255 292 F CB -0.410 38.661 39.000 0.119 0.000 0.997 292 F HN 0.199 nan 8.300 nan 0.000 0.479 293 E N -0.405 119.854 120.200 0.099 0.000 2.150 293 E HA -0.151 4.199 4.350 0.000 0.000 0.193 293 E C 2.386 179.038 176.600 0.086 0.000 0.985 293 E CA 1.304 57.740 56.400 0.060 0.000 0.814 293 E CB -0.397 29.369 29.700 0.111 0.000 0.752 293 E HN 0.329 nan 8.360 nan 0.000 0.466 294 V N 1.789 121.775 119.914 0.121 0.000 2.407 294 V HA -0.259 3.861 4.120 0.000 0.000 0.248 294 V C 2.548 178.820 176.094 0.297 0.000 1.055 294 V CA 2.157 64.569 62.300 0.186 0.000 1.049 294 V CB -0.477 31.474 31.823 0.213 0.000 0.662 294 V HN 0.360 nan 8.190 nan 0.000 0.455 295 S N -0.722 115.123 115.700 0.242 0.000 2.414 295 S HA -0.085 4.385 4.470 0.000 0.000 0.227 295 S C 1.894 176.633 174.600 0.232 0.000 1.022 295 S CA 1.178 59.511 58.200 0.221 0.000 0.958 295 S CB -0.208 63.105 63.200 0.188 0.000 0.797 295 S HN 0.319 nan 8.310 nan 0.000 0.493 296 V N 2.532 122.496 119.914 0.082 0.000 2.427 296 V HA -0.080 4.040 4.120 0.000 0.000 0.248 296 V C 3.092 179.376 176.094 0.317 0.000 1.051 296 V CA 1.509 63.876 62.300 0.111 0.000 1.048 296 V CB -1.465 30.246 31.823 -0.187 0.000 0.666 296 V HN 0.645 nan 8.190 nan 0.000 0.456 297 A N -0.438 122.640 122.820 0.429 0.000 1.902 297 A HA -0.189 4.131 4.320 0.000 0.000 0.217 297 A C 2.033 179.701 177.584 0.141 0.000 1.181 297 A CA 1.816 54.072 52.037 0.366 0.000 0.623 297 A CB -0.667 18.435 19.000 0.169 0.000 0.818 297 A HN 0.470 nan 8.150 nan 0.000 0.443 298 F N -1.724 118.289 119.950 0.105 0.000 2.206 298 F HA -0.017 4.510 4.527 0.000 0.000 0.298 298 F C 1.961 177.838 175.800 0.129 0.000 1.090 298 F CA 1.292 59.321 58.000 0.048 0.000 1.323 298 F CB -0.467 38.550 39.000 0.030 0.000 1.028 298 F HN 0.364 nan 8.300 nan 0.000 0.492 299 F N 1.200 121.294 119.950 0.240 0.000 2.134 299 F HA -0.166 4.361 4.527 0.000 0.000 0.299 299 F C 2.291 178.226 175.800 0.224 0.000 1.097 299 F CA 1.514 59.648 58.000 0.224 0.000 1.264 299 F CB -0.571 38.544 39.000 0.192 0.000 1.001 299 F HN -0.284 nan 8.300 nan 0.000 0.479 300 K N 0.560 120.922 120.400 -0.064 0.000 2.034 300 K HA -0.173 4.147 4.320 0.000 0.000 0.214 300 K C 2.218 178.786 176.600 -0.054 0.000 1.051 300 K CA 1.851 58.043 56.287 -0.158 0.000 0.931 300 K CB -1.081 31.386 32.500 -0.055 0.000 0.715 300 K HN 0.280 nan 8.250 nan 0.000 0.446 301 V N 0.412 120.318 119.914 -0.014 0.000 2.332 301 V HA -0.218 3.902 4.120 0.000 0.000 0.248 301 V C 2.478 178.631 176.094 0.099 0.000 1.055 301 V CA 2.233 64.539 62.300 0.010 0.000 1.038 301 V CB -1.031 30.656 31.823 -0.227 0.000 0.651 301 V HN 0.473 nan 8.190 nan 0.000 0.450 302 G N -1.603 107.285 108.800 0.146 0.000 2.408 302 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 302 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 302 G C 1.554 176.581 174.900 0.213 0.000 1.150 302 G CA 0.835 46.144 45.100 0.348 0.000 0.776 302 G HN 0.614 nan 8.290 nan 0.000 0.542 303 H N 0.690 119.685 119.070 -0.125 0.000 2.524 303 H HA 0.165 4.721 4.556 0.000 0.000 0.282 303 H C 2.600 177.873 175.328 -0.091 0.000 1.016 303 H CA 0.845 56.762 56.048 -0.219 0.000 1.270 303 H CB 0.239 29.613 29.762 -0.646 0.000 1.394 303 H HN 0.347 nan 8.280 nan 0.000 0.568 304 A N 0.322 123.124 122.820 -0.030 0.000 1.840 304 A HA -0.076 4.244 4.320 0.000 0.000 0.214 304 A C 2.585 180.142 177.584 -0.046 0.000 1.198 304 A CA 1.228 53.246 52.037 -0.031 0.000 0.608 304 A CB -0.823 18.254 19.000 0.128 0.000 0.839 304 A HN 0.249 nan 8.150 nan 0.000 0.443 305 V N 0.336 120.286 119.914 0.060 0.000 2.867 305 V HA -0.139 3.981 4.120 0.000 0.000 0.260 305 V C 2.548 178.633 176.094 -0.015 0.000 1.099 305 V CA 1.601 63.940 62.300 0.064 0.000 1.122 305 V CB -1.363 30.566 31.823 0.177 0.000 0.708 305 V HN 0.621 nan 8.190 nan 0.000 0.490 306 G N -0.418 108.338 108.800 -0.073 0.000 2.404 306 G HA2 -0.128 3.832 3.960 0.000 0.000 0.213 306 G HA3 -0.128 3.832 3.960 0.000 0.000 0.213 306 G C 1.424 176.222 174.900 -0.170 0.000 1.189 306 G CA 0.297 45.317 45.100 -0.134 0.000 0.796 306 G HN 0.446 nan 8.290 nan 0.000 0.532 307 E N 0.898 120.943 120.200 -0.258 0.000 2.097 307 E HA -0.133 4.217 4.350 0.000 0.000 0.196 307 E C 1.949 178.465 176.600 -0.140 0.000 1.000 307 E CA 1.550 57.816 56.400 -0.224 0.000 0.804 307 E CB -0.781 28.767 29.700 -0.253 0.000 0.740 307 E HN 0.518 nan 8.360 nan 0.000 0.454 308 T N -0.485 113.994 114.554 -0.124 0.000 3.783 308 T HA 0.433 4.783 4.350 0.000 0.000 0.262 308 T C 0.543 175.202 174.700 -0.069 0.000 1.381 308 T CA -0.174 61.870 62.100 -0.094 0.000 1.155 308 T CB 0.028 68.835 68.868 -0.102 0.000 1.256 308 T HN 0.050 nan 8.240 nan 0.000 0.807 309 G N 1.576 110.336 108.800 -0.067 0.000 2.398 309 G HA2 0.282 4.242 3.960 0.000 0.000 0.246 309 G HA3 0.282 4.242 3.960 0.000 0.000 0.246 309 G C 0.610 175.486 174.900 -0.040 0.000 1.289 309 G CA -0.704 44.366 45.100 -0.051 0.000 0.869 309 G HN 0.596 nan 8.290 nan 0.000 0.543 310 N N -0.024 118.657 118.700 -0.031 0.000 2.714 310 N HA -0.170 4.570 4.740 0.000 0.000 0.250 310 N C 0.915 176.409 175.510 -0.027 0.000 1.117 310 N CA 1.295 54.330 53.050 -0.025 0.000 0.719 310 N CB -1.113 37.360 38.487 -0.023 0.000 1.081 310 N HN 0.884 nan 8.380 nan 0.000 0.557 311 G N -0.986 107.796 108.800 -0.031 0.000 2.940 311 G HA2 0.614 4.574 3.960 0.000 0.000 0.164 311 G HA3 0.614 4.574 3.960 0.000 0.000 0.164 311 G C -0.732 174.152 174.900 -0.026 0.000 1.326 311 G CA 0.157 45.236 45.100 -0.035 0.000 1.020 311 G HN 0.398 nan 8.290 nan 0.000 0.586 312 c N 0.346 118.928 118.600 -0.031 0.000 2.716 312 c HA 0.546 5.116 4.570 0.000 0.000 0.366 312 c C -0.374 173.704 174.090 -0.019 0.000 1.073 312 c CA -0.770 55.549 56.329 -0.016 0.000 1.260 312 c CB 0.278 42.782 42.510 -0.011 0.000 1.755 312 c HN 0.794 nan 8.230 nan 0.000 0.475 313 V N 2.739 122.658 119.914 0.008 0.000 2.432 313 V HA 0.461 4.581 4.120 0.000 0.000 0.275 313 V C 0.182 176.328 176.094 0.086 0.000 1.043 313 V CA -0.140 62.178 62.300 0.030 0.000 0.925 313 V CB 1.296 33.188 31.823 0.116 0.000 0.985 313 V HN 0.867 nan 8.190 nan 0.000 0.466 314 D N 3.001 123.458 120.400 0.095 0.000 2.455 314 D HA 0.027 4.667 4.640 0.000 0.000 0.241 314 D C 0.757 177.182 176.300 0.209 0.000 1.138 314 D CA -0.134 53.943 54.000 0.128 0.000 0.877 314 D CB 1.289 42.161 40.800 0.119 0.000 1.187 314 D HN 0.602 nan 8.370 nan 0.000 0.451 315 L N 4.465 125.787 121.223 0.166 0.000 2.191 315 L HA -0.097 4.243 4.340 0.000 0.000 0.212 315 L C 2.045 179.094 176.870 0.297 0.000 1.103 315 L CA 1.632 56.587 54.840 0.193 0.000 0.769 315 L CB -0.279 41.885 42.059 0.174 0.000 0.908 315 L HN 0.476 nan 8.230 nan 0.000 0.438 316 R N -1.502 119.187 120.500 0.315 0.000 2.092 316 R HA -0.219 4.121 4.340 0.000 0.000 0.231 316 R C 2.169 178.648 176.300 0.298 0.000 1.119 316 R CA 1.695 58.018 56.100 0.371 0.000 0.970 316 R CB -0.796 29.567 30.300 0.105 0.000 0.864 316 R HN 0.606 nan 8.270 nan 0.000 0.440 317 W N 2.207 123.582 121.300 0.126 0.000 2.355 317 W HA -0.175 4.485 4.660 0.000 0.000 0.309 317 W C 1.452 178.063 176.519 0.153 0.000 1.206 317 W CA 1.387 58.801 57.345 0.115 0.000 1.284 317 W CB -0.213 29.298 29.460 0.085 0.000 1.145 317 W HN 0.047 nan 8.180 nan 0.000 0.502 318 L N 1.228 122.566 121.223 0.193 0.000 2.005 318 L HA -0.168 4.172 4.340 0.000 0.000 0.207 318 L C 2.924 179.846 176.870 0.087 0.000 1.072 318 L CA 1.545 56.480 54.840 0.158 0.000 0.744 318 L CB -1.757 40.379 42.059 0.129 0.000 0.895 318 L HN -0.081 nan 8.230 nan 0.000 0.433 319 A N -0.077 122.779 122.820 0.059 0.000 2.042 319 A HA -0.270 4.050 4.320 0.000 0.000 0.222 319 A C 2.441 180.031 177.584 0.010 0.000 1.167 319 A CA 2.224 54.258 52.037 -0.005 0.000 0.649 319 A CB -0.451 18.483 19.000 -0.109 0.000 0.809 319 A HN 0.420 nan 8.150 nan 0.000 0.457 320 K N -1.214 119.174 120.400 -0.019 0.000 2.121 320 K HA 0.030 4.350 4.320 0.000 0.000 0.203 320 K C 2.242 178.783 176.600 -0.098 0.000 1.041 320 K CA 1.007 57.266 56.287 -0.046 0.000 0.969 320 K CB -0.039 32.401 32.500 -0.100 0.000 0.799 320 K HN 0.394 nan 8.250 nan 0.000 0.456 321 S N 0.754 116.243 115.700 -0.352 0.000 2.348 321 S HA -0.080 4.390 4.470 0.000 0.000 0.221 321 S C 1.624 176.079 174.600 -0.241 0.000 1.033 321 S CA 1.288 59.227 58.200 -0.435 0.000 1.010 321 S CB -0.364 62.383 63.200 -0.756 0.000 0.891 321 S HN 0.260 nan 8.310 nan 0.000 0.442 322 F N 0.676 120.514 119.950 -0.187 0.000 2.451 322 F HA -0.003 4.524 4.527 0.000 0.000 0.299 322 F C 1.792 177.531 175.800 -0.101 0.000 1.101 322 F CA 0.580 58.504 58.000 -0.127 0.000 1.436 322 F CB -0.269 38.692 39.000 -0.064 0.000 1.074 322 F HN 0.213 nan 8.300 nan 0.000 0.553 323 F N 1.228 121.146 119.950 -0.054 0.000 2.098 323 F HA -0.124 4.403 4.527 0.000 0.000 0.294 323 F C 2.301 178.000 175.800 -0.169 0.000 1.107 323 F CA 1.453 59.386 58.000 -0.111 0.000 1.234 323 F CB -0.538 38.393 39.000 -0.115 0.000 1.002 323 F HN -0.198 nan 8.300 nan 0.000 0.472 324 E N 0.877 120.865 120.200 -0.352 0.000 2.209 324 E HA -0.203 4.147 4.350 0.000 0.000 0.196 324 E C 2.409 178.732 176.600 -0.463 0.000 0.993 324 E CA 1.276 57.416 56.400 -0.432 0.000 0.819 324 E CB -0.566 29.011 29.700 -0.206 0.000 0.745 324 E HN 0.501 nan 8.360 nan 0.000 0.477 325 L N 0.300 121.237 121.223 -0.476 0.000 2.095 325 L HA -0.103 4.237 4.340 0.000 0.000 0.204 325 L C 2.480 179.159 176.870 -0.320 0.000 1.080 325 L CA 1.211 55.701 54.840 -0.583 0.000 0.759 325 L CB -0.536 41.056 42.059 -0.778 0.000 0.914 325 L HN 0.082 nan 8.230 nan 0.000 0.439 326 T N -0.576 113.808 114.554 -0.283 0.000 2.708 326 T HA -0.222 4.128 4.350 0.000 0.000 0.266 326 T C 1.885 176.396 174.700 -0.314 0.000 1.037 326 T CA 1.612 63.588 62.100 -0.206 0.000 1.146 326 T CB -0.376 68.382 68.868 -0.183 0.000 0.865 326 T HN 0.172 nan 8.240 nan 0.000 0.435 327 V N 1.202 120.766 119.914 -0.583 0.000 2.407 327 V HA -0.083 4.037 4.120 0.000 0.000 0.248 327 V C 2.234 178.165 176.094 -0.271 0.000 1.055 327 V CA 1.450 63.389 62.300 -0.602 0.000 1.049 327 V CB -0.486 30.809 31.823 -0.879 0.000 0.662 327 V HN 0.377 nan 8.190 nan 0.000 0.455 328 L N 0.771 121.859 121.223 -0.224 0.000 2.027 328 L HA -0.123 4.217 4.340 0.000 0.000 0.206 328 L C 2.534 179.427 176.870 0.037 0.000 1.074 328 L CA 2.661 57.456 54.840 -0.074 0.000 0.745 328 L CB -0.971 41.041 42.059 -0.078 0.000 0.898 328 L HN 0.397 nan 8.230 nan 0.000 0.433 329 K N -0.736 119.726 120.400 0.102 0.000 2.113 329 K HA -0.225 4.095 4.320 0.000 0.000 0.208 329 K C 1.646 178.260 176.600 0.023 0.000 1.047 329 K CA 1.898 58.262 56.287 0.128 0.000 0.928 329 K CB -0.222 32.374 32.500 0.161 0.000 0.716 329 K HN 0.448 nan 8.250 nan 0.000 0.446 330 D N 0.937 121.320 120.400 -0.028 0.000 2.084 330 D HA -0.179 4.461 4.640 0.000 0.000 0.196 330 D C 1.964 178.235 176.300 -0.047 0.000 0.985 330 D CA 1.187 55.160 54.000 -0.045 0.000 0.826 330 D CB -0.211 40.548 40.800 -0.068 0.000 0.978 330 D HN 0.326 nan 8.370 nan 0.000 0.456 331 I N 0.920 121.459 120.570 -0.051 0.000 2.286 331 I HA -0.233 3.937 4.170 0.000 0.000 0.248 331 I C 2.169 178.221 176.117 -0.108 0.000 1.115 331 I CA 0.911 62.164 61.300 -0.079 0.000 1.392 331 I CB 0.035 37.994 38.000 -0.068 0.000 1.065 331 I HN -0.097 nan 8.210 nan 0.000 0.418 332 I N 0.713 121.254 120.570 -0.048 0.000 2.361 332 I HA -0.210 3.960 4.170 0.000 0.000 0.251 332 I C 2.432 178.543 176.117 -0.010 0.000 1.133 332 I CA 1.481 62.775 61.300 -0.011 0.000 1.413 332 I CB -0.722 37.323 38.000 0.074 0.000 1.073 332 I HN 0.342 nan 8.210 nan 0.000 0.424 333 G N 0.644 109.432 108.800 -0.019 0.000 2.441 333 G HA2 -0.032 3.928 3.960 0.000 0.000 0.212 333 G HA3 -0.032 3.928 3.960 0.000 0.000 0.212 333 G C 1.662 176.537 174.900 -0.040 0.000 1.164 333 G CA 0.117 45.212 45.100 -0.010 0.000 0.811 333 G HN 0.263 nan 8.290 nan 0.000 0.535 334 I N 0.241 120.766 120.570 -0.074 0.000 2.226 334 I HA -0.183 3.987 4.170 0.000 0.000 0.245 334 I C 2.838 178.880 176.117 -0.125 0.000 1.100 334 I CA 0.609 61.854 61.300 -0.091 0.000 1.374 334 I CB -0.288 37.651 38.000 -0.102 0.000 1.057 334 I HN 0.321 nan 8.210 nan 0.000 0.413 335 c N 0.102 118.572 118.600 -0.216 0.000 2.675 335 c HA -0.073 4.497 4.570 0.000 0.000 0.285 335 c C 1.094 175.037 174.090 -0.245 0.000 1.282 335 c CA 0.188 56.298 56.329 -0.365 0.000 1.708 335 c CB -0.554 41.515 42.510 -0.735 0.000 2.134 335 c HN 0.268 nan 8.230 nan 0.000 0.494 336 Y N -0.091 120.211 120.300 0.004 0.000 2.419 336 Y HA 0.472 5.022 4.550 0.000 0.000 0.328 336 Y C 1.117 177.023 175.900 0.011 0.000 1.162 336 Y CA -0.674 57.435 58.100 0.017 0.000 1.174 336 Y CB 0.251 38.737 38.460 0.043 0.000 1.228 336 Y HN 0.287 nan 8.280 nan 0.000 0.473 337 G N 0.780 109.688 108.800 0.181 0.000 3.392 337 G HA2 0.366 4.326 3.960 0.000 0.000 0.247 337 G HA3 0.366 4.326 3.960 0.000 0.000 0.247 337 G C 0.148 175.100 174.900 0.087 0.000 1.161 337 G CA 0.048 45.203 45.100 0.091 0.000 1.739 337 G HN 0.746 nan 8.290 nan 0.000 0.619 338 A N 0.439 123.334 122.820 0.124 0.000 2.316 338 A HA 0.775 5.095 4.320 0.000 0.000 0.284 338 A C 0.473 178.082 177.584 0.041 0.000 1.115 338 A CA -0.140 51.954 52.037 0.095 0.000 0.812 338 A CB 0.851 19.949 19.000 0.162 0.000 1.064 338 A HN 0.286 nan 8.150 nan 0.000 0.489 339 T N 0.256 114.818 114.554 0.014 0.000 2.924 339 T HA 0.644 4.994 4.350 0.000 0.000 0.291 339 T C -0.763 173.916 174.700 -0.035 0.000 1.045 339 T CA -0.513 61.586 62.100 -0.002 0.000 1.015 339 T CB 1.636 70.513 68.868 0.014 0.000 1.103 339 T HN 0.596 nan 8.240 nan 0.000 0.496 340 V N 2.115 121.985 119.914 -0.074 0.000 2.686 340 V HA 0.745 4.865 4.120 0.000 0.000 0.306 340 V C -0.767 175.243 176.094 -0.140 0.000 1.065 340 V CA -1.005 61.188 62.300 -0.178 0.000 0.894 340 V CB 1.837 33.460 31.823 -0.334 0.000 1.004 340 V HN 1.016 nan 8.190 nan 0.000 0.424 341 K N 2.308 122.575 120.400 -0.222 0.000 2.557 341 K HA 0.734 5.054 4.320 0.000 0.000 0.261 341 K C 0.194 176.682 176.600 -0.186 0.000 0.932 341 K CA -0.144 56.033 56.287 -0.184 0.000 0.829 341 K CB 2.075 34.366 32.500 -0.348 0.000 1.358 341 K HN 1.338 nan 8.250 nan 0.000 0.430 342 G N 1.704 110.584 108.800 0.133 0.000 2.179 342 G HA2 -0.119 3.841 3.960 0.000 0.000 0.220 342 G HA3 -0.119 3.841 3.960 0.000 0.000 0.220 342 G C -0.173 174.658 174.900 -0.114 0.000 0.990 342 G CA 0.114 45.285 45.100 0.118 0.000 0.646 342 G HN 0.445 nan 8.290 nan 0.000 0.517 343 M N 0.675 120.273 119.600 -0.003 0.000 3.287 343 M HA 0.500 4.980 4.480 0.000 0.000 0.336 343 M C -0.306 176.131 176.300 0.227 0.000 1.573 343 M CA -0.182 55.158 55.300 0.067 0.000 0.609 343 M CB 0.616 33.321 32.600 0.174 0.000 1.421 343 M HN 0.448 nan 8.290 nan 0.000 0.476 344 Q N 0.733 120.671 119.800 0.229 0.000 2.386 344 Q HA 0.587 4.927 4.340 0.000 0.000 0.274 344 Q C -1.236 174.861 176.000 0.162 0.000 1.011 344 Q CA -0.292 55.671 55.803 0.267 0.000 0.867 344 Q CB 2.268 31.122 28.738 0.193 0.000 1.409 344 Q HN 0.390 nan 8.270 nan 0.000 0.395 345 S N 1.995 117.740 115.700 0.075 0.000 2.594 345 S HA 0.297 4.767 4.470 0.000 0.000 0.296 345 S C 0.120 174.660 174.600 -0.100 0.000 1.124 345 S CA -0.517 57.649 58.200 -0.057 0.000 1.011 345 S CB 0.525 63.633 63.200 -0.154 0.000 1.016 345 S HN 0.811 nan 8.310 nan 0.000 0.485 346 Y N 2.860 123.114 120.300 -0.077 0.000 2.421 346 Y HA 0.250 4.800 4.550 0.000 0.000 0.292 346 Y C 1.740 177.590 175.900 -0.082 0.000 1.136 346 Y CA 0.895 58.949 58.100 -0.077 0.000 1.255 346 Y CB -0.914 37.496 38.460 -0.084 0.000 0.991 346 Y HN 0.679 nan 8.280 nan 0.000 0.552 347 G N 1.727 110.141 108.800 -0.643 0.000 2.464 347 G HA2 -0.275 3.685 3.960 0.000 0.000 0.214 347 G HA3 -0.275 3.685 3.960 0.000 0.000 0.214 347 G C 1.469 176.225 174.900 -0.239 0.000 1.218 347 G CA 1.081 45.914 45.100 -0.445 0.000 0.794 347 G HN 0.451 nan 8.290 nan 0.000 0.542 348 L N 0.903 121.962 121.223 -0.272 0.000 2.129 348 L HA -0.088 4.252 4.340 0.000 0.000 0.212 348 L C 2.576 179.338 176.870 -0.180 0.000 1.087 348 L CA 2.176 56.864 54.840 -0.254 0.000 0.757 348 L CB -0.474 41.327 42.059 -0.431 0.000 0.896 348 L HN 0.413 nan 8.230 nan 0.000 0.434 349 E N -0.849 119.269 120.200 -0.137 0.000 2.072 349 E HA -0.198 4.152 4.350 0.000 0.000 0.190 349 E C 2.335 178.907 176.600 -0.047 0.000 0.982 349 E CA 0.964 57.325 56.400 -0.065 0.000 0.803 349 E CB -0.156 29.538 29.700 -0.011 0.000 0.755 349 E HN 0.485 nan 8.360 nan 0.000 0.453 350 R N 0.503 120.982 120.500 -0.034 0.000 2.096 350 R HA -0.128 4.212 4.340 0.000 0.000 0.235 350 R C 2.467 178.733 176.300 -0.057 0.000 1.127 350 R CA 0.729 56.813 56.100 -0.026 0.000 0.968 350 R CB -0.239 30.066 30.300 0.008 0.000 0.861 350 R HN 0.099 nan 8.270 nan 0.000 0.440 351 L N 0.402 121.578 121.223 -0.079 0.000 1.994 351 L HA -0.125 4.215 4.340 0.000 0.000 0.208 351 L C 2.241 179.068 176.870 -0.073 0.000 1.071 351 L CA 2.146 56.936 54.840 -0.084 0.000 0.745 351 L CB -0.611 41.394 42.059 -0.090 0.000 0.892 351 L HN 0.133 nan 8.230 nan 0.000 0.431 352 A N -0.444 122.328 122.820 -0.080 0.000 1.908 352 A HA -0.174 4.146 4.320 0.000 0.000 0.218 352 A C 2.446 179.989 177.584 -0.068 0.000 1.181 352 A CA 2.075 54.061 52.037 -0.084 0.000 0.627 352 A CB -1.299 17.645 19.000 -0.093 0.000 0.818 352 A HN 0.625 nan 8.150 nan 0.000 0.445 353 A N -0.469 122.318 122.820 -0.056 0.000 1.865 353 A HA -0.175 4.145 4.320 0.000 0.000 0.217 353 A C 2.306 179.862 177.584 -0.047 0.000 1.191 353 A CA 1.984 53.991 52.037 -0.049 0.000 0.623 353 A CB -0.601 18.371 19.000 -0.047 0.000 0.826 353 A HN 0.536 nan 8.150 nan 0.000 0.444 354 M N -1.058 118.513 119.600 -0.050 0.000 2.080 354 M HA -0.127 4.353 4.480 0.000 0.000 0.260 354 M C 2.357 178.635 176.300 -0.038 0.000 1.068 354 M CA 1.725 56.996 55.300 -0.047 0.000 1.109 354 M CB -0.545 32.016 32.600 -0.065 0.000 1.342 354 M HN 0.540 nan 8.290 nan 0.000 0.405 355 L N 0.271 121.470 121.223 -0.040 0.000 1.990 355 L HA -0.287 4.053 4.340 0.000 0.000 0.213 355 L C 2.587 179.446 176.870 -0.019 0.000 1.072 355 L CA 1.420 56.246 54.840 -0.023 0.000 0.755 355 L CB -0.187 41.859 42.059 -0.020 0.000 0.889 355 L HN 0.306 nan 8.230 nan 0.000 0.432 356 M N -0.423 119.156 119.600 -0.035 0.000 2.108 356 M HA -0.168 4.312 4.480 0.000 0.000 0.261 356 M C 2.445 178.737 176.300 -0.013 0.000 1.066 356 M CA 1.827 57.110 55.300 -0.029 0.000 1.107 356 M CB -1.628 30.949 32.600 -0.039 0.000 1.356 356 M HN 0.444 nan 8.290 nan 0.000 0.406 357 A N -0.153 122.657 122.820 -0.016 0.000 2.186 357 A HA -0.085 4.235 4.320 0.000 0.000 0.219 357 A C 1.505 179.089 177.584 -0.001 0.000 1.159 357 A CA 1.787 53.819 52.037 -0.008 0.000 0.680 357 A CB -1.091 17.901 19.000 -0.013 0.000 0.787 357 A HN 0.594 nan 8.150 nan 0.000 0.467 358 T N -2.655 111.899 114.554 -0.000 0.000 3.255 358 T HA 0.539 4.889 4.350 0.000 0.000 0.243 358 T C -0.528 174.180 174.700 0.014 0.000 1.057 358 T CA -0.218 61.886 62.100 0.006 0.000 1.121 358 T CB -0.140 68.731 68.868 0.005 0.000 1.104 358 T HN 0.509 nan 8.240 nan 0.000 0.571 359 V N 0.372 120.296 119.914 0.016 0.000 3.048 359 V HA 0.571 4.691 4.120 0.000 0.000 0.303 359 V C -1.271 174.838 176.094 0.026 0.000 1.214 359 V CA -1.098 61.216 62.300 0.023 0.000 0.984 359 V CB 2.373 34.212 31.823 0.025 0.000 1.054 359 V HN 0.381 nan 8.190 nan 0.000 0.430 360 K N 5.513 125.932 120.400 0.031 0.000 2.021 360 K HA 0.206 4.526 4.320 0.000 0.000 0.238 360 K C 1.148 177.771 176.600 0.039 0.000 1.149 360 K CA 0.184 56.493 56.287 0.037 0.000 1.105 360 K CB -0.008 32.519 32.500 0.044 0.000 1.246 360 K HN 0.595 nan 8.250 nan 0.000 0.307 361 M N 0.535 120.154 119.600 0.033 0.000 2.067 361 M HA -0.162 4.318 4.480 0.000 0.000 0.260 361 M C 1.436 177.756 176.300 0.033 0.000 1.069 361 M CA 1.613 56.931 55.300 0.030 0.000 1.117 361 M CB -0.545 32.072 32.600 0.029 0.000 1.334 361 M HN 0.615 nan 8.290 nan 0.000 0.407 362 E N 0.140 120.364 120.200 0.040 0.000 2.510 362 E HA -0.171 4.179 4.350 0.000 0.000 0.202 362 E C 0.923 177.553 176.600 0.050 0.000 1.072 362 E CA 0.552 56.978 56.400 0.044 0.000 0.883 362 E CB 0.161 29.892 29.700 0.051 0.000 0.818 362 E HN 0.473 nan 8.360 nan 0.000 0.548 363 E N -0.286 119.949 120.200 0.059 0.000 2.810 363 E HA 0.070 4.420 4.350 0.000 0.000 0.214 363 E C 1.285 177.920 176.600 0.059 0.000 0.980 363 E CA -0.180 56.286 56.400 0.110 0.000 1.159 363 E CB 0.351 30.147 29.700 0.160 0.000 1.047 363 E HN 0.248 nan 8.360 nan 0.000 0.484 364 L N -0.097 121.133 121.223 0.012 0.000 2.083 364 L HA -0.019 4.321 4.340 0.000 0.000 0.209 364 L C 2.086 178.940 176.870 -0.027 0.000 1.083 364 L CA 1.681 56.525 54.840 0.007 0.000 0.752 364 L CB -0.149 41.912 42.059 0.005 0.000 0.899 364 L HN 0.313 nan 8.230 nan 0.000 0.433 365 G N -1.699 107.035 108.800 -0.110 0.000 2.448 365 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 365 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 365 G C 1.169 175.972 174.900 -0.161 0.000 1.127 365 G CA 0.432 45.432 45.100 -0.165 0.000 0.766 365 G HN 0.486 nan 8.290 nan 0.000 0.552 366 H N -0.841 118.238 119.070 0.016 0.000 2.547 366 H HA 0.199 4.755 4.556 0.000 0.000 0.266 366 H C 0.908 176.243 175.328 0.012 0.000 0.988 366 H CA -0.258 55.797 56.048 0.011 0.000 1.147 366 H CB 0.126 29.893 29.762 0.009 0.000 1.365 366 H HN 0.231 nan 8.280 nan 0.000 0.589 367 L N 1.086 122.365 121.223 0.093 0.000 2.488 367 L HA 0.164 4.504 4.340 0.000 0.000 0.249 367 L C 1.185 178.083 176.870 0.048 0.000 1.151 367 L CA -0.337 54.543 54.840 0.066 0.000 0.806 367 L CB 0.849 42.940 42.059 0.052 0.000 1.261 367 L HN 0.151 nan 8.230 nan 0.000 0.484 368 T N -2.386 112.191 114.554 0.038 0.000 2.754 368 T HA 0.173 4.523 4.350 0.000 0.000 0.286 368 T C 1.047 175.763 174.700 0.026 0.000 0.997 368 T CA 0.254 62.372 62.100 0.030 0.000 0.982 368 T CB 0.448 69.329 68.868 0.022 0.000 1.027 368 T HN 0.655 nan 8.240 nan 0.000 0.529 369 T N 0.235 114.802 114.554 0.022 0.000 2.639 369 T HA -0.082 4.268 4.350 0.000 0.000 0.261 369 T C 1.782 176.494 174.700 0.021 0.000 1.053 369 T CA 1.374 63.486 62.100 0.019 0.000 1.158 369 T CB -0.555 68.325 68.868 0.019 0.000 0.863 369 T HN 0.832 nan 8.240 nan 0.000 0.413 370 E N 0.821 121.033 120.200 0.020 0.000 2.097 370 E HA -0.245 4.105 4.350 0.000 0.000 0.196 370 E C 2.063 178.688 176.600 0.041 0.000 1.000 370 E CA 1.154 57.567 56.400 0.022 0.000 0.804 370 E CB 0.023 29.727 29.700 0.007 0.000 0.740 370 E HN 0.192 nan 8.360 nan 0.000 0.454 371 K N 0.351 120.774 120.400 0.039 0.000 2.148 371 K HA -0.138 4.182 4.320 0.000 0.000 0.204 371 K C 2.153 178.810 176.600 0.096 0.000 1.050 371 K CA 0.868 57.199 56.287 0.073 0.000 0.942 371 K CB -0.283 32.247 32.500 0.050 0.000 0.724 371 K HN 0.284 nan 8.250 nan 0.000 0.446 372 Q N 0.977 120.807 119.800 0.050 0.000 2.050 372 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 372 Q C 1.798 177.798 176.000 -0.000 0.000 0.980 372 Q CA 1.472 57.289 55.803 0.023 0.000 0.840 372 Q CB 0.182 28.924 28.738 0.007 0.000 0.898 372 Q HN 0.343 nan 8.270 nan 0.000 0.424 373 E N -0.442 119.758 120.200 0.001 0.000 2.012 373 E HA -0.255 4.095 4.350 0.000 0.000 0.197 373 E C 1.816 178.383 176.600 -0.055 0.000 1.007 373 E CA 1.369 57.739 56.400 -0.049 0.000 0.816 373 E CB -0.447 29.236 29.700 -0.028 0.000 0.762 373 E HN 0.385 nan 8.360 nan 0.000 0.451 374 Y N 1.561 121.803 120.300 -0.097 0.000 2.132 374 Y HA -0.362 4.188 4.550 0.000 0.000 0.280 374 Y C 2.094 177.941 175.900 -0.087 0.000 1.193 374 Y CA 1.652 59.700 58.100 -0.087 0.000 1.157 374 Y CB -0.505 37.928 38.460 -0.044 0.000 0.966 374 Y HN 0.057 nan 8.280 nan 0.000 0.511 375 A N -0.064 122.720 122.820 -0.061 0.000 1.828 375 A HA -0.176 4.144 4.320 0.000 0.000 0.215 375 A C 2.114 179.588 177.584 -0.184 0.000 1.203 375 A CA 1.948 53.910 52.037 -0.125 0.000 0.614 375 A CB -1.310 17.682 19.000 -0.014 0.000 0.844 375 A HN 0.420 nan 8.150 nan 0.000 0.445 376 L N -0.312 120.824 121.223 -0.145 0.000 2.042 376 L HA -0.152 4.188 4.340 0.000 0.000 0.210 376 L C 2.586 179.299 176.870 -0.261 0.000 1.076 376 L CA 1.929 56.673 54.840 -0.160 0.000 0.749 376 L CB -0.819 41.155 42.059 -0.142 0.000 0.893 376 L HN 0.406 nan 8.230 nan 0.000 0.432 377 R N -0.186 120.091 120.500 -0.371 0.000 2.122 377 R HA -0.235 4.105 4.340 0.000 0.000 0.236 377 R C 2.269 178.351 176.300 -0.363 0.000 1.129 377 R CA 2.380 58.142 56.100 -0.564 0.000 0.925 377 R CB -0.631 29.375 30.300 -0.489 0.000 0.850 377 R HN 0.425 nan 8.270 nan 0.000 0.431 378 L N -1.393 119.620 121.223 -0.350 0.000 2.362 378 L HA 0.130 4.470 4.340 0.000 0.000 0.219 378 L C 2.115 178.892 176.870 -0.155 0.000 1.134 378 L CA 1.797 56.478 54.840 -0.264 0.000 0.807 378 L CB -0.455 41.350 42.059 -0.423 0.000 0.927 378 L HN 0.058 nan 8.230 nan 0.000 0.447 379 A N -0.042 122.689 122.820 -0.148 0.000 2.019 379 A HA -0.120 4.200 4.320 0.000 0.000 0.219 379 A C 2.269 179.868 177.584 0.025 0.000 1.164 379 A CA 2.101 54.106 52.037 -0.054 0.000 0.644 379 A CB -1.110 17.860 19.000 -0.051 0.000 0.805 379 A HN 0.555 nan 8.150 nan 0.000 0.449 380 T N -0.549 114.010 114.554 0.007 0.000 2.851 380 T HA -0.053 4.297 4.350 0.000 0.000 0.262 380 T C 1.874 176.631 174.700 0.094 0.000 1.043 380 T CA 1.376 63.517 62.100 0.069 0.000 1.140 380 T CB -0.294 68.666 68.868 0.153 0.000 0.872 380 T HN 0.178 nan 8.240 nan 0.000 0.446 381 V N 1.364 121.323 119.914 0.076 0.000 2.407 381 V HA -0.041 4.079 4.120 0.000 0.000 0.248 381 V C 2.702 178.823 176.094 0.046 0.000 1.055 381 V CA 1.976 64.315 62.300 0.065 0.000 1.049 381 V CB -1.059 30.783 31.823 0.032 0.000 0.662 381 V HN 0.589 nan 8.190 nan 0.000 0.455 382 G N -2.324 106.494 108.800 0.030 0.000 2.939 382 G HA2 -0.139 3.821 3.960 0.000 0.000 0.210 382 G HA3 -0.139 3.821 3.960 0.000 0.000 0.210 382 G C 1.274 176.208 174.900 0.056 0.000 1.160 382 G CA 0.203 45.314 45.100 0.019 0.000 0.770 382 G HN 0.492 nan 8.290 nan 0.000 0.543 383 Y N 2.647 122.931 120.300 -0.026 0.000 2.096 383 Y HA -0.195 4.355 4.550 0.000 0.000 0.278 383 Y C 0.117 176.007 175.900 -0.015 0.000 1.192 383 Y CA 2.317 60.403 58.100 -0.022 0.000 1.143 383 Y CB -0.887 37.561 38.460 -0.019 0.000 0.963 383 Y HN 0.245 nan 8.280 nan 0.000 0.505 384 P HA -0.199 nan 4.420 nan 0.000 0.205 384 P C 1.425 178.720 177.300 -0.008 0.000 1.193 384 P CA 1.937 65.100 63.100 0.105 0.000 0.929 384 P CB -0.090 31.684 31.700 0.124 0.000 0.772 385 K N -0.596 119.811 120.400 0.010 0.000 2.293 385 K HA -0.069 4.251 4.320 0.000 0.000 0.204 385 K C 0.795 177.374 176.600 -0.036 0.000 1.045 385 K CA 1.258 57.544 56.287 -0.003 0.000 0.933 385 K CB -0.511 32.005 32.500 0.026 0.000 0.736 385 K HN 0.229 nan 8.250 nan 0.000 0.463 386 A N -2.440 120.338 122.820 -0.071 0.000 2.601 386 A HA 0.552 4.872 4.320 0.000 0.000 0.291 386 A C -0.224 177.269 177.584 -0.151 0.000 1.075 386 A CA 0.019 52.004 52.037 -0.088 0.000 0.671 386 A CB 1.337 20.305 19.000 -0.053 0.000 1.277 386 A HN 0.169 nan 8.150 nan 0.000 0.417 387 G N -0.747 107.974 108.800 -0.132 0.000 2.327 387 G HA2 0.069 4.029 3.960 0.000 0.000 0.159 387 G HA3 0.069 4.029 3.960 0.000 0.000 0.159 387 G C 0.339 175.109 174.900 -0.216 0.000 1.056 387 G CA 0.235 45.237 45.100 -0.162 0.000 0.751 387 G HN 1.542 nan 8.290 nan 0.000 0.488 388 V N -1.196 118.636 119.914 -0.135 0.000 3.129 388 V HA 0.131 4.251 4.120 0.000 0.000 0.259 388 V C 1.370 177.359 176.094 -0.176 0.000 1.116 388 V CA 1.607 63.813 62.300 -0.156 0.000 1.127 388 V CB -0.314 31.466 31.823 -0.072 0.000 0.742 388 V HN 0.524 nan 8.190 nan 0.000 0.474 389 Y N -0.633 119.618 120.300 -0.081 0.000 2.768 389 Y HA 0.427 4.977 4.550 0.000 0.000 0.249 389 Y C 0.907 176.779 175.900 -0.046 0.000 1.146 389 Y CA -0.483 57.586 58.100 -0.052 0.000 1.171 389 Y CB 0.926 39.363 38.460 -0.038 0.000 1.249 389 Y HN 0.104 nan 8.280 nan 0.000 0.567 390 S N -0.347 115.382 115.700 0.048 0.000 2.554 390 S HA 0.477 4.947 4.470 0.000 0.000 0.278 390 S C 1.083 175.693 174.600 0.016 0.000 1.242 390 S CA -0.133 58.083 58.200 0.027 0.000 1.051 390 S CB 0.883 64.074 63.200 -0.015 0.000 0.986 390 S HN 0.532 nan 8.310 nan 0.000 0.502 391 G N 4.559 113.378 108.800 0.032 0.000 3.263 391 G HA2 0.169 4.129 3.960 0.000 0.000 0.246 391 G HA3 0.169 4.129 3.960 0.000 0.000 0.246 391 G C 0.837 175.755 174.900 0.030 0.000 0.982 391 G CA -0.165 44.955 45.100 0.033 0.000 1.897 391 G HN 0.759 nan 8.290 nan 0.000 0.624 392 L N -0.185 121.054 121.223 0.027 0.000 2.005 392 L HA -0.078 4.262 4.340 0.000 0.000 0.207 392 L C 2.615 179.520 176.870 0.058 0.000 1.072 392 L CA 0.882 55.749 54.840 0.046 0.000 0.744 392 L CB -0.209 41.898 42.059 0.081 0.000 0.895 392 L HN 0.312 nan 8.230 nan 0.000 0.433 393 I N 0.079 120.688 120.570 0.064 0.000 2.335 393 I HA -0.202 3.968 4.170 0.000 0.000 0.251 393 I C 2.536 178.691 176.117 0.063 0.000 1.129 393 I CA 1.479 62.809 61.300 0.049 0.000 1.402 393 I CB -1.235 36.783 38.000 0.031 0.000 1.069 393 I HN 0.197 nan 8.210 nan 0.000 0.424 394 G N 0.518 109.352 108.800 0.056 0.000 2.421 394 G HA2 -0.175 3.785 3.960 0.000 0.000 0.216 394 G HA3 -0.175 3.785 3.960 0.000 0.000 0.216 394 G C 1.856 176.794 174.900 0.063 0.000 1.171 394 G CA 0.807 45.944 45.100 0.062 0.000 0.775 394 G HN 0.501 nan 8.290 nan 0.000 0.543 395 G N 1.105 109.934 108.800 0.049 0.000 2.440 395 G HA2 0.022 3.982 3.960 0.000 0.000 0.218 395 G HA3 0.022 3.982 3.960 0.000 0.000 0.218 395 G C 2.044 176.976 174.900 0.054 0.000 1.154 395 G CA 1.533 46.656 45.100 0.038 0.000 0.767 395 G HN 0.681 nan 8.290 nan 0.000 0.552 396 A N 0.106 122.974 122.820 0.079 0.000 2.019 396 A HA 0.014 4.334 4.320 0.000 0.000 0.219 396 A C 2.505 180.242 177.584 0.255 0.000 1.164 396 A CA 2.390 54.512 52.037 0.142 0.000 0.644 396 A CB -0.639 18.424 19.000 0.104 0.000 0.805 396 A HN 0.322 nan 8.150 nan 0.000 0.449 397 T N -0.603 114.078 114.554 0.212 0.000 2.809 397 T HA -0.059 4.291 4.350 0.000 0.000 0.260 397 T C 2.282 177.017 174.700 0.058 0.000 1.039 397 T CA 1.401 63.612 62.100 0.185 0.000 1.141 397 T CB -0.310 68.658 68.868 0.166 0.000 0.869 397 T HN 0.451 nan 8.240 nan 0.000 0.437 398 S N 0.978 116.700 115.700 0.037 0.000 2.365 398 S HA -0.126 4.344 4.470 0.000 0.000 0.225 398 S C 2.247 176.816 174.600 -0.052 0.000 1.039 398 S CA 1.188 59.374 58.200 -0.023 0.000 1.033 398 S CB -0.731 62.448 63.200 -0.035 0.000 0.887 398 S HN 0.318 nan 8.310 nan 0.000 0.447 399 V N 1.821 121.722 119.914 -0.022 0.000 2.343 399 V HA -0.123 3.997 4.120 0.000 0.000 0.247 399 V C 2.063 178.142 176.094 -0.025 0.000 1.051 399 V CA 1.837 64.121 62.300 -0.026 0.000 1.036 399 V CB -0.407 31.414 31.823 -0.004 0.000 0.654 399 V HN 0.465 nan 8.190 nan 0.000 0.451 400 L N -0.205 120.999 121.223 -0.033 0.000 2.027 400 L HA -0.045 4.295 4.340 0.000 0.000 0.206 400 L C 2.220 179.063 176.870 -0.044 0.000 1.074 400 L CA 2.410 57.192 54.840 -0.096 0.000 0.745 400 L CB -1.022 40.834 42.059 -0.338 0.000 0.898 400 L HN 0.384 nan 8.230 nan 0.000 0.433 401 L N -0.524 120.683 121.223 -0.027 0.000 2.021 401 L HA -0.255 4.085 4.340 0.000 0.000 0.215 401 L C 2.539 179.431 176.870 0.037 0.000 1.074 401 L CA 2.291 57.152 54.840 0.036 0.000 0.760 401 L CB -1.045 41.025 42.059 0.018 0.000 0.889 401 L HN 0.384 nan 8.230 nan 0.000 0.433 402 S N -0.364 115.324 115.700 -0.020 0.000 2.359 402 S HA -0.225 4.245 4.470 0.000 0.000 0.224 402 S C 2.096 176.715 174.600 0.031 0.000 1.035 402 S CA 1.254 59.440 58.200 -0.024 0.000 1.018 402 S CB -0.778 62.384 63.200 -0.063 0.000 0.876 402 S HN 0.703 nan 8.310 nan 0.000 0.448 403 A N 0.962 123.812 122.820 0.050 0.000 1.892 403 A HA -0.197 4.123 4.320 0.000 0.000 0.218 403 A C 2.015 179.707 177.584 0.180 0.000 1.188 403 A CA 2.006 54.101 52.037 0.096 0.000 0.631 403 A CB -1.100 17.934 19.000 0.057 0.000 0.822 403 A HN 0.569 nan 8.150 nan 0.000 0.447 404 Y N 1.393 121.697 120.300 0.007 0.000 2.114 404 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 404 Y C 2.127 178.042 175.900 0.025 0.000 1.143 404 Y CA 1.709 59.821 58.100 0.020 0.000 1.135 404 Y CB -1.067 37.392 38.460 -0.002 0.000 0.980 404 Y HN 0.493 nan 8.280 nan 0.000 0.499 405 N N -0.262 118.368 118.700 -0.117 0.000 2.137 405 N HA -0.220 4.520 4.740 0.000 0.000 0.190 405 N C 1.961 177.373 175.510 -0.163 0.000 1.017 405 N CA 0.827 53.735 53.050 -0.237 0.000 0.859 405 N CB -0.254 38.153 38.487 -0.134 0.000 1.002 405 N HN 0.272 nan 8.380 nan 0.000 0.428 406 R N 0.317 120.774 120.500 -0.072 0.000 2.276 406 R HA 0.036 4.376 4.340 0.000 0.000 0.203 406 R C -0.171 175.945 176.300 -0.307 0.000 1.017 406 R CA 0.686 56.701 56.100 -0.141 0.000 1.010 406 R CB 0.175 30.427 30.300 -0.080 0.000 0.900 406 R HN 0.340 nan 8.270 nan 0.000 0.469 407 H N -1.603 117.455 119.070 -0.020 0.000 2.941 407 H HA 0.294 4.850 4.556 0.000 0.000 0.344 407 H C -2.353 172.998 175.328 0.038 0.000 1.235 407 H CA -1.743 54.319 56.048 0.022 0.000 1.149 407 H CB 2.249 32.039 29.762 0.047 0.000 1.885 407 H HN -0.107 nan 8.280 nan 0.000 0.558 408 P HA 0.207 nan 4.420 nan 0.000 0.208 408 P C -0.881 176.576 177.300 0.263 0.000 1.863 408 P CA -0.262 62.947 63.100 0.182 0.000 1.037 408 P CB -0.374 31.413 31.700 0.145 0.000 1.881 409 L N 0.344 121.773 121.223 0.343 0.000 3.601 409 L HA -0.229 4.111 4.340 0.000 0.000 0.469 409 L C -0.274 176.771 176.870 0.291 0.000 1.294 409 L CA 0.741 55.756 54.840 0.292 0.000 0.829 409 L CB -2.641 39.559 42.059 0.234 0.000 1.628 409 L HN 0.328 nan 8.230 nan 0.000 0.868 410 F N -0.298 119.688 119.950 0.060 0.000 2.637 410 F HA 0.362 4.889 4.527 0.000 0.000 0.316 410 F C -1.100 174.643 175.800 -0.095 0.000 1.023 410 F CA -0.656 57.330 58.000 -0.023 0.000 1.071 410 F CB 0.858 39.847 39.000 -0.018 0.000 1.319 410 F HN 0.011 nan 8.300 nan 0.000 0.541 411 Q N 6.192 125.486 119.800 -0.844 0.000 2.245 411 Q HA 0.458 4.798 4.340 0.000 0.000 0.256 411 Q C -2.548 172.744 176.000 -1.180 0.000 0.942 411 Q CA -2.089 53.214 55.803 -0.834 0.000 0.896 411 Q CB 1.578 30.074 28.738 -0.404 0.000 1.272 411 Q HN 0.366 nan 8.270 nan 0.000 0.442 412 P HA -0.059 nan 4.420 nan 0.000 0.261 412 P C 0.835 177.888 177.300 -0.410 0.000 1.173 412 P CA 0.323 63.113 63.100 -0.518 0.000 0.760 412 P CB 0.499 32.043 31.700 -0.260 0.000 0.783 413 L N 2.672 123.723 121.223 -0.286 0.000 2.137 413 L HA -0.204 4.136 4.340 0.000 0.000 0.213 413 L C 0.925 177.487 176.870 -0.513 0.000 1.085 413 L CA 1.560 56.212 54.840 -0.313 0.000 0.760 413 L CB -0.291 41.656 42.059 -0.187 0.000 0.893 413 L HN 0.569 nan 8.230 nan 0.000 0.434 414 H N -1.612 117.431 119.070 -0.044 0.000 2.716 414 H HA 0.193 4.749 4.556 0.000 0.000 0.230 414 H C -0.283 175.027 175.328 -0.029 0.000 1.401 414 H CA -0.140 55.894 56.048 -0.023 0.000 1.168 414 H CB 0.624 30.385 29.762 -0.003 0.000 1.935 414 H HN -0.028 nan 8.280 nan 0.000 0.538 415 T N -0.523 114.038 114.554 0.012 0.000 2.918 415 T HA 0.145 4.495 4.350 0.000 0.000 0.283 415 T C 1.526 176.236 174.700 0.016 0.000 1.001 415 T CA -0.240 61.860 62.100 -0.001 0.000 1.041 415 T CB 1.738 70.566 68.868 -0.066 0.000 1.028 415 T HN 0.173 nan 8.240 nan 0.000 0.511 416 V N 4.858 124.784 119.914 0.021 0.000 2.490 416 V HA -0.055 4.065 4.120 0.000 0.000 0.250 416 V C 2.200 178.300 176.094 0.010 0.000 1.061 416 V CA 2.474 64.788 62.300 0.023 0.000 1.064 416 V CB -0.686 31.151 31.823 0.024 0.000 0.670 416 V HN 0.992 nan 8.190 nan 0.000 0.461 417 M N -0.510 119.089 119.600 -0.001 0.000 2.319 417 M HA -0.085 4.395 4.480 0.000 0.000 0.265 417 M C 2.200 178.485 176.300 -0.026 0.000 1.068 417 M CA 1.825 57.118 55.300 -0.011 0.000 1.118 417 M CB -0.187 32.410 32.600 -0.004 0.000 1.395 417 M HN 0.336 nan 8.290 nan 0.000 0.435 418 R N 0.583 121.067 120.500 -0.027 0.000 2.083 418 R HA -0.252 4.088 4.340 0.000 0.000 0.237 418 R C 1.925 178.200 176.300 -0.042 0.000 1.137 418 R CA 2.275 58.371 56.100 -0.008 0.000 0.951 418 R CB -0.373 29.923 30.300 -0.006 0.000 0.851 418 R HN 0.416 nan 8.270 nan 0.000 0.434 419 E N -0.567 119.630 120.200 -0.005 0.000 2.160 419 E HA -0.151 4.199 4.350 0.000 0.000 0.195 419 E C 1.482 178.082 176.600 -0.001 0.000 0.991 419 E CA 2.215 58.636 56.400 0.035 0.000 0.810 419 E CB -0.254 29.485 29.700 0.064 0.000 0.742 419 E HN 0.430 nan 8.360 nan 0.000 0.466 420 T N 0.525 115.048 114.554 -0.052 0.000 2.668 420 T HA -0.125 4.225 4.350 0.000 0.000 0.262 420 T C 1.675 176.284 174.700 -0.151 0.000 1.045 420 T CA 1.423 63.472 62.100 -0.085 0.000 1.152 420 T CB -0.373 68.463 68.868 -0.053 0.000 0.864 420 T HN 0.087 nan 8.240 nan 0.000 0.419 421 L N 0.581 121.697 121.223 -0.178 0.000 2.189 421 L HA -0.032 4.308 4.340 0.000 0.000 0.214 421 L C 2.062 178.587 176.870 -0.574 0.000 1.097 421 L CA 1.335 56.048 54.840 -0.211 0.000 0.764 421 L CB -0.943 41.093 42.059 -0.039 0.000 0.900 421 L HN 0.228 nan 8.230 nan 0.000 0.436 422 F N 0.139 119.409 119.950 -1.134 0.000 2.146 422 F HA -0.148 4.379 4.527 0.000 0.000 0.298 422 F C 2.249 177.824 175.800 -0.374 0.000 1.096 422 F CA 1.298 58.570 58.000 -1.213 0.000 1.275 422 F CB -0.286 38.235 39.000 -0.799 0.000 1.008 422 F HN -0.025 nan 8.300 nan 0.000 0.480 423 I N 0.300 120.634 120.570 -0.394 0.000 2.286 423 I HA -0.202 3.968 4.170 0.000 0.000 0.248 423 I C 2.718 178.708 176.117 -0.212 0.000 1.115 423 I CA 1.406 62.526 61.300 -0.300 0.000 1.392 423 I CB -1.357 36.384 38.000 -0.432 0.000 1.065 423 I HN 0.315 nan 8.210 nan 0.000 0.418 424 G N 0.597 109.284 108.800 -0.189 0.000 2.403 424 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 424 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 424 G C 1.814 176.651 174.900 -0.106 0.000 1.154 424 G CA 0.925 45.973 45.100 -0.086 0.000 0.784 424 G HN 0.494 nan 8.290 nan 0.000 0.538 425 S N 0.463 116.084 115.700 -0.131 0.000 2.387 425 S HA -0.268 4.202 4.470 0.000 0.000 0.230 425 S C 2.089 176.541 174.600 -0.246 0.000 1.035 425 S CA 1.744 59.853 58.200 -0.152 0.000 1.014 425 S CB -0.820 62.415 63.200 0.059 0.000 0.836 425 S HN 0.515 nan 8.310 nan 0.000 0.466 426 H N 0.471 119.438 119.070 -0.171 0.000 2.290 426 H HA -0.019 4.537 4.556 0.000 0.000 0.298 426 H C 2.502 177.694 175.328 -0.227 0.000 1.087 426 H CA 1.685 57.625 56.048 -0.180 0.000 1.291 426 H CB -0.996 28.673 29.762 -0.155 0.000 1.369 426 H HN 0.402 nan 8.280 nan 0.000 0.492 427 V N 1.185 121.045 119.914 -0.091 0.000 2.913 427 V HA -0.135 3.985 4.120 0.000 0.000 0.260 427 V C 2.231 178.177 176.094 -0.247 0.000 1.098 427 V CA 0.867 63.039 62.300 -0.213 0.000 1.121 427 V CB -0.430 31.345 31.823 -0.079 0.000 0.714 427 V HN 0.132 nan 8.190 nan 0.000 0.487 428 V N -0.726 119.037 119.914 -0.253 0.000 2.426 428 V HA -0.081 4.039 4.120 0.000 0.000 0.242 428 V C 2.244 178.193 176.094 -0.240 0.000 1.036 428 V CA 1.573 63.684 62.300 -0.315 0.000 1.044 428 V CB -0.388 31.042 31.823 -0.655 0.000 0.688 428 V HN 0.517 nan 8.190 nan 0.000 0.462 429 L N 0.381 121.477 121.223 -0.211 0.000 1.989 429 L HA -0.178 4.162 4.340 0.000 0.000 0.211 429 L C 2.622 179.409 176.870 -0.138 0.000 1.071 429 L CA 2.088 56.844 54.840 -0.139 0.000 0.749 429 L CB -0.659 41.342 42.059 -0.097 0.000 0.890 429 L HN 0.152 nan 8.230 nan 0.000 0.431 430 R N -0.850 119.527 120.500 -0.205 0.000 2.119 430 R HA -0.273 4.067 4.340 0.000 0.000 0.246 430 R C 2.268 178.469 176.300 -0.165 0.000 1.146 430 R CA 1.921 57.867 56.100 -0.257 0.000 0.962 430 R CB -0.243 29.724 30.300 -0.555 0.000 0.863 430 R HN 0.449 nan 8.270 nan 0.000 0.442 431 E N 0.509 120.618 120.200 -0.152 0.000 2.031 431 E HA -0.173 4.177 4.350 0.000 0.000 0.193 431 E C 1.938 178.568 176.600 0.050 0.000 0.994 431 E CA 1.374 57.782 56.400 0.013 0.000 0.800 431 E CB -0.309 29.393 29.700 0.003 0.000 0.752 431 E HN 0.291 nan 8.360 nan 0.000 0.447 432 L N 0.340 121.579 121.223 0.026 0.000 2.013 432 L HA -0.219 4.121 4.340 0.000 0.000 0.212 432 L C 2.584 179.512 176.870 0.096 0.000 1.073 432 L CA 1.528 56.444 54.840 0.125 0.000 0.753 432 L CB -0.458 41.621 42.059 0.033 0.000 0.890 432 L HN 0.081 nan 8.230 nan 0.000 0.432 433 R N -0.230 120.265 120.500 -0.007 0.000 2.200 433 R HA -0.071 4.269 4.340 0.000 0.000 0.234 433 R C 0.734 177.025 176.300 -0.016 0.000 1.127 433 R CA 0.638 56.701 56.100 -0.063 0.000 0.989 433 R CB -0.904 29.350 30.300 -0.075 0.000 0.869 433 R HN 0.180 nan 8.270 nan 0.000 0.459 434 L N 1.714 122.992 121.223 0.092 0.000 2.470 434 L HA -0.022 4.318 4.340 0.000 0.000 0.243 434 L C 1.519 178.501 176.870 0.188 0.000 1.227 434 L CA 0.658 55.575 54.840 0.129 0.000 0.824 434 L CB 0.192 42.337 42.059 0.143 0.000 1.175 434 L HN 0.229 nan 8.230 nan 0.000 0.503 435 N N -1.194 117.607 118.700 0.167 0.000 2.177 435 N HA 0.037 4.777 4.740 0.000 0.000 0.218 435 N C -0.763 174.894 175.510 0.246 0.000 1.182 435 N CA -0.007 53.157 53.050 0.190 0.000 0.882 435 N CB 0.438 38.993 38.487 0.113 0.000 1.052 435 N HN 0.216 nan 8.380 nan 0.000 0.519 436 V N 2.426 122.458 119.914 0.197 0.000 2.320 436 V HA 0.173 4.293 4.120 0.000 0.000 0.265 436 V C 0.574 176.666 176.094 -0.004 0.000 1.048 436 V CA -0.631 61.717 62.300 0.080 0.000 0.865 436 V CB 0.196 32.018 31.823 -0.003 0.000 1.043 436 V HN 0.254 nan 8.190 nan 0.000 0.474 437 T N 1.461 116.027 114.554 0.020 0.000 3.826 437 T HA 0.111 4.461 4.350 0.000 0.000 0.239 437 T C 0.408 175.023 174.700 -0.141 0.000 1.007 437 T CA -0.214 61.812 62.100 -0.123 0.000 1.171 437 T CB -1.033 67.862 68.868 0.045 0.000 1.153 437 T HN 0.617 nan 8.240 nan 0.000 0.854 438 T N 3.678 118.107 114.554 -0.208 0.000 2.779 438 T HA 0.366 4.716 4.350 0.000 0.000 0.280 438 T C 0.367 174.983 174.700 -0.141 0.000 0.987 438 T CA -0.891 61.110 62.100 -0.164 0.000 0.966 438 T CB 1.281 70.020 68.868 -0.216 0.000 0.933 438 T HN 0.631 nan 8.240 nan 0.000 0.442 439 Q N 0.598 120.351 119.800 -0.078 0.000 2.494 439 Q HA -0.220 4.120 4.340 0.000 0.000 0.266 439 Q C 1.569 177.542 176.000 -0.044 0.000 1.053 439 Q CA 0.587 56.367 55.803 -0.038 0.000 1.029 439 Q CB -1.975 26.745 28.738 -0.030 0.000 1.423 439 Q HN 1.022 nan 8.270 nan 0.000 0.516 440 G N 1.219 109.978 108.800 -0.067 0.000 2.476 440 G HA2 -0.200 3.760 3.960 0.000 0.000 0.218 440 G HA3 -0.200 3.760 3.960 0.000 0.000 0.218 440 G C -0.947 173.962 174.900 0.015 0.000 1.164 440 G CA 1.391 46.461 45.100 -0.051 0.000 0.768 440 G HN 0.365 nan 8.290 nan 0.000 0.560 441 P HA -0.090 nan 4.420 nan 0.000 0.216 441 P C 1.544 178.880 177.300 0.060 0.000 1.153 441 P CA 1.368 64.498 63.100 0.050 0.000 0.848 441 P CB -0.064 31.666 31.700 0.050 0.000 0.787 442 N N -0.843 117.890 118.700 0.054 0.000 2.244 442 N HA -0.123 4.617 4.740 0.000 0.000 0.183 442 N C 1.554 177.119 175.510 0.092 0.000 1.016 442 N CA 0.695 53.788 53.050 0.071 0.000 0.866 442 N CB -0.720 37.803 38.487 0.060 0.000 0.980 442 N HN 0.031 nan 8.380 nan 0.000 0.430 443 L N -0.497 120.765 121.223 0.066 0.000 2.127 443 L HA 0.196 4.536 4.340 0.000 0.000 0.203 443 L C 2.112 179.051 176.870 0.115 0.000 1.080 443 L CA 1.151 56.037 54.840 0.077 0.000 0.768 443 L CB -0.559 41.505 42.059 0.008 0.000 0.924 443 L HN 0.131 nan 8.230 nan 0.000 0.444 444 A N 0.214 123.088 122.820 0.090 0.000 1.948 444 A HA -0.277 4.043 4.320 0.000 0.000 0.220 444 A C 2.198 179.834 177.584 0.087 0.000 1.177 444 A CA 2.121 54.214 52.037 0.093 0.000 0.636 444 A CB -1.041 18.006 19.000 0.079 0.000 0.815 444 A HN 0.543 nan 8.150 nan 0.000 0.449 445 L N -1.516 119.760 121.223 0.088 0.000 1.989 445 L HA -0.196 4.144 4.340 0.000 0.000 0.211 445 L C 2.262 179.186 176.870 0.090 0.000 1.071 445 L CA 2.599 57.480 54.840 0.069 0.000 0.749 445 L CB -1.126 40.993 42.059 0.100 0.000 0.890 445 L HN 0.504 nan 8.230 nan 0.000 0.431 446 Y N 0.190 120.504 120.300 0.024 0.000 2.102 446 Y HA -0.374 4.176 4.550 0.000 0.000 0.280 446 Y C 2.633 178.533 175.900 -0.001 0.000 1.178 446 Y CA 2.380 60.492 58.100 0.020 0.000 1.146 446 Y CB -0.102 38.374 38.460 0.026 0.000 0.968 446 Y HN 0.437 nan 8.280 nan 0.000 0.504 447 Q N -0.635 119.319 119.800 0.257 0.000 2.050 447 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 447 Q C 2.218 178.235 176.000 0.029 0.000 0.980 447 Q CA 1.625 57.518 55.803 0.150 0.000 0.840 447 Q CB -0.485 28.325 28.738 0.119 0.000 0.898 447 Q HN 0.498 nan 8.270 nan 0.000 0.424 448 L N 1.167 122.384 121.223 -0.010 0.000 1.990 448 L HA -0.218 4.122 4.340 0.000 0.000 0.213 448 L C 2.084 178.880 176.870 -0.123 0.000 1.072 448 L CA 1.719 56.505 54.840 -0.090 0.000 0.755 448 L CB -0.687 41.254 42.059 -0.196 0.000 0.889 448 L HN 0.186 nan 8.230 nan 0.000 0.432 449 L N -0.672 120.468 121.223 -0.139 0.000 1.971 449 L HA -0.271 4.069 4.340 0.000 0.000 0.215 449 L C 2.669 179.327 176.870 -0.354 0.000 1.072 449 L CA 1.906 56.570 54.840 -0.293 0.000 0.758 449 L CB -1.259 40.642 42.059 -0.264 0.000 0.889 449 L HN 0.513 nan 8.230 nan 0.000 0.433 450 S N -1.244 114.315 115.700 -0.235 0.000 2.387 450 S HA -0.220 4.250 4.470 0.000 0.000 0.230 450 S C 1.905 176.416 174.600 -0.148 0.000 1.035 450 S CA 1.884 59.985 58.200 -0.164 0.000 1.014 450 S CB -1.079 62.109 63.200 -0.020 0.000 0.836 450 S HN 0.409 nan 8.310 nan 0.000 0.466 451 T N 2.922 117.402 114.554 -0.124 0.000 2.652 451 T HA -0.025 4.325 4.350 0.000 0.000 0.267 451 T C 2.264 176.900 174.700 -0.106 0.000 1.039 451 T CA 1.575 63.608 62.100 -0.112 0.000 1.153 451 T CB -0.924 67.889 68.868 -0.092 0.000 0.863 451 T HN 0.642 nan 8.240 nan 0.000 0.428 452 A N 1.093 123.836 122.820 -0.129 0.000 1.908 452 A HA -0.008 4.312 4.320 0.000 0.000 0.218 452 A C 2.284 179.807 177.584 -0.102 0.000 1.181 452 A CA 1.288 53.268 52.037 -0.094 0.000 0.627 452 A CB -0.939 17.985 19.000 -0.125 0.000 0.818 452 A HN 0.482 nan 8.150 nan 0.000 0.445 453 L N -1.060 120.045 121.223 -0.197 0.000 2.265 453 L HA -0.158 4.182 4.340 0.000 0.000 0.215 453 L C 1.833 178.671 176.870 -0.052 0.000 1.117 453 L CA 0.544 55.313 54.840 -0.118 0.000 0.782 453 L CB -0.352 41.605 42.059 -0.169 0.000 0.914 453 L HN 0.547 nan 8.230 nan 0.000 0.441 454 c N 1.104 119.659 118.600 -0.074 0.000 2.694 454 c HA 0.178 4.748 4.570 0.000 0.000 0.455 454 c C 1.651 175.723 174.090 -0.030 0.000 1.293 454 c CA -0.895 55.400 56.329 -0.057 0.000 1.614 454 c CB -2.322 40.144 42.510 -0.073 0.000 2.015 454 c HN 0.459 nan 8.230 nan 0.000 0.608 455 S N 0.882 116.579 115.700 -0.005 0.000 2.608 455 S HA 0.473 4.943 4.470 0.000 0.000 0.261 455 S C 1.417 175.990 174.600 -0.045 0.000 1.314 455 S CA 0.168 58.368 58.200 -0.001 0.000 0.992 455 S CB 1.131 64.357 63.200 0.043 0.000 0.935 455 S HN 0.799 nan 8.310 nan 0.000 0.564 456 A N 0.627 123.409 122.820 -0.063 0.000 2.024 456 A HA -0.040 4.280 4.320 0.000 0.000 0.220 456 A C 2.021 179.512 177.584 -0.154 0.000 1.164 456 A CA 1.488 53.464 52.037 -0.102 0.000 0.643 456 A CB -0.953 17.983 19.000 -0.106 0.000 0.806 456 A HN 0.845 nan 8.150 nan 0.000 0.451 457 L N -0.327 120.791 121.223 -0.175 0.000 2.072 457 L HA -0.086 4.254 4.340 0.000 0.000 0.205 457 L C 2.339 178.963 176.870 -0.409 0.000 1.079 457 L CA 2.525 57.162 54.840 -0.338 0.000 0.752 457 L CB -0.521 41.313 42.059 -0.374 0.000 0.906 457 L HN 0.553 nan 8.230 nan 0.000 0.436 458 E N 0.203 120.314 120.200 -0.149 0.000 2.001 458 E HA -0.279 4.071 4.350 0.000 0.000 0.195 458 E C 2.244 178.781 176.600 -0.104 0.000 1.002 458 E CA 2.207 58.644 56.400 0.061 0.000 0.819 458 E CB -0.762 29.002 29.700 0.107 0.000 0.769 458 E HN 0.470 nan 8.360 nan 0.000 0.454 459 I N 0.020 120.499 120.570 -0.152 0.000 2.315 459 I HA -0.226 3.944 4.170 0.000 0.000 0.251 459 I C 1.966 177.902 176.117 -0.301 0.000 1.125 459 I CA 1.867 63.005 61.300 -0.270 0.000 1.392 459 I CB -0.468 37.432 38.000 -0.166 0.000 1.065 459 I HN 0.336 nan 8.210 nan 0.000 0.424 460 G N -0.054 108.608 108.800 -0.230 0.000 2.404 460 G HA2 -0.200 3.760 3.960 0.000 0.000 0.214 460 G HA3 -0.200 3.760 3.960 0.000 0.000 0.214 460 G C 1.472 176.246 174.900 -0.210 0.000 1.189 460 G CA 0.335 45.306 45.100 -0.215 0.000 0.789 460 G HN 0.317 nan 8.290 nan 0.000 0.533 461 E N 0.459 120.529 120.200 -0.216 0.000 2.110 461 E HA -0.080 4.270 4.350 0.000 0.000 0.193 461 E C 2.869 179.402 176.600 -0.112 0.000 0.988 461 E CA 0.550 56.866 56.400 -0.139 0.000 0.804 461 E CB -0.570 29.085 29.700 -0.076 0.000 0.745 461 E HN 0.260 nan 8.360 nan 0.000 0.458 462 V N 1.201 121.015 119.914 -0.168 0.000 2.287 462 V HA -0.273 3.847 4.120 0.000 0.000 0.248 462 V C 2.429 178.384 176.094 -0.232 0.000 1.053 462 V CA 1.392 63.556 62.300 -0.226 0.000 1.027 462 V CB -0.459 31.115 31.823 -0.415 0.000 0.646 462 V HN 0.159 nan 8.190 nan 0.000 0.447 463 L N -0.292 120.759 121.223 -0.287 0.000 1.994 463 L HA -0.153 4.187 4.340 0.000 0.000 0.208 463 L C 2.555 179.359 176.870 -0.111 0.000 1.071 463 L CA 2.113 56.830 54.840 -0.205 0.000 0.745 463 L CB -1.069 40.869 42.059 -0.203 0.000 0.892 463 L HN 0.311 nan 8.230 nan 0.000 0.431 464 R N -0.039 120.399 120.500 -0.103 0.000 2.112 464 R HA -0.186 4.154 4.340 0.000 0.000 0.242 464 R C 2.208 178.489 176.300 -0.032 0.000 1.137 464 R CA 2.026 58.089 56.100 -0.062 0.000 0.944 464 R CB -1.314 28.949 30.300 -0.062 0.000 0.857 464 R HN 0.371 nan 8.270 nan 0.000 0.435 465 G N 0.288 109.071 108.800 -0.028 0.000 2.440 465 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 465 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 465 G C 1.527 176.437 174.900 0.016 0.000 1.154 465 G CA 1.003 46.109 45.100 0.010 0.000 0.767 465 G HN 0.319 nan 8.290 nan 0.000 0.552 466 L N 0.600 121.820 121.223 -0.006 0.000 2.012 466 L HA -0.115 4.225 4.340 0.000 0.000 0.210 466 L C 3.443 180.322 176.870 0.014 0.000 1.073 466 L CA 1.204 56.052 54.840 0.013 0.000 0.748 466 L CB -0.436 41.629 42.059 0.011 0.000 0.891 466 L HN 0.323 nan 8.230 nan 0.000 0.431 467 A N -0.094 122.725 122.820 -0.001 0.000 1.877 467 A HA -0.155 4.165 4.320 0.000 0.000 0.216 467 A C 2.127 179.716 177.584 0.008 0.000 1.186 467 A CA 1.404 53.442 52.037 0.001 0.000 0.620 467 A CB -0.734 18.260 19.000 -0.010 0.000 0.822 467 A HN 0.388 nan 8.150 nan 0.000 0.443 468 L N -0.828 120.401 121.223 0.010 0.000 2.610 468 L HA 0.107 4.447 4.340 0.000 0.000 0.232 468 L C 1.663 178.549 176.870 0.027 0.000 1.149 468 L CA 0.492 55.342 54.840 0.017 0.000 0.872 468 L CB -0.417 41.653 42.059 0.018 0.000 0.992 468 L HN 0.633 nan 8.230 nan 0.000 0.447 469 G N 0.202 109.020 108.800 0.031 0.000 2.179 469 G HA2 -0.370 3.590 3.960 0.000 0.000 0.257 469 G HA3 -0.370 3.590 3.960 0.000 0.000 0.257 469 G C 0.941 175.873 174.900 0.053 0.000 1.010 469 G CA 0.756 45.880 45.100 0.039 0.000 0.736 469 G HN 0.428 nan 8.290 nan 0.000 0.513 470 T N -3.077 111.522 114.554 0.074 0.000 3.009 470 T HA 0.321 4.671 4.350 0.000 0.000 0.258 470 T C 0.830 175.651 174.700 0.201 0.000 1.063 470 T CA 1.359 63.528 62.100 0.115 0.000 1.139 470 T CB 0.424 69.382 68.868 0.150 0.000 0.890 470 T HN 0.430 nan 8.240 nan 0.000 0.471 471 E N 1.641 121.937 120.200 0.161 0.000 2.166 471 E HA 0.472 4.822 4.350 0.000 0.000 0.275 471 E C 1.086 177.740 176.600 0.091 0.000 0.941 471 E CA -0.218 56.267 56.400 0.141 0.000 0.784 471 E CB 1.847 31.562 29.700 0.024 0.000 1.115 471 E HN 0.229 nan 8.360 nan 0.000 0.399 472 S N 3.093 118.846 115.700 0.089 0.000 2.406 472 S HA 0.112 4.582 4.470 0.000 0.000 0.228 472 S C 1.503 176.144 174.600 0.067 0.000 1.020 472 S CA 0.416 58.651 58.200 0.059 0.000 0.965 472 S CB -0.381 62.840 63.200 0.036 0.000 0.798 472 S HN 1.191 nan 8.310 nan 0.000 0.488 473 G N 0.831 109.679 108.800 0.081 0.000 2.132 473 G HA2 -0.214 3.746 3.960 0.000 0.000 0.228 473 G HA3 -0.214 3.746 3.960 0.000 0.000 0.228 473 G C 0.356 175.369 174.900 0.188 0.000 1.000 473 G CA 0.321 45.512 45.100 0.152 0.000 0.693 473 G HN 0.616 nan 8.290 nan 0.000 0.515 474 L N -0.652 120.621 121.223 0.083 0.000 2.093 474 L HA 0.577 4.917 4.340 0.000 0.000 0.208 474 L C 0.925 177.908 176.870 0.190 0.000 1.085 474 L CA 2.097 56.949 54.840 0.020 0.000 0.755 474 L CB -0.152 41.778 42.059 -0.215 0.000 0.904 474 L HN 0.590 nan 8.230 nan 0.000 0.435 475 F N -0.982 118.967 119.950 -0.001 0.000 2.599 475 F HA 0.599 5.127 4.527 0.000 0.000 0.311 475 F C -0.675 175.063 175.800 -0.103 0.000 1.076 475 F CA -0.310 57.755 58.000 0.108 0.000 0.937 475 F CB 1.571 40.577 39.000 0.011 0.000 1.282 475 F HN -0.197 nan 8.300 nan 0.000 0.460 476 S N 4.727 119.415 115.700 -1.687 0.000 2.556 476 S HA 0.378 4.848 4.470 0.000 0.000 0.280 476 S C -2.557 171.202 174.600 -1.401 0.000 1.141 476 S CA -1.012 56.334 58.200 -1.424 0.000 0.883 476 S CB 1.908 64.522 63.200 -0.977 0.000 1.103 476 S HN 0.487 nan 8.310 nan 0.000 0.453 477 P HA 0.017 nan 4.420 nan 0.000 0.226 477 P C 1.261 178.400 177.300 -0.269 0.000 1.146 477 P CA 0.770 63.640 63.100 -0.383 0.000 0.773 477 P CB -0.413 31.169 31.700 -0.197 0.000 0.772 478 c N -1.743 116.647 118.600 -0.350 0.000 2.457 478 c HA -0.079 4.491 4.570 0.000 0.000 0.278 478 c C 2.483 176.514 174.090 -0.098 0.000 1.309 478 c CA 0.296 56.509 56.329 -0.193 0.000 1.735 478 c CB -2.135 40.318 42.510 -0.096 0.000 1.992 478 c HN 0.180 nan 8.230 nan 0.000 0.493 479 Y N 0.946 121.146 120.300 -0.167 0.000 2.446 479 Y HA -0.067 4.483 4.550 0.000 0.000 0.287 479 Y C 1.776 177.637 175.900 -0.066 0.000 1.159 479 Y CA 1.033 59.051 58.100 -0.135 0.000 1.297 479 Y CB -0.735 37.651 38.460 -0.124 0.000 0.974 479 Y HN 0.305 nan 8.280 nan 0.000 0.557 480 L N -1.898 119.384 121.223 0.098 0.000 3.086 480 L HA 0.187 4.527 4.340 0.000 0.000 0.274 480 L C 0.995 177.895 176.870 0.049 0.000 1.184 480 L CA -0.015 54.879 54.840 0.091 0.000 1.002 480 L CB -0.092 42.053 42.059 0.143 0.000 1.383 480 L HN -0.089 nan 8.230 nan 0.000 0.582 481 S N 0.151 115.838 115.700 -0.022 0.000 2.589 481 S HA 0.281 4.751 4.470 0.000 0.000 0.265 481 S C 0.569 175.036 174.600 -0.222 0.000 1.342 481 S CA -0.283 57.859 58.200 -0.096 0.000 1.005 481 S CB 0.511 63.631 63.200 -0.133 0.000 0.909 481 S HN 0.221 nan 8.310 nan 0.000 0.555 482 L N 0.973 122.025 121.223 -0.285 0.000 2.978 482 L HA 0.340 4.680 4.340 0.000 0.000 0.239 482 L C 1.064 177.374 176.870 -0.934 0.000 1.293 482 L CA -0.150 54.349 54.840 -0.568 0.000 1.085 482 L CB -0.280 41.725 42.059 -0.091 0.000 1.432 482 L HN 0.570 nan 8.230 nan 0.000 0.512 483 R N 1.012 121.047 120.500 -0.774 0.000 2.369 483 R HA 0.206 4.546 4.340 0.000 0.000 0.310 483 R C -0.494 175.525 176.300 -0.467 0.000 1.141 483 R CA -0.436 55.377 56.100 -0.479 0.000 1.116 483 R CB 0.200 30.374 30.300 -0.209 0.000 1.135 483 R HN 0.107 nan 8.270 nan 0.000 0.529 484 F N 1.129 121.114 119.950 0.058 0.000 2.713 484 F HA 0.134 4.661 4.527 0.000 0.000 0.294 484 F C 1.418 177.247 175.800 0.048 0.000 1.152 484 F CA -0.476 57.556 58.000 0.052 0.000 1.385 484 F CB 0.183 39.219 39.000 0.061 0.000 0.981 484 F HN 0.412 nan 8.300 nan 0.000 0.514 485 D N 0.869 121.342 120.400 0.121 0.000 2.240 485 D HA -0.031 4.609 4.640 0.000 0.000 0.206 485 D C 0.703 177.051 176.300 0.080 0.000 0.963 485 D CA 0.461 54.519 54.000 0.097 0.000 0.863 485 D CB 0.135 40.971 40.800 0.059 0.000 0.973 485 D HN 0.119 nan 8.370 nan 0.000 0.501 486 L N 1.627 122.895 121.223 0.075 0.000 2.530 486 L HA 0.357 4.697 4.340 0.000 0.000 0.273 486 L C 0.592 177.516 176.870 0.089 0.000 1.141 486 L CA -0.241 54.649 54.840 0.083 0.000 0.905 486 L CB -0.379 41.749 42.059 0.115 0.000 1.202 486 L HN 0.017 nan 8.230 nan 0.000 0.473 487 T N -0.439 114.158 114.554 0.073 0.000 2.841 487 T HA 0.531 4.881 4.350 0.000 0.000 0.276 487 T C 1.056 175.791 174.700 0.059 0.000 1.003 487 T CA -0.656 61.483 62.100 0.064 0.000 0.995 487 T CB 1.347 70.246 68.868 0.052 0.000 1.260 487 T HN 0.481 nan 8.240 nan 0.000 0.581 488 R N 0.793 121.322 120.500 0.048 0.000 2.096 488 R HA -0.132 4.208 4.340 0.000 0.000 0.240 488 R C 1.726 178.046 176.300 0.033 0.000 1.139 488 R CA 2.447 58.572 56.100 0.042 0.000 0.952 488 R CB -1.304 29.014 30.300 0.031 0.000 0.854 488 R HN 0.775 nan 8.270 nan 0.000 0.436 489 D N -0.431 119.985 120.400 0.026 0.000 2.110 489 D HA -0.130 4.510 4.640 0.000 0.000 0.202 489 D C 1.685 177.993 176.300 0.013 0.000 0.975 489 D CA 1.152 55.162 54.000 0.016 0.000 0.839 489 D CB -0.244 40.564 40.800 0.013 0.000 0.996 489 D HN 0.083 nan 8.370 nan 0.000 0.464 490 K N 1.523 121.935 120.400 0.020 0.000 2.074 490 K HA -0.126 4.194 4.320 0.000 0.000 0.209 490 K C 2.217 178.824 176.600 0.011 0.000 1.048 490 K CA 0.909 57.205 56.287 0.015 0.000 0.926 490 K CB -0.713 31.803 32.500 0.028 0.000 0.713 490 K HN 0.079 nan 8.250 nan 0.000 0.444 491 L N 0.032 121.273 121.223 0.031 0.000 2.083 491 L HA -0.104 4.236 4.340 0.000 0.000 0.209 491 L C 2.373 179.240 176.870 -0.005 0.000 1.083 491 L CA 0.987 55.846 54.840 0.031 0.000 0.752 491 L CB -0.269 41.843 42.059 0.088 0.000 0.899 491 L HN 0.218 nan 8.230 nan 0.000 0.433 492 L N -1.183 120.040 121.223 0.000 0.000 2.353 492 L HA -0.195 4.145 4.340 0.000 0.000 0.220 492 L C 2.418 179.270 176.870 -0.031 0.000 1.133 492 L CA 0.728 55.560 54.840 -0.014 0.000 0.798 492 L CB -0.043 42.012 42.059 -0.006 0.000 0.922 492 L HN 0.261 nan 8.230 nan 0.000 0.445 493 S N -0.700 114.981 115.700 -0.032 0.000 2.362 493 S HA -0.132 4.338 4.470 0.000 0.000 0.221 493 S C 1.736 176.297 174.600 -0.064 0.000 1.032 493 S CA 1.081 59.253 58.200 -0.047 0.000 0.973 493 S CB -0.102 63.072 63.200 -0.045 0.000 0.849 493 S HN 0.273 nan 8.310 nan 0.000 0.465 494 M N 1.748 121.307 119.600 -0.067 0.000 2.374 494 M HA 0.178 4.658 4.480 0.000 0.000 0.264 494 M C 0.900 177.139 176.300 -0.103 0.000 1.067 494 M CA 0.127 55.373 55.300 -0.091 0.000 1.103 494 M CB -0.728 31.813 32.600 -0.098 0.000 1.402 494 M HN 0.218 nan 8.290 nan 0.000 0.444 495 A N 2.133 124.900 122.820 -0.089 0.000 2.561 495 A HA 0.210 4.530 4.320 0.000 0.000 0.234 495 A C -2.029 175.506 177.584 -0.083 0.000 1.055 495 A CA -0.950 51.034 52.037 -0.088 0.000 0.756 495 A CB -1.001 17.961 19.000 -0.064 0.000 0.986 495 A HN 0.215 nan 8.150 nan 0.000 0.505 496 P HA 0.072 nan 4.420 nan 0.000 0.271 496 P C -1.014 176.251 177.300 -0.059 0.000 1.220 496 P CA 0.108 63.163 63.100 -0.075 0.000 0.768 496 P CB 0.662 32.318 31.700 -0.074 0.000 0.848 497 Q N 3.015 122.781 119.800 -0.056 0.000 2.503 497 Q HA 0.305 4.645 4.340 0.000 0.000 0.227 497 Q C -0.283 175.694 176.000 -0.039 0.000 1.109 497 Q CA 0.195 55.971 55.803 -0.046 0.000 0.922 497 Q CB 0.935 29.645 28.738 -0.048 0.000 1.249 497 Q HN 0.540 nan 8.270 nan 0.000 0.530 498 E N 0.035 120.215 120.200 -0.033 0.000 2.352 498 E HA 0.409 4.759 4.350 0.000 0.000 0.280 498 E C -0.352 176.236 176.600 -0.021 0.000 0.930 498 E CA -0.438 55.946 56.400 -0.027 0.000 0.765 498 E CB 1.567 31.250 29.700 -0.028 0.000 1.219 498 E HN 0.473 nan 8.360 nan 0.000 0.434 499 A N 1.202 124.011 122.820 -0.017 0.000 2.167 499 A HA -0.042 4.278 4.320 0.000 0.000 0.214 499 A C 1.514 179.092 177.584 -0.011 0.000 1.151 499 A CA 1.021 53.050 52.037 -0.013 0.000 0.735 499 A CB -0.324 18.669 19.000 -0.011 0.000 0.802 499 A HN 0.549 nan 8.150 nan 0.000 0.467 500 T N -0.221 114.326 114.554 -0.012 0.000 3.118 500 T HA 0.237 4.587 4.350 0.000 0.000 0.260 500 T C -0.019 174.676 174.700 -0.009 0.000 1.139 500 T CA 0.496 62.590 62.100 -0.009 0.000 1.085 500 T CB -0.300 68.563 68.868 -0.009 0.000 0.934 500 T HN 0.156 nan 8.240 nan 0.000 0.518 501 L N 1.600 122.816 121.223 -0.012 0.000 2.333 501 L HA 0.421 4.761 4.340 0.000 0.000 0.280 501 L C -0.249 176.615 176.870 -0.010 0.000 1.004 501 L CA -0.956 53.877 54.840 -0.011 0.000 0.820 501 L CB 1.464 43.513 42.059 -0.018 0.000 1.247 501 L HN -0.122 nan 8.230 nan 0.000 0.416 502 D N 2.121 122.517 120.400 -0.006 0.000 2.368 502 D HA -0.027 4.613 4.640 0.000 0.000 0.268 502 D C 1.108 177.404 176.300 -0.006 0.000 1.298 502 D CA 0.318 54.315 54.000 -0.005 0.000 0.938 502 D CB 0.863 41.663 40.800 -0.001 0.000 1.101 502 D HN 0.389 nan 8.370 nan 0.000 0.509 503 Q N 3.076 122.872 119.800 -0.008 0.000 2.217 503 Q HA -0.270 4.070 4.340 0.000 0.000 0.209 503 Q C 1.733 177.730 176.000 -0.005 0.000 0.988 503 Q CA 1.651 57.449 55.803 -0.009 0.000 0.878 503 Q CB -0.273 28.460 28.738 -0.008 0.000 0.909 503 Q HN 0.695 nan 8.270 nan 0.000 0.424 504 A N 0.724 123.542 122.820 -0.003 0.000 1.872 504 A HA 0.011 4.331 4.320 0.000 0.000 0.214 504 A C 2.360 179.945 177.584 0.002 0.000 1.187 504 A CA 1.617 53.654 52.037 -0.000 0.000 0.614 504 A CB -0.672 18.329 19.000 0.001 0.000 0.826 504 A HN 0.370 nan 8.150 nan 0.000 0.442 505 A N -0.290 122.531 122.820 0.001 0.000 1.908 505 A HA -0.048 4.272 4.320 0.000 0.000 0.218 505 A C 2.216 179.801 177.584 0.002 0.000 1.181 505 A CA 1.933 53.972 52.037 0.004 0.000 0.627 505 A CB -1.058 17.944 19.000 0.003 0.000 0.818 505 A HN 0.433 nan 8.150 nan 0.000 0.445 506 V N -0.399 119.512 119.914 -0.004 0.000 2.287 506 V HA -0.263 3.857 4.120 0.000 0.000 0.248 506 V C 2.768 178.861 176.094 -0.002 0.000 1.053 506 V CA 2.379 64.674 62.300 -0.009 0.000 1.027 506 V CB -1.100 30.712 31.823 -0.017 0.000 0.646 506 V HN 0.663 nan 8.190 nan 0.000 0.447 507 S N 0.376 116.076 115.700 0.001 0.000 2.365 507 S HA -0.267 4.203 4.470 0.000 0.000 0.225 507 S C 1.955 176.565 174.600 0.017 0.000 1.039 507 S CA 2.068 60.273 58.200 0.008 0.000 1.033 507 S CB -0.538 62.666 63.200 0.006 0.000 0.887 507 S HN 0.695 nan 8.310 nan 0.000 0.447 508 N N 1.746 120.456 118.700 0.016 0.000 2.104 508 N HA -0.081 4.659 4.740 0.000 0.000 0.190 508 N C 1.968 177.499 175.510 0.036 0.000 1.024 508 N CA 1.386 54.450 53.050 0.023 0.000 0.853 508 N CB -0.915 37.583 38.487 0.019 0.000 1.008 508 N HN 0.528 nan 8.380 nan 0.000 0.424 509 A N 1.273 124.111 122.820 0.031 0.000 1.865 509 A HA -0.115 4.205 4.320 0.000 0.000 0.217 509 A C 2.591 180.219 177.584 0.073 0.000 1.191 509 A CA 1.775 53.836 52.037 0.041 0.000 0.623 509 A CB -0.961 18.043 19.000 0.007 0.000 0.826 509 A HN 0.109 nan 8.150 nan 0.000 0.444 510 V N 0.745 120.688 119.914 0.050 0.000 2.287 510 V HA -0.302 3.818 4.120 0.000 0.000 0.248 510 V C 2.225 178.390 176.094 0.117 0.000 1.053 510 V CA 2.348 64.695 62.300 0.077 0.000 1.027 510 V CB -0.937 30.910 31.823 0.040 0.000 0.646 510 V HN 0.527 nan 8.190 nan 0.000 0.447 511 D N 0.546 120.992 120.400 0.076 0.000 2.097 511 D HA -0.128 4.512 4.640 0.000 0.000 0.195 511 D C 2.218 178.562 176.300 0.074 0.000 0.989 511 D CA 1.832 55.870 54.000 0.063 0.000 0.827 511 D CB -0.421 40.402 40.800 0.037 0.000 0.966 511 D HN 0.494 nan 8.370 nan 0.000 0.456 512 G N 0.594 109.445 108.800 0.084 0.000 2.459 512 G HA2 -0.303 3.657 3.960 0.000 0.000 0.217 512 G HA3 -0.303 3.657 3.960 0.000 0.000 0.217 512 G C 1.503 176.479 174.900 0.127 0.000 1.183 512 G CA 0.454 45.605 45.100 0.085 0.000 0.776 512 G HN 0.190 nan 8.290 nan 0.000 0.552 513 F N 1.020 120.987 119.950 0.028 0.000 2.065 513 F HA -0.098 4.429 4.527 0.000 0.000 0.298 513 F C 2.425 178.260 175.800 0.059 0.000 1.112 513 F CA 1.597 59.633 58.000 0.060 0.000 1.212 513 F CB -0.602 38.424 39.000 0.043 0.000 0.975 513 F HN 0.111 nan 8.300 nan 0.000 0.476 514 L N 0.476 121.760 121.223 0.103 0.000 2.081 514 L HA -0.094 4.246 4.340 0.000 0.000 0.212 514 L C 2.406 179.234 176.870 -0.070 0.000 1.080 514 L CA 2.223 57.062 54.840 -0.001 0.000 0.754 514 L CB -1.474 40.620 42.059 0.059 0.000 0.893 514 L HN 0.240 nan 8.230 nan 0.000 0.433 515 G N -1.049 107.722 108.800 -0.048 0.000 2.434 515 G HA2 -0.320 3.640 3.960 0.000 0.000 0.214 515 G HA3 -0.320 3.640 3.960 0.000 0.000 0.214 515 G C 1.744 176.562 174.900 -0.136 0.000 1.202 515 G CA 0.678 45.736 45.100 -0.071 0.000 0.788 515 G HN 0.418 nan 8.290 nan 0.000 0.539 516 R N -0.140 120.257 120.500 -0.172 0.000 2.200 516 R HA 0.128 4.468 4.340 0.000 0.000 0.234 516 R C 2.400 178.447 176.300 -0.422 0.000 1.127 516 R CA 0.777 56.705 56.100 -0.285 0.000 0.989 516 R CB -0.306 29.823 30.300 -0.285 0.000 0.869 516 R HN 0.419 nan 8.270 nan 0.000 0.459 517 L N 0.241 121.245 121.223 -0.364 0.000 2.109 517 L HA -0.096 4.244 4.340 0.000 0.000 0.207 517 L C 2.085 178.849 176.870 -0.177 0.000 1.086 517 L CA 1.561 56.219 54.840 -0.303 0.000 0.760 517 L CB -0.149 41.715 42.059 -0.325 0.000 0.910 517 L HN 0.348 nan 8.230 nan 0.000 0.437 518 S N -1.256 114.360 115.700 -0.140 0.000 2.522 518 S HA -0.022 4.448 4.470 0.000 0.000 0.227 518 S C 1.657 176.195 174.600 -0.104 0.000 0.986 518 S CA 0.335 58.484 58.200 -0.085 0.000 0.929 518 S CB -0.109 63.055 63.200 -0.060 0.000 0.769 518 S HN 0.430 nan 8.310 nan 0.000 0.529 519 L N -0.007 121.125 121.223 -0.151 0.000 2.362 519 L HA 0.315 4.655 4.340 0.000 0.000 0.204 519 L C 2.789 179.559 176.870 -0.168 0.000 1.060 519 L CA 0.786 55.536 54.840 -0.150 0.000 0.827 519 L CB -0.333 41.631 42.059 -0.159 0.000 1.027 519 L HN 0.252 nan 8.230 nan 0.000 0.474 520 E N 0.815 120.868 120.200 -0.244 0.000 2.150 520 E HA -0.104 4.246 4.350 0.000 0.000 0.193 520 E C 1.031 177.547 176.600 -0.140 0.000 0.985 520 E CA 0.742 56.996 56.400 -0.244 0.000 0.814 520 E CB 0.254 29.657 29.700 -0.495 0.000 0.752 520 E HN 0.094 nan 8.360 nan 0.000 0.466 521 R N 0.400 120.833 120.500 -0.111 0.000 2.393 521 R HA 0.306 4.646 4.340 0.000 0.000 0.310 521 R C -0.497 175.779 176.300 -0.039 0.000 0.968 521 R CA -0.349 55.731 56.100 -0.033 0.000 0.867 521 R CB 0.962 31.283 30.300 0.035 0.000 1.124 521 R HN -0.015 nan 8.270 nan 0.000 0.450 522 E N 1.219 121.387 120.200 -0.053 0.000 2.390 522 E HA 0.128 4.478 4.350 0.000 0.000 0.249 522 E C -0.328 176.215 176.600 -0.095 0.000 0.981 522 E CA -0.689 55.652 56.400 -0.098 0.000 0.860 522 E CB 1.300 30.898 29.700 -0.168 0.000 1.278 522 E HN 0.592 nan 8.360 nan 0.000 0.416 523 D N -0.220 120.089 120.400 -0.153 0.000 2.216 523 D HA -0.063 4.577 4.640 0.000 0.000 0.208 523 D C 1.351 177.470 176.300 -0.302 0.000 0.960 523 D CA 0.696 54.614 54.000 -0.136 0.000 0.861 523 D CB 0.172 40.936 40.800 -0.060 0.000 0.985 523 D HN 0.269 nan 8.370 nan 0.000 0.493 524 R N 0.790 120.914 120.500 -0.627 0.000 2.323 524 R HA 0.032 4.372 4.340 0.000 0.000 0.198 524 R C 0.271 176.128 176.300 -0.737 0.000 0.988 524 R CA 0.502 55.780 56.100 -1.371 0.000 1.041 524 R CB -0.091 29.236 30.300 -1.622 0.000 0.926 524 R HN 0.053 nan 8.270 nan 0.000 0.476 525 D N 2.825 123.011 120.400 -0.356 0.000 2.092 525 D HA -0.118 4.522 4.640 0.000 0.000 0.193 525 D C 1.002 177.256 176.300 -0.077 0.000 0.994 525 D CA 1.969 55.875 54.000 -0.155 0.000 0.828 525 D CB -0.083 40.702 40.800 -0.024 0.000 0.963 525 D HN 0.398 nan 8.370 nan 0.000 0.450 526 A N -0.529 122.269 122.820 -0.036 0.000 3.163 526 A HA 0.133 4.453 4.320 0.000 0.000 0.283 526 A C 0.609 178.125 177.584 -0.113 0.000 1.412 526 A CA -0.473 51.585 52.037 0.034 0.000 1.053 526 A CB -0.834 18.289 19.000 0.204 0.000 1.082 526 A HN 0.158 nan 8.150 nan 0.000 0.639 527 W N -0.816 120.216 121.300 -0.448 0.000 2.494 527 W HA 0.040 4.700 4.660 0.000 0.000 0.286 527 W C 1.908 178.267 176.519 -0.266 0.000 1.218 527 W CA 0.973 57.993 57.345 -0.541 0.000 1.313 527 W CB -0.414 28.752 29.460 -0.491 0.000 1.105 527 W HN 0.645 nan 8.180 nan 0.000 0.561 528 H N -0.093 119.053 119.070 0.127 0.000 2.489 528 H HA -0.003 4.553 4.556 0.000 0.000 0.295 528 H C 0.723 176.095 175.328 0.074 0.000 1.082 528 H CA 0.811 56.910 56.048 0.084 0.000 1.295 528 H CB -0.645 29.155 29.762 0.064 0.000 1.380 528 H HN -0.072 nan 8.280 nan 0.000 0.548 529 L N 2.372 123.711 121.223 0.192 0.000 2.477 529 L HA -0.008 4.332 4.340 0.000 0.000 0.272 529 L C -0.996 175.970 176.870 0.161 0.000 1.157 529 L CA -1.252 53.692 54.840 0.173 0.000 0.889 529 L CB 0.653 42.831 42.059 0.198 0.000 1.158 529 L HN -0.009 nan 8.230 nan 0.000 0.473 530 P HA -0.204 nan 4.420 nan 0.000 0.215 530 P C 1.271 178.625 177.300 0.090 0.000 1.157 530 P CA 1.387 64.542 63.100 0.092 0.000 0.874 530 P CB 0.274 32.016 31.700 0.070 0.000 0.790 531 A N -2.013 120.865 122.820 0.097 0.000 2.121 531 A HA -0.199 4.121 4.320 0.000 0.000 0.218 531 A C 2.107 179.741 177.584 0.083 0.000 1.154 531 A CA 0.895 52.974 52.037 0.070 0.000 0.679 531 A CB -1.786 17.250 19.000 0.061 0.000 0.795 531 A HN 0.134 nan 8.150 nan 0.000 0.458 532 Y N 1.460 121.769 120.300 0.016 0.000 2.102 532 Y HA -0.306 4.244 4.550 0.000 0.000 0.280 532 Y C 1.940 177.809 175.900 -0.053 0.000 1.178 532 Y CA 2.448 60.547 58.100 -0.002 0.000 1.146 532 Y CB -0.249 38.215 38.460 0.007 0.000 0.968 532 Y HN 0.365 nan 8.280 nan 0.000 0.504 533 K N -1.128 119.294 120.400 0.038 0.000 2.520 533 K HA -0.130 4.190 4.320 0.000 0.000 0.197 533 K C 1.346 177.879 176.600 -0.112 0.000 1.043 533 K CA 0.943 57.195 56.287 -0.059 0.000 0.944 533 K CB -0.472 32.010 32.500 -0.030 0.000 0.770 533 K HN 0.321 nan 8.250 nan 0.000 0.480 534 c N 0.591 119.121 118.600 -0.117 0.000 2.855 534 c HA 0.190 4.760 4.570 0.000 0.000 0.279 534 c C 0.420 174.429 174.090 -0.135 0.000 1.270 534 c CA -0.722 55.543 56.329 -0.106 0.000 1.702 534 c CB -0.572 41.897 42.510 -0.069 0.000 1.949 534 c HN 0.019 nan 8.230 nan 0.000 0.618 535 V N 2.036 121.823 119.914 -0.211 0.000 2.328 535 V HA 0.238 4.358 4.120 0.000 0.000 0.278 535 V C 0.229 176.209 176.094 -0.190 0.000 1.021 535 V CA -0.012 62.167 62.300 -0.201 0.000 0.838 535 V CB 1.084 32.757 31.823 -0.251 0.000 0.999 535 V HN 0.244 nan 8.190 nan 0.000 0.447 536 D N 3.107 123.430 120.400 -0.129 0.000 2.087 536 D HA -0.025 4.615 4.640 0.000 0.000 0.203 536 D C 1.186 177.428 176.300 -0.095 0.000 0.976 536 D CA 1.289 55.226 54.000 -0.105 0.000 0.865 536 D CB 0.109 40.860 40.800 -0.081 0.000 1.005 536 D HN 0.405 nan 8.370 nan 0.000 0.449 537 R N 1.943 122.399 120.500 -0.074 0.000 3.266 537 R HA 0.145 4.485 4.340 0.000 0.000 0.224 537 R C 1.291 177.554 176.300 -0.062 0.000 1.525 537 R CA -0.092 55.975 56.100 -0.054 0.000 1.364 537 R CB -0.179 30.104 30.300 -0.030 0.000 1.276 537 R HN 0.321 nan 8.270 nan 0.000 0.660 538 L N -0.644 120.521 121.223 -0.096 0.000 2.362 538 L HA -0.063 4.277 4.340 0.000 0.000 0.219 538 L C 1.422 178.245 176.870 -0.079 0.000 1.134 538 L CA 1.122 55.889 54.840 -0.122 0.000 0.807 538 L CB -0.294 41.645 42.059 -0.200 0.000 0.927 538 L HN 0.293 nan 8.230 nan 0.000 0.447 539 D N 0.722 121.094 120.400 -0.047 0.000 2.269 539 D HA -0.190 4.450 4.640 0.000 0.000 0.208 539 D C 1.008 177.309 176.300 0.002 0.000 0.963 539 D CA 0.851 54.836 54.000 -0.025 0.000 0.864 539 D CB -0.192 40.601 40.800 -0.012 0.000 0.936 539 D HN 0.528 nan 8.370 nan 0.000 0.505 540 K N 0.982 121.388 120.400 0.011 0.000 2.577 540 K HA 0.233 4.553 4.320 0.000 0.000 0.210 540 K C -0.291 176.346 176.600 0.063 0.000 1.048 540 K CA -0.206 56.106 56.287 0.041 0.000 1.188 540 K CB 1.554 34.082 32.500 0.047 0.000 0.910 540 K HN 0.004 nan 8.250 nan 0.000 0.483 541 V N 2.359 122.308 119.914 0.058 0.000 2.383 541 V HA 0.110 4.230 4.120 0.000 0.000 0.275 541 V C 1.428 177.633 176.094 0.185 0.000 1.036 541 V CA -0.217 62.146 62.300 0.105 0.000 0.889 541 V CB 1.145 33.009 31.823 0.067 0.000 0.985 541 V HN 0.290 nan 8.190 nan 0.000 0.459 542 L N 4.514 125.845 121.223 0.181 0.000 2.049 542 L HA 0.219 4.559 4.340 0.000 0.000 0.203 542 L C 0.746 177.758 176.870 0.237 0.000 1.074 542 L CA 1.322 56.270 54.840 0.180 0.000 0.749 542 L CB -0.059 42.065 42.059 0.108 0.000 0.907 542 L HN 0.741 nan 8.230 nan 0.000 0.439 543 M N -0.152 119.582 119.600 0.224 0.000 2.449 543 M HA 0.435 4.915 4.480 0.000 0.000 0.291 543 M C -1.779 174.644 176.300 0.205 0.000 1.148 543 M CA -0.724 54.685 55.300 0.182 0.000 0.925 543 M CB 2.336 34.957 32.600 0.035 0.000 1.767 543 M HN 0.021 nan 8.290 nan 0.000 0.503 544 I N 1.114 121.821 120.570 0.228 0.000 2.404 544 I HA 0.642 4.812 4.170 0.000 0.000 0.293 544 I C -1.216 174.996 176.117 0.159 0.000 0.992 544 I CA -0.954 60.481 61.300 0.224 0.000 1.149 544 I CB 1.709 39.880 38.000 0.285 0.000 1.315 544 I HN 0.760 nan 8.210 nan 0.000 0.446 545 I N 6.417 127.095 120.570 0.181 0.000 2.388 545 I HA 0.364 4.534 4.170 0.000 0.000 0.281 545 I C -2.434 173.771 176.117 0.146 0.000 1.046 545 I CA -1.885 59.501 61.300 0.143 0.000 1.187 545 I CB 1.147 39.246 38.000 0.165 0.000 1.351 545 I HN 0.299 nan 8.210 nan 0.000 0.472 546 P HA 0.155 nan 4.420 nan 0.000 0.269 546 P C -0.513 176.782 177.300 -0.008 0.000 1.252 546 P CA -0.066 63.066 63.100 0.052 0.000 0.780 546 P CB 0.630 32.357 31.700 0.044 0.000 0.829 547 L N 3.701 124.962 121.223 0.064 0.000 2.492 547 L HA 0.392 4.732 4.340 0.000 0.000 0.263 547 L C 1.762 178.693 176.870 0.101 0.000 1.062 547 L CA -0.542 54.350 54.840 0.086 0.000 0.817 547 L CB 0.085 42.293 42.059 0.249 0.000 1.441 547 L HN 0.261 nan 8.230 nan 0.000 0.493 548 I N 0.097 120.773 120.570 0.176 0.000 2.110 548 I HA -0.201 3.969 4.170 0.000 0.000 0.236 548 I C 1.310 177.504 176.117 0.127 0.000 1.068 548 I CA 1.247 62.646 61.300 0.165 0.000 1.333 548 I CB -0.226 37.903 38.000 0.214 0.000 1.054 548 I HN 0.608 nan 8.210 nan 0.000 0.402 549 N N 0.068 118.851 118.700 0.138 0.000 2.299 549 N HA 0.100 4.840 4.740 0.000 0.000 0.187 549 N C -0.019 175.527 175.510 0.060 0.000 1.099 549 N CA 0.413 53.522 53.050 0.098 0.000 0.867 549 N CB 1.056 39.608 38.487 0.109 0.000 0.974 549 N HN 0.303 nan 8.380 nan 0.000 0.477 550 V N -2.945 117.003 119.914 0.056 0.000 3.112 550 V HA 0.753 4.873 4.120 0.000 0.000 0.310 550 V C -0.929 175.151 176.094 -0.023 0.000 1.364 550 V CA -0.814 61.467 62.300 -0.031 0.000 1.058 550 V CB 1.601 33.338 31.823 -0.143 0.000 1.079 550 V HN 0.067 nan 8.190 nan 0.000 0.463 551 T N -1.272 113.211 114.554 -0.119 0.000 3.293 551 T HA 0.670 5.020 4.350 0.000 0.000 0.320 551 T C -1.174 173.461 174.700 -0.108 0.000 0.995 551 T CA -0.049 62.037 62.100 -0.024 0.000 1.041 551 T CB 0.673 69.560 68.868 0.032 0.000 1.058 551 T HN 0.615 nan 8.240 nan 0.000 0.453 552 F N 2.242 122.237 119.950 0.076 0.000 2.384 552 F HA 0.610 5.137 4.527 0.000 0.000 0.338 552 F C 0.619 176.473 175.800 0.091 0.000 1.103 552 F CA -1.099 56.952 58.000 0.084 0.000 1.157 552 F CB 1.058 40.106 39.000 0.081 0.000 1.167 552 F HN 0.479 nan 8.300 nan 0.000 0.529 553 I N 5.207 125.932 120.570 0.260 0.000 2.437 553 I HA 0.249 4.419 4.170 0.000 0.000 0.279 553 I C -0.971 175.270 176.117 0.207 0.000 1.028 553 I CA -0.573 60.845 61.300 0.197 0.000 1.142 553 I CB 0.934 39.004 38.000 0.117 0.000 1.266 553 I HN 0.316 nan 8.210 nan 0.000 0.461 554 I N 6.183 126.872 120.570 0.199 0.000 2.352 554 I HA 0.276 4.446 4.170 0.000 0.000 0.290 554 I C 0.576 176.786 176.117 0.156 0.000 1.036 554 I CA 0.660 62.060 61.300 0.167 0.000 1.336 554 I CB 0.966 39.038 38.000 0.121 0.000 1.407 554 I HN 0.624 nan 8.210 nan 0.000 0.497 555 S N 2.483 118.284 115.700 0.168 0.000 2.656 555 S HA 0.489 4.959 4.470 0.000 0.000 0.273 555 S C 0.071 174.789 174.600 0.197 0.000 1.168 555 S CA -0.266 58.030 58.200 0.160 0.000 0.817 555 S CB 1.370 64.656 63.200 0.142 0.000 1.146 555 S HN 0.475 nan 8.310 nan 0.000 0.475 556 S N -0.145 115.656 115.700 0.168 0.000 2.583 556 S HA 0.314 4.784 4.470 0.000 0.000 0.239 556 S C -0.331 174.463 174.600 0.323 0.000 0.966 556 S CA -0.309 57.991 58.200 0.168 0.000 0.973 556 S CB -0.944 62.299 63.200 0.072 0.000 0.794 556 S HN 0.853 nan 8.310 nan 0.000 0.463 557 D N 0.742 121.366 120.400 0.372 0.000 2.879 557 D HA 0.175 4.815 4.640 0.000 0.000 0.236 557 D C 0.081 176.333 176.300 -0.079 0.000 1.171 557 D CA -0.861 53.255 54.000 0.194 0.000 0.868 557 D CB 1.281 42.120 40.800 0.065 0.000 1.598 557 D HN 0.299 nan 8.370 nan 0.000 0.497 558 R N 0.640 120.865 120.500 -0.458 0.000 2.555 558 R HA 0.174 4.514 4.340 0.000 0.000 0.272 558 R C -0.006 176.102 176.300 -0.321 0.000 1.089 558 R CA -0.321 55.351 56.100 -0.714 0.000 1.126 558 R CB 0.077 29.780 30.300 -0.995 0.000 1.250 558 R HN 0.230 nan 8.270 nan 0.000 0.551 559 E N 0.888 120.976 120.200 -0.187 0.000 2.318 559 E HA 0.031 4.381 4.350 0.000 0.000 0.193 559 E C 0.526 177.059 176.600 -0.110 0.000 0.998 559 E CA 0.224 56.549 56.400 -0.125 0.000 0.859 559 E CB 0.223 29.872 29.700 -0.086 0.000 0.812 559 E HN 0.133 nan 8.360 nan 0.000 0.492 560 V N 3.532 123.385 119.914 -0.102 0.000 2.644 560 V HA -0.131 3.989 4.120 0.000 0.000 0.305 560 V C 1.099 177.141 176.094 -0.087 0.000 1.053 560 V CA 0.591 62.841 62.300 -0.082 0.000 1.186 560 V CB -0.078 31.715 31.823 -0.049 0.000 0.895 560 V HN 0.253 nan 8.190 nan 0.000 0.490 561 R N 3.557 124.010 120.500 -0.080 0.000 4.306 561 R HA 0.452 4.792 4.340 0.000 0.000 0.266 561 R C 0.681 176.941 176.300 -0.066 0.000 1.624 561 R CA 0.020 56.076 56.100 -0.074 0.000 1.487 561 R CB 0.065 30.323 30.300 -0.070 0.000 1.441 561 R HN 0.693 nan 8.270 nan 0.000 0.750 562 G N 0.446 109.207 108.800 -0.065 0.000 3.152 562 G HA2 -0.009 3.951 3.960 0.000 0.000 0.157 562 G HA3 -0.009 3.951 3.960 0.000 0.000 0.157 562 G C 0.434 175.297 174.900 -0.063 0.000 1.786 562 G CA -0.264 44.798 45.100 -0.063 0.000 1.055 562 G HN 0.311 nan 8.290 nan 0.000 0.528 563 S N -0.684 114.977 115.700 -0.065 0.000 2.539 563 S HA 0.612 5.082 4.470 0.000 0.000 0.226 563 S C 0.530 175.090 174.600 -0.066 0.000 1.054 563 S CA 0.487 58.652 58.200 -0.058 0.000 0.910 563 S CB 0.672 63.841 63.200 -0.052 0.000 0.818 563 S HN 0.996 nan 8.310 nan 0.000 0.490 564 A N 0.672 123.448 122.820 -0.074 0.000 2.602 564 A HA 0.787 5.107 4.320 0.000 0.000 0.290 564 A C -2.244 175.263 177.584 -0.128 0.000 1.114 564 A CA -0.565 51.395 52.037 -0.128 0.000 0.683 564 A CB 1.026 19.918 19.000 -0.179 0.000 1.281 564 A HN 0.183 nan 8.150 nan 0.000 0.416 565 L N 0.527 121.629 121.223 -0.202 0.000 2.356 565 L HA 0.772 5.112 4.340 0.000 0.000 0.277 565 L C -1.837 174.945 176.870 -0.147 0.000 0.996 565 L CA -0.238 54.528 54.840 -0.122 0.000 0.822 565 L CB 1.213 43.182 42.059 -0.150 0.000 1.256 565 L HN 0.636 nan 8.230 nan 0.000 0.413 566 Y N 2.685 123.078 120.300 0.155 0.000 2.446 566 Y HA 0.657 5.207 4.550 0.000 0.000 0.338 566 Y C -0.258 175.790 175.900 0.246 0.000 1.055 566 Y CA -0.604 57.597 58.100 0.169 0.000 1.101 566 Y CB 1.958 40.507 38.460 0.148 0.000 1.221 566 Y HN 0.597 nan 8.280 nan 0.000 0.460 567 E N 1.592 122.004 120.200 0.353 0.000 2.278 567 E HA 0.714 5.064 4.350 0.000 0.000 0.272 567 E C -1.453 175.171 176.600 0.041 0.000 0.890 567 E CA -0.826 55.669 56.400 0.159 0.000 0.770 567 E CB 1.302 31.106 29.700 0.173 0.000 1.212 567 E HN 0.783 nan 8.360 nan 0.000 0.415 568 A N 2.249 125.011 122.820 -0.097 0.000 2.366 568 A HA 0.229 4.549 4.320 0.000 0.000 0.249 568 A C 1.065 178.616 177.584 -0.056 0.000 1.084 568 A CA 0.376 52.345 52.037 -0.114 0.000 0.794 568 A CB 0.469 19.229 19.000 -0.399 0.000 1.034 568 A HN 0.807 nan 8.150 nan 0.000 0.491 569 S N 0.059 115.765 115.700 0.010 0.000 2.453 569 S HA -0.030 4.440 4.470 0.000 0.000 0.231 569 S C 1.062 175.708 174.600 0.076 0.000 1.005 569 S CA 1.051 59.271 58.200 0.034 0.000 0.949 569 S CB -0.637 62.580 63.200 0.027 0.000 0.774 569 S HN 0.933 nan 8.310 nan 0.000 0.510 570 T N 2.769 117.399 114.554 0.127 0.000 2.901 570 T HA 0.331 4.681 4.350 0.000 0.000 0.301 570 T C 0.850 175.594 174.700 0.074 0.000 1.012 570 T CA 0.580 62.802 62.100 0.202 0.000 1.135 570 T CB 0.699 69.758 68.868 0.317 0.000 0.936 570 T HN 0.474 nan 8.240 nan 0.000 0.539 571 T N 1.983 116.588 114.554 0.085 0.000 3.144 571 T HA 0.182 4.532 4.350 0.000 0.000 0.290 571 T C 1.174 175.860 174.700 -0.023 0.000 0.966 571 T CA -0.369 61.720 62.100 -0.019 0.000 0.907 571 T CB -0.477 68.351 68.868 -0.067 0.000 1.152 571 T HN 0.620 nan 8.240 nan 0.000 0.532 572 Y N 1.972 122.276 120.300 0.006 0.000 2.207 572 Y HA 0.134 4.684 4.550 0.000 0.000 0.287 572 Y C 1.135 177.029 175.900 -0.010 0.000 1.156 572 Y CA 0.493 58.597 58.100 0.007 0.000 1.182 572 Y CB -0.520 37.953 38.460 0.022 0.000 0.979 572 Y HN 0.220 nan 8.280 nan 0.000 0.521 573 L N -0.882 120.421 121.223 0.134 0.000 2.473 573 L HA -0.051 4.289 4.340 0.000 0.000 0.265 573 L C 1.685 178.567 176.870 0.020 0.000 1.243 573 L CA 0.543 55.417 54.840 0.058 0.000 0.822 573 L CB -0.014 42.054 42.059 0.016 0.000 1.101 573 L HN -0.087 nan 8.230 nan 0.000 0.507 574 S N -1.030 114.677 115.700 0.012 0.000 2.351 574 S HA -0.118 4.352 4.470 0.000 0.000 0.220 574 S C 0.928 175.523 174.600 -0.008 0.000 1.035 574 S CA 1.507 59.709 58.200 0.004 0.000 1.031 574 S CB -0.169 63.037 63.200 0.009 0.000 0.928 574 S HN 0.673 nan 8.310 nan 0.000 0.433 575 S N 0.219 115.910 115.700 -0.015 0.000 2.618 575 S HA 0.564 5.034 4.470 0.000 0.000 0.284 575 S C 0.223 174.766 174.600 -0.094 0.000 1.102 575 S CA -0.807 57.375 58.200 -0.029 0.000 0.984 575 S CB 1.133 64.334 63.200 0.002 0.000 1.280 575 S HN 0.300 nan 8.310 nan 0.000 0.525 576 S N 0.516 116.109 115.700 -0.178 0.000 2.713 576 S HA 0.579 5.049 4.470 0.000 0.000 0.283 576 S C -1.060 173.243 174.600 -0.494 0.000 1.161 576 S CA -0.511 57.442 58.200 -0.412 0.000 0.999 576 S CB 0.836 63.595 63.200 -0.734 0.000 1.039 576 S HN 0.403 nan 8.310 nan 0.000 0.548 577 L N 2.622 123.507 121.223 -0.564 0.000 2.301 577 L HA 0.544 4.884 4.340 0.000 0.000 0.278 577 L C -1.667 174.954 176.870 -0.415 0.000 1.022 577 L CA -0.096 54.500 54.840 -0.407 0.000 0.854 577 L CB -0.535 41.291 42.059 -0.389 0.000 1.226 577 L HN 0.404 nan 8.230 nan 0.000 0.429 578 F N 4.496 124.443 119.950 -0.006 0.000 2.440 578 F HA 0.618 5.145 4.527 0.000 0.000 0.328 578 F C -0.134 175.713 175.800 0.078 0.000 1.070 578 F CA -0.716 57.308 58.000 0.039 0.000 1.011 578 F CB 1.339 40.362 39.000 0.038 0.000 1.226 578 F HN 0.131 nan 8.300 nan 0.000 0.491 579 L N 1.668 123.123 121.223 0.386 0.000 2.471 579 L HA 0.338 4.678 4.340 0.000 0.000 0.263 579 L C -0.814 176.277 176.870 0.369 0.000 0.985 579 L CA -0.128 54.923 54.840 0.351 0.000 0.868 579 L CB 1.481 43.739 42.059 0.333 0.000 1.203 579 L HN 0.457 nan 8.230 nan 0.000 0.429 580 S N 4.720 120.578 115.700 0.263 0.000 2.420 580 S HA 0.481 4.951 4.470 0.000 0.000 0.313 580 S C -2.485 172.161 174.600 0.077 0.000 1.079 580 S CA -1.046 57.240 58.200 0.143 0.000 1.104 580 S CB 1.046 64.279 63.200 0.056 0.000 0.969 580 S HN 0.283 nan 8.310 nan 0.000 0.471 581 P HA 0.320 nan 4.420 nan 0.000 0.301 581 P C -0.989 176.167 177.300 -0.240 0.000 1.338 581 P CA -0.595 62.276 63.100 -0.381 0.000 0.834 581 P CB 1.315 32.666 31.700 -0.581 0.000 0.967 582 V N 6.401 126.179 119.914 -0.227 0.000 2.304 582 V HA 0.188 4.308 4.120 0.000 0.000 0.262 582 V C 1.097 177.116 176.094 -0.125 0.000 1.061 582 V CA -0.674 61.550 62.300 -0.127 0.000 0.872 582 V CB 0.497 32.276 31.823 -0.073 0.000 1.077 582 V HN 0.564 nan 8.190 nan 0.000 0.480 583 I N 5.802 126.311 120.570 -0.101 0.000 2.648 583 I HA 0.124 4.294 4.170 0.000 0.000 0.284 583 I C 1.010 177.109 176.117 -0.031 0.000 1.153 583 I CA -0.077 61.184 61.300 -0.065 0.000 1.426 583 I CB 0.523 38.499 38.000 -0.040 0.000 1.381 583 I HN 0.782 nan 8.210 nan 0.000 0.571 584 M N 6.022 125.615 119.600 -0.011 0.000 2.576 584 M HA -0.332 4.148 4.480 0.000 0.000 0.200 584 M C 0.596 176.898 176.300 0.005 0.000 0.487 584 M CA 1.080 56.384 55.300 0.007 0.000 0.553 584 M CB -2.153 30.453 32.600 0.009 0.000 2.042 584 M HN 0.885 nan 8.290 nan 0.000 0.758 585 N N -0.787 117.911 118.700 -0.003 0.000 2.644 585 N HA -0.261 4.479 4.740 0.000 0.000 0.248 585 N C -0.387 175.124 175.510 0.002 0.000 1.150 585 N CA 1.514 54.566 53.050 0.004 0.000 0.727 585 N CB -0.646 37.856 38.487 0.025 0.000 1.091 585 N HN 0.815 nan 8.380 nan 0.000 0.556 586 K N -0.340 120.055 120.400 -0.008 0.000 2.397 586 K HA 0.613 4.933 4.320 0.000 0.000 0.253 586 K C -0.252 176.335 176.600 -0.022 0.000 0.932 586 K CA -0.986 55.295 56.287 -0.011 0.000 0.795 586 K CB 1.332 33.828 32.500 -0.006 0.000 1.159 586 K HN 0.143 nan 8.250 nan 0.000 0.424 587 c N 0.691 119.275 118.600 -0.027 0.000 2.365 587 c HA 0.744 5.314 4.570 0.000 0.000 0.349 587 c C 0.606 174.675 174.090 -0.035 0.000 1.191 587 c CA -0.838 55.469 56.329 -0.036 0.000 2.114 587 c CB 0.647 43.130 42.510 -0.044 0.000 2.367 587 c HN 0.913 nan 8.230 nan 0.000 0.530 588 S N 1.600 117.276 115.700 -0.039 0.000 2.672 588 S HA 0.445 4.915 4.470 0.000 0.000 0.276 588 S C -0.402 174.173 174.600 -0.041 0.000 1.207 588 S CA -0.604 57.574 58.200 -0.037 0.000 1.002 588 S CB 0.546 63.724 63.200 -0.037 0.000 0.998 588 S HN 0.930 nan 8.310 nan 0.000 0.542 589 Q N 0.700 120.477 119.800 -0.038 0.000 2.286 589 Q HA 0.504 4.844 4.340 0.000 0.000 0.267 589 Q C 0.528 176.502 176.000 -0.044 0.000 1.028 589 Q CA -0.295 55.484 55.803 -0.040 0.000 0.901 589 Q CB -0.154 28.564 28.738 -0.034 0.000 1.183 589 Q HN 1.453 nan 8.270 nan 0.000 0.392 590 G N 1.098 109.868 108.800 -0.050 0.000 2.705 590 G HA2 0.079 4.039 3.960 0.000 0.000 0.686 590 G HA3 0.079 4.039 3.960 0.000 0.000 0.686 590 G C -0.442 174.420 174.900 -0.064 0.000 1.285 590 G CA -0.542 44.526 45.100 -0.054 0.000 0.800 590 G HN 1.062 nan 8.290 nan 0.000 0.611 591 A N 0.756 123.532 122.820 -0.074 0.000 2.267 591 A HA 0.827 5.147 4.320 0.000 0.000 0.271 591 A C 1.205 178.736 177.584 -0.089 0.000 1.131 591 A CA 0.332 52.314 52.037 -0.091 0.000 0.818 591 A CB 0.339 19.271 19.000 -0.113 0.000 1.118 591 A HN 2.084 nan 8.150 nan 0.000 0.501 592 V N 0.039 119.890 119.914 -0.105 0.000 3.287 592 V HA 0.359 4.479 4.120 0.000 0.000 0.306 592 V C 1.336 177.377 176.094 -0.089 0.000 1.103 592 V CA -0.029 62.212 62.300 -0.098 0.000 1.159 592 V CB 0.006 31.759 31.823 -0.117 0.000 1.036 592 V HN 1.174 nan 8.190 nan 0.000 0.487 593 A N 2.149 124.925 122.820 -0.074 0.000 2.364 593 A HA 0.536 4.856 4.320 0.000 0.000 0.258 593 A C 1.024 178.571 177.584 -0.062 0.000 1.131 593 A CA 0.280 52.281 52.037 -0.060 0.000 0.800 593 A CB -0.595 18.376 19.000 -0.048 0.000 1.086 593 A HN 1.328 nan 8.150 nan 0.000 0.508 594 G N -1.800 106.972 108.800 -0.047 0.000 2.664 594 G HA2 0.430 4.390 3.960 0.000 0.000 0.242 594 G HA3 0.430 4.390 3.960 0.000 0.000 0.242 594 G C -0.083 174.798 174.900 -0.031 0.000 1.225 594 G CA 0.844 45.921 45.100 -0.038 0.000 0.849 594 G HN 1.332 nan 8.290 nan 0.000 0.581 595 E N -0.550 119.641 120.200 -0.016 0.000 6.993 595 E HA -0.125 4.225 4.350 0.000 0.000 0.276 595 E C -2.326 174.270 176.600 -0.006 0.000 1.113 595 E CA 0.128 56.529 56.400 0.001 0.000 1.400 595 E CB -0.705 28.994 29.700 -0.001 0.000 0.936 595 E HN 0.400 nan 8.360 nan 0.000 0.285 596 P HA 0.188 nan 4.420 nan 0.000 0.274 596 P C -0.510 176.792 177.300 0.004 0.000 1.237 596 P CA -0.398 62.716 63.100 0.023 0.000 0.793 596 P CB 0.559 32.354 31.700 0.158 0.000 0.977 597 R N 1.727 122.182 120.500 -0.075 0.000 2.340 597 R HA 0.132 4.472 4.340 0.000 0.000 0.300 597 R C -0.051 176.299 176.300 0.084 0.000 1.069 597 R CA -0.188 55.862 56.100 -0.082 0.000 0.984 597 R CB 0.345 30.448 30.300 -0.328 0.000 1.003 597 R HN 0.503 nan 8.270 nan 0.000 0.459 598 Q N 3.866 123.741 119.800 0.124 0.000 2.293 598 Q HA 0.206 4.546 4.340 0.000 0.000 0.251 598 Q C -0.182 175.959 176.000 0.236 0.000 0.930 598 Q CA -0.321 55.581 55.803 0.165 0.000 0.893 598 Q CB 1.498 30.293 28.738 0.094 0.000 1.215 598 Q HN 0.537 nan 8.270 nan 0.000 0.425 599 I N 5.108 125.799 120.570 0.202 0.000 2.494 599 I HA 0.068 4.238 4.170 0.000 0.000 0.289 599 I C -1.673 174.480 176.117 0.060 0.000 1.106 599 I CA -1.571 59.795 61.300 0.110 0.000 1.369 599 I CB -0.069 37.946 38.000 0.026 0.000 1.410 599 I HN 0.334 nan 8.210 nan 0.000 0.523 600 P HA 0.141 nan 4.420 nan 0.000 0.271 600 P C -1.045 176.252 177.300 -0.004 0.000 1.216 600 P CA -0.407 62.710 63.100 0.029 0.000 0.776 600 P CB 0.760 32.484 31.700 0.040 0.000 0.881 601 K N 3.042 123.431 120.400 -0.019 0.000 2.172 601 K HA 0.561 4.881 4.320 0.000 0.000 0.276 601 K C 0.027 176.584 176.600 -0.072 0.000 1.013 601 K CA -0.611 55.653 56.287 -0.040 0.000 0.913 601 K CB 1.114 33.591 32.500 -0.039 0.000 1.055 601 K HN 0.461 nan 8.250 nan 0.000 0.461 602 I N 2.039 122.549 120.570 -0.099 0.000 2.545 602 I HA 0.147 4.317 4.170 0.000 0.000 0.292 602 I C 0.300 176.285 176.117 -0.219 0.000 1.040 602 I CA -0.492 60.705 61.300 -0.171 0.000 1.068 602 I CB 2.118 39.993 38.000 -0.207 0.000 1.251 602 I HN 0.617 nan 8.210 nan 0.000 0.424 603 Q N 2.615 122.267 119.800 -0.246 0.000 2.103 603 Q HA 0.202 4.542 4.340 0.000 0.000 0.219 603 Q C 0.949 176.808 176.000 -0.234 0.000 0.784 603 Q CA -0.242 55.412 55.803 -0.249 0.000 1.014 603 Q CB 0.772 29.388 28.738 -0.204 0.000 1.183 603 Q HN 0.582 nan 8.270 nan 0.000 0.469 604 N N 0.943 119.446 118.700 -0.328 0.000 2.022 604 N HA -0.075 4.665 4.740 0.000 0.000 0.194 604 N C 0.212 175.609 175.510 -0.189 0.000 1.057 604 N CA 1.034 53.894 53.050 -0.317 0.000 0.849 604 N CB -0.171 38.031 38.487 -0.476 0.000 1.044 604 N HN 0.075 nan 8.380 nan 0.000 0.424 605 F N 1.520 121.479 119.950 0.016 0.000 2.637 605 F HA -0.058 4.469 4.527 0.000 0.000 0.372 605 F C 1.450 177.252 175.800 0.003 0.000 1.107 605 F CA -0.207 57.822 58.000 0.048 0.000 1.325 605 F CB -0.612 38.497 39.000 0.182 0.000 1.016 605 F HN -0.031 nan 8.300 nan 0.000 0.593 606 T N 0.988 115.663 114.554 0.203 0.000 2.943 606 T HA 0.482 4.832 4.350 0.000 0.000 0.284 606 T C 1.176 175.930 174.700 0.091 0.000 1.015 606 T CA -1.064 61.094 62.100 0.097 0.000 1.042 606 T CB 1.730 70.633 68.868 0.058 0.000 1.055 606 T HN 0.543 nan 8.240 nan 0.000 0.500 607 R N 0.870 121.408 120.500 0.064 0.000 2.109 607 R HA -0.030 4.310 4.340 0.000 0.000 0.227 607 R C 0.742 177.068 176.300 0.043 0.000 1.132 607 R CA 1.226 57.364 56.100 0.064 0.000 0.907 607 R CB -1.388 28.949 30.300 0.061 0.000 0.825 607 R HN 0.671 nan 8.270 nan 0.000 0.432 608 T N 2.688 117.257 114.554 0.026 0.000 2.871 608 T HA 0.019 4.369 4.350 0.000 0.000 0.296 608 T C 0.126 174.815 174.700 -0.018 0.000 0.998 608 T CA 0.393 62.496 62.100 0.004 0.000 1.162 608 T CB 0.618 69.487 68.868 0.002 0.000 0.947 608 T HN 0.096 nan 8.240 nan 0.000 0.536 609 Q N 2.006 121.779 119.800 -0.045 0.000 2.323 609 Q HA 0.311 4.651 4.340 0.000 0.000 0.271 609 Q C 0.659 176.606 176.000 -0.089 0.000 1.048 609 Q CA -0.661 55.089 55.803 -0.089 0.000 0.792 609 Q CB 2.499 31.141 28.738 -0.161 0.000 1.280 609 Q HN 0.661 nan 8.270 nan 0.000 0.441 610 K N 1.125 121.474 120.400 -0.086 0.000 1.975 610 K HA -0.009 4.311 4.320 0.000 0.000 0.210 610 K C 0.816 177.358 176.600 -0.097 0.000 1.041 610 K CA 1.228 57.469 56.287 -0.076 0.000 0.942 610 K CB 0.119 32.582 32.500 -0.061 0.000 0.729 610 K HN 0.694 nan 8.250 nan 0.000 0.439 611 S N -0.588 115.041 115.700 -0.118 0.000 2.694 611 S HA 0.116 4.586 4.470 0.000 0.000 0.278 611 S C 0.056 174.539 174.600 -0.194 0.000 1.152 611 S CA -0.998 57.121 58.200 -0.136 0.000 1.010 611 S CB 1.359 64.485 63.200 -0.122 0.000 1.104 611 S HN 0.383 nan 8.310 nan 0.000 0.547 612 C N 2.049 121.228 119.300 -0.201 0.000 2.262 612 C HA 0.440 4.900 4.460 0.000 0.000 0.413 612 C C 1.624 176.404 174.990 -0.350 0.000 1.019 612 C CA -0.862 58.002 59.018 -0.256 0.000 1.320 612 C CB -2.901 24.713 27.740 -0.210 0.000 1.657 612 C HN 0.761 nan 8.230 nan 0.000 0.510 613 I N 2.788 123.058 120.570 -0.500 0.000 2.094 613 I HA -0.066 4.104 4.170 0.000 0.000 0.234 613 I C 0.748 176.487 176.117 -0.629 0.000 1.063 613 I CA 1.497 62.421 61.300 -0.626 0.000 1.328 613 I CB -0.454 36.925 38.000 -1.035 0.000 1.058 613 I HN 0.418 nan 8.210 nan 0.000 0.400 614 F N 0.828 120.586 119.950 -0.320 0.000 2.659 614 F HA 0.168 4.695 4.527 0.000 0.000 0.360 614 F C 1.142 176.677 175.800 -0.441 0.000 1.218 614 F CA -0.726 57.073 58.000 -0.334 0.000 1.317 614 F CB -1.053 37.957 39.000 0.016 0.000 1.697 614 F HN 0.107 nan 8.300 nan 0.000 0.637 615 C N 0.694 119.649 119.300 -0.575 0.000 3.529 615 C HA 0.185 4.645 4.460 0.000 0.000 0.288 615 C C 2.822 177.610 174.990 -0.337 0.000 1.353 615 C CA 1.205 59.987 59.018 -0.393 0.000 1.705 615 C CB -0.777 26.757 27.740 -0.342 0.000 2.156 615 C HN 0.828 nan 8.230 nan 0.000 0.555 616 G N 0.159 108.781 108.800 -0.297 0.000 2.990 616 G HA2 0.134 4.094 3.960 0.000 0.000 0.206 616 G HA3 0.134 4.094 3.960 0.000 0.000 0.206 616 G C 0.300 175.486 174.900 0.476 0.000 1.169 616 G CA 0.239 45.388 45.100 0.081 0.000 0.819 616 G HN 0.297 nan 8.290 nan 0.000 0.517 617 F N 0.204 120.268 119.950 0.190 0.000 2.377 617 F HA 0.803 5.330 4.527 0.000 0.000 0.335 617 F C 0.513 176.477 175.800 0.273 0.000 1.099 617 F CA -2.334 55.805 58.000 0.232 0.000 1.072 617 F CB 0.990 40.096 39.000 0.177 0.000 1.417 617 F HN 0.060 nan 8.300 nan 0.000 0.495 618 A N 0.477 123.546 122.820 0.415 0.000 2.515 618 A HA 0.753 5.073 4.320 0.000 0.000 0.298 618 A C -1.606 176.066 177.584 0.147 0.000 1.059 618 A CA -0.634 51.587 52.037 0.306 0.000 0.698 618 A CB 1.397 20.571 19.000 0.290 0.000 1.289 618 A HN 0.646 nan 8.150 nan 0.000 0.404 619 L N 1.301 122.615 121.223 0.153 0.000 2.325 619 L HA 0.673 5.013 4.340 0.000 0.000 0.278 619 L C -1.154 175.807 176.870 0.152 0.000 1.023 619 L CA -0.880 54.052 54.840 0.155 0.000 0.811 619 L CB 1.765 43.953 42.059 0.216 0.000 1.249 619 L HN 0.632 nan 8.230 nan 0.000 0.431 620 L N 3.055 124.357 121.223 0.132 0.000 2.446 620 L HA 0.408 4.748 4.340 0.000 0.000 0.268 620 L C -0.316 176.611 176.870 0.096 0.000 0.975 620 L CA -0.050 54.851 54.840 0.103 0.000 0.848 620 L CB 1.845 43.936 42.059 0.053 0.000 1.225 620 L HN 0.608 nan 8.230 nan 0.000 0.410 621 S N 3.620 119.324 115.700 0.007 0.000 2.489 621 S HA 0.796 5.266 4.470 0.000 0.000 0.291 621 S C -0.763 173.762 174.600 -0.125 0.000 1.151 621 S CA -0.524 57.535 58.200 -0.234 0.000 1.082 621 S CB 1.209 64.093 63.200 -0.527 0.000 1.019 621 S HN 0.551 nan 8.310 nan 0.000 0.492 622 Y N -0.618 119.565 120.300 -0.195 0.000 2.512 622 Y HA 0.745 5.295 4.550 0.000 0.000 0.348 622 Y C -0.862 174.946 175.900 -0.153 0.000 0.990 622 Y CA -1.369 56.654 58.100 -0.128 0.000 1.033 622 Y CB 0.814 39.244 38.460 -0.051 0.000 1.259 622 Y HN 0.626 nan 8.280 nan 0.000 0.461 623 D N 1.898 122.292 120.400 -0.011 0.000 2.210 623 D HA 0.170 4.810 4.640 0.000 0.000 0.249 623 D C 0.767 177.097 176.300 0.050 0.000 1.062 623 D CA -0.189 53.745 54.000 -0.111 0.000 0.891 623 D CB 1.471 42.189 40.800 -0.137 0.000 1.186 623 D HN 0.824 nan 8.370 nan 0.000 0.432 624 E N 1.719 121.891 120.200 -0.047 0.000 2.058 624 E HA -0.210 4.140 4.350 0.000 0.000 0.194 624 E C 1.255 177.778 176.600 -0.127 0.000 0.997 624 E CA 1.321 57.736 56.400 0.025 0.000 0.801 624 E CB 0.285 29.934 29.700 -0.085 0.000 0.746 624 E HN 0.422 nan 8.360 nan 0.000 0.450 625 K N 0.179 120.381 120.400 -0.330 0.000 2.005 625 K HA -0.032 4.288 4.320 0.000 0.000 0.206 625 K C 1.014 177.564 176.600 -0.082 0.000 1.044 625 K CA 0.712 56.830 56.287 -0.281 0.000 0.942 625 K CB 0.021 32.286 32.500 -0.391 0.000 0.727 625 K HN -0.048 nan 8.250 nan 0.000 0.439 626 E N -0.376 119.767 120.200 -0.094 0.000 2.622 626 E HA 0.160 4.510 4.350 0.000 0.000 0.255 626 E C 0.631 177.232 176.600 0.002 0.000 1.313 626 E CA -0.018 56.356 56.400 -0.043 0.000 1.011 626 E CB 0.321 29.982 29.700 -0.065 0.000 1.173 626 E HN 0.240 nan 8.360 nan 0.000 0.601 627 G N -0.329 108.474 108.800 0.005 0.000 2.711 627 G HA2 0.163 4.123 3.960 0.000 0.000 0.186 627 G HA3 0.163 4.123 3.960 0.000 0.000 0.186 627 G C -0.469 174.457 174.900 0.043 0.000 1.635 627 G CA -0.504 44.608 45.100 0.021 0.000 1.065 627 G HN 0.309 nan 8.290 nan 0.000 0.545 628 L N 0.745 121.991 121.223 0.037 0.000 2.305 628 L HA 0.267 4.607 4.340 0.000 0.000 0.281 628 L C 1.211 178.087 176.870 0.011 0.000 1.085 628 L CA -0.674 54.198 54.840 0.053 0.000 0.813 628 L CB 1.397 43.483 42.059 0.045 0.000 1.157 628 L HN 0.476 nan 8.230 nan 0.000 0.436 629 E N 1.854 122.046 120.200 -0.014 0.000 2.025 629 E HA 0.039 4.389 4.350 0.000 0.000 0.198 629 E C 0.554 177.127 176.600 -0.045 0.000 0.955 629 E CA 0.974 57.336 56.400 -0.064 0.000 0.862 629 E CB 0.133 29.750 29.700 -0.138 0.000 0.837 629 E HN 0.730 nan 8.360 nan 0.000 0.488 630 T N -1.783 112.746 114.554 -0.041 0.000 2.906 630 T HA 0.529 4.879 4.350 0.000 0.000 0.295 630 T C -0.336 174.409 174.700 0.074 0.000 1.061 630 T CA -0.771 61.340 62.100 0.018 0.000 1.000 630 T CB 2.305 71.199 68.868 0.044 0.000 1.103 630 T HN 0.024 nan 8.240 nan 0.000 0.486 631 T N 1.016 115.626 114.554 0.093 0.000 2.893 631 T HA 0.714 5.064 4.350 0.000 0.000 0.291 631 T C -1.143 173.645 174.700 0.147 0.000 1.028 631 T CA -0.323 61.846 62.100 0.115 0.000 0.995 631 T CB 1.501 70.410 68.868 0.068 0.000 1.051 631 T HN 0.899 nan 8.240 nan 0.000 0.470 632 T N 3.590 118.249 114.554 0.175 0.000 2.916 632 T HA 0.396 4.746 4.350 0.000 0.000 0.298 632 T C -1.797 173.071 174.700 0.279 0.000 1.031 632 T CA -0.473 61.746 62.100 0.198 0.000 0.993 632 T CB 1.085 69.977 68.868 0.040 0.000 1.045 632 T HN 0.601 nan 8.240 nan 0.000 0.454 633 Y N 3.476 123.910 120.300 0.224 0.000 2.402 633 Y HA 0.534 5.084 4.550 0.000 0.000 0.332 633 Y C -0.132 175.892 175.900 0.207 0.000 0.960 633 Y CA -1.188 57.041 58.100 0.216 0.000 1.228 633 Y CB 0.388 38.977 38.460 0.216 0.000 1.120 633 Y HN 0.598 nan 8.280 nan 0.000 0.491 634 I N 7.393 127.858 120.570 -0.175 0.000 2.455 634 I HA -0.060 4.110 4.170 0.000 0.000 0.303 634 I C 1.457 177.283 176.117 -0.485 0.000 1.180 634 I CA 0.276 61.416 61.300 -0.267 0.000 1.469 634 I CB 0.141 38.062 38.000 -0.132 0.000 1.480 634 I HN 0.795 nan 8.210 nan 0.000 0.669 635 T N 1.640 115.926 114.554 -0.446 0.000 2.622 635 T HA -0.128 4.222 4.350 0.000 0.000 0.266 635 T C 0.937 175.482 174.700 -0.259 0.000 1.047 635 T CA 1.311 63.194 62.100 -0.363 0.000 1.159 635 T CB -0.131 68.635 68.868 -0.171 0.000 0.863 635 T HN 0.617 nan 8.240 nan 0.000 0.422 636 S N -0.625 114.943 115.700 -0.220 0.000 2.806 636 S HA 0.540 5.010 4.470 0.000 0.000 0.306 636 S C 0.756 175.258 174.600 -0.163 0.000 1.167 636 S CA -0.441 57.660 58.200 -0.166 0.000 0.847 636 S CB 1.830 64.959 63.200 -0.118 0.000 1.216 636 S HN 0.227 nan 8.310 nan 0.000 0.532 637 Q N 1.475 121.194 119.800 -0.135 0.000 2.014 637 Q HA -0.234 4.106 4.340 0.000 0.000 0.207 637 Q C 1.935 177.865 176.000 -0.117 0.000 0.993 637 Q CA 2.936 58.664 55.803 -0.125 0.000 0.850 637 Q CB -0.896 27.779 28.738 -0.105 0.000 0.916 637 Q HN 0.904 nan 8.270 nan 0.000 0.417 638 E N -1.036 119.099 120.200 -0.109 0.000 2.114 638 E HA -0.239 4.111 4.350 0.000 0.000 0.199 638 E C 1.826 178.351 176.600 -0.125 0.000 1.008 638 E CA 1.935 58.272 56.400 -0.105 0.000 0.810 638 E CB -0.606 29.035 29.700 -0.100 0.000 0.739 638 E HN 0.289 nan 8.360 nan 0.000 0.456 639 V N 1.368 121.184 119.914 -0.164 0.000 2.307 639 V HA -0.300 3.820 4.120 0.000 0.000 0.245 639 V C 2.757 178.761 176.094 -0.149 0.000 1.045 639 V CA 2.220 64.400 62.300 -0.201 0.000 1.024 639 V CB -0.942 30.704 31.823 -0.294 0.000 0.651 639 V HN 0.335 nan 8.190 nan 0.000 0.449 640 Q N 0.314 120.040 119.800 -0.122 0.000 2.135 640 Q HA -0.244 4.096 4.340 0.000 0.000 0.204 640 Q C 2.144 178.126 176.000 -0.031 0.000 0.981 640 Q CA 1.998 57.766 55.803 -0.059 0.000 0.856 640 Q CB -0.136 28.557 28.738 -0.074 0.000 0.902 640 Q HN 0.695 nan 8.270 nan 0.000 0.425 641 N N 0.252 118.919 118.700 -0.055 0.000 2.142 641 N HA -0.108 4.632 4.740 0.000 0.000 0.186 641 N C 1.654 177.151 175.510 -0.023 0.000 1.023 641 N CA 1.511 54.541 53.050 -0.034 0.000 0.852 641 N CB -0.198 38.260 38.487 -0.048 0.000 0.998 641 N HN 0.303 nan 8.380 nan 0.000 0.424 642 S N -0.007 115.662 115.700 -0.053 0.000 2.803 642 S HA 0.143 4.613 4.470 0.000 0.000 0.226 642 S C 1.511 176.085 174.600 -0.043 0.000 0.962 642 S CA 0.197 58.367 58.200 -0.049 0.000 0.968 642 S CB -0.389 62.763 63.200 -0.081 0.000 0.786 642 S HN 0.259 nan 8.310 nan 0.000 0.527 643 I N -0.864 119.691 120.570 -0.024 0.000 4.228 643 I HA 0.184 4.354 4.170 0.000 0.000 0.298 643 I C 1.596 177.811 176.117 0.163 0.000 1.206 643 I CA 0.133 61.417 61.300 -0.027 0.000 1.322 643 I CB 0.082 37.981 38.000 -0.168 0.000 1.411 643 I HN 0.202 nan 8.210 nan 0.000 0.454 644 L N 0.845 122.180 121.223 0.186 0.000 2.313 644 L HA -0.019 4.321 4.340 0.000 0.000 0.214 644 L C 2.574 179.535 176.870 0.152 0.000 1.119 644 L CA 1.156 56.140 54.840 0.241 0.000 0.809 644 L CB -0.465 41.699 42.059 0.176 0.000 0.933 644 L HN 0.308 nan 8.230 nan 0.000 0.449 645 S N -0.878 114.878 115.700 0.094 0.000 2.387 645 S HA -0.012 4.458 4.470 0.000 0.000 0.221 645 S C 1.362 176.001 174.600 0.064 0.000 1.041 645 S CA 0.223 58.459 58.200 0.061 0.000 0.959 645 S CB -0.463 62.754 63.200 0.029 0.000 0.843 645 S HN 0.429 nan 8.310 nan 0.000 0.488 646 S N 2.323 118.064 115.700 0.068 0.000 2.617 646 S HA 0.262 4.732 4.470 0.000 0.000 0.255 646 S C 0.283 174.932 174.600 0.081 0.000 1.318 646 S CA -0.622 57.616 58.200 0.063 0.000 0.978 646 S CB -0.190 63.047 63.200 0.061 0.000 0.961 646 S HN 0.418 nan 8.310 nan 0.000 0.582 647 N N 0.369 119.099 118.700 0.050 0.000 2.597 647 N HA 0.089 4.829 4.740 0.000 0.000 0.269 647 N C 0.204 175.703 175.510 -0.018 0.000 1.204 647 N CA -0.007 53.049 53.050 0.011 0.000 0.947 647 N CB -0.382 38.094 38.487 -0.020 0.000 1.258 647 N HN 0.703 nan 8.380 nan 0.000 0.508 648 Y N 0.545 120.770 120.300 -0.125 0.000 2.256 648 Y HA -0.060 4.490 4.550 0.000 0.000 0.288 648 Y C -0.025 175.590 175.900 -0.475 0.000 1.155 648 Y CA 1.146 59.085 58.100 -0.268 0.000 1.203 648 Y CB -0.015 38.234 38.460 -0.352 0.000 0.980 648 Y HN -0.090 nan 8.280 nan 0.000 0.530 649 F N 0.376 120.094 119.950 -0.387 0.000 2.399 649 F HA 0.357 4.884 4.527 0.000 0.000 0.328 649 F C -0.087 175.225 175.800 -0.813 0.000 1.084 649 F CA -0.748 56.666 58.000 -0.976 0.000 1.053 649 F CB 1.130 39.463 39.000 -1.110 0.000 1.209 649 F HN -0.189 nan 8.300 nan 0.000 0.502 650 D N 1.468 121.462 120.400 -0.677 0.000 2.934 650 D HA 0.150 4.790 4.640 0.000 0.000 0.249 650 D C -0.058 176.138 176.300 -0.173 0.000 1.293 650 D CA -0.226 53.569 54.000 -0.341 0.000 0.812 650 D CB -0.307 40.428 40.800 -0.109 0.000 1.439 650 D HN 0.176 nan 8.370 nan 0.000 0.555 651 F N 0.097 120.084 119.950 0.062 0.000 2.451 651 F HA 0.074 4.601 4.527 0.000 0.000 0.299 651 F C 1.688 177.509 175.800 0.035 0.000 1.101 651 F CA 0.310 58.353 58.000 0.072 0.000 1.436 651 F CB -0.139 38.872 39.000 0.019 0.000 1.074 651 F HN 0.196 nan 8.300 nan 0.000 0.553 652 D N 0.686 121.155 120.400 0.114 0.000 2.663 652 D HA -0.025 4.615 4.640 0.000 0.000 0.243 652 D C 0.055 176.359 176.300 0.006 0.000 1.218 652 D CA 0.373 54.407 54.000 0.056 0.000 0.846 652 D CB -0.492 40.325 40.800 0.027 0.000 1.014 652 D HN 0.170 nan 8.370 nan 0.000 0.476 653 N N 1.460 120.164 118.700 0.007 0.000 2.594 653 N HA 0.007 4.747 4.740 0.000 0.000 0.280 653 N C 0.853 176.293 175.510 -0.117 0.000 1.156 653 N CA -0.432 52.580 53.050 -0.062 0.000 0.831 653 N CB 1.016 39.471 38.487 -0.052 0.000 1.379 653 N HN -0.139 nan 8.380 nan 0.000 0.536 654 L N 2.351 123.462 121.223 -0.187 0.000 2.191 654 L HA -0.118 4.222 4.340 0.000 0.000 0.212 654 L C 1.742 178.405 176.870 -0.346 0.000 1.103 654 L CA 1.315 56.023 54.840 -0.221 0.000 0.769 654 L CB -0.882 41.045 42.059 -0.221 0.000 0.908 654 L HN 0.598 nan 8.230 nan 0.000 0.438 655 H N -0.824 118.087 119.070 -0.265 0.000 2.389 655 H HA 0.071 4.627 4.556 0.000 0.000 0.299 655 H C 0.571 175.592 175.328 -0.510 0.000 1.081 655 H CA 0.346 56.190 56.048 -0.340 0.000 1.345 655 H CB -0.026 29.583 29.762 -0.256 0.000 1.393 655 H HN 0.046 nan 8.280 nan 0.000 0.520 656 V N 2.430 122.109 119.914 -0.392 0.000 2.481 656 V HA 0.177 4.297 4.120 0.000 0.000 0.286 656 V C 0.128 175.775 176.094 -0.745 0.000 1.042 656 V CA -0.577 61.385 62.300 -0.564 0.000 0.928 656 V CB 1.889 33.449 31.823 -0.438 0.000 0.986 656 V HN 0.336 nan 8.190 nan 0.000 0.462 657 H N 2.707 121.347 119.070 -0.717 0.000 2.747 657 H HA 0.550 5.106 4.556 0.000 0.000 0.371 657 H C -1.547 173.371 175.328 -0.683 0.000 1.161 657 H CA -0.602 55.097 56.048 -0.581 0.000 1.167 657 H CB 1.919 31.213 29.762 -0.781 0.000 1.732 657 H HN 0.571 nan 8.280 nan 0.000 0.544 658 Y N 1.356 121.710 120.300 0.090 0.000 2.331 658 Y HA 0.284 4.835 4.550 0.000 0.000 0.334 658 Y C -0.460 175.535 175.900 0.158 0.000 0.960 658 Y CA -0.755 57.435 58.100 0.150 0.000 1.130 658 Y CB 1.262 39.951 38.460 0.382 0.000 1.164 658 Y HN 0.245 nan 8.280 nan 0.000 0.458 659 L N 3.933 125.293 121.223 0.229 0.000 2.334 659 L HA 0.576 4.916 4.340 0.000 0.000 0.272 659 L C -1.048 175.862 176.870 0.067 0.000 1.020 659 L CA -0.877 54.038 54.840 0.125 0.000 0.812 659 L CB 1.657 43.767 42.059 0.084 0.000 1.264 659 L HN 0.523 nan 8.230 nan 0.000 0.439 660 L N 3.068 124.266 121.223 -0.041 0.000 2.372 660 L HA 0.555 4.895 4.340 0.000 0.000 0.274 660 L C -1.377 175.350 176.870 -0.239 0.000 0.988 660 L CA -0.153 54.624 54.840 -0.105 0.000 0.833 660 L CB 1.197 43.177 42.059 -0.131 0.000 1.236 660 L HN 0.362 nan 8.230 nan 0.000 0.410 661 L N 4.823 125.859 121.223 -0.312 0.000 2.272 661 L HA 0.582 4.922 4.340 0.000 0.000 0.289 661 L C 0.682 177.377 176.870 -0.290 0.000 1.032 661 L CA -0.515 53.979 54.840 -0.577 0.000 0.810 661 L CB 1.399 42.731 42.059 -1.212 0.000 1.205 661 L HN 0.718 nan 8.230 nan 0.000 0.422 662 T N -2.487 111.880 114.554 -0.311 0.000 2.884 662 T HA 0.181 4.531 4.350 0.000 0.000 0.277 662 T C 1.330 176.033 174.700 0.005 0.000 0.976 662 T CA 0.015 61.673 62.100 -0.736 0.000 0.956 662 T CB 1.272 69.509 68.868 -1.052 0.000 1.113 662 T HN 0.685 nan 8.240 nan 0.000 0.554 663 T N -0.942 113.692 114.554 0.135 0.000 2.929 663 T HA -0.012 4.338 4.350 0.000 0.000 0.271 663 T C 0.668 175.477 174.700 0.182 0.000 1.085 663 T CA 0.306 62.594 62.100 0.314 0.000 1.125 663 T CB -0.652 68.457 68.868 0.402 0.000 0.874 663 T HN 0.596 nan 8.240 nan 0.000 0.494 664 N N 1.310 120.081 118.700 0.119 0.000 2.489 664 N HA 0.411 5.151 4.740 0.000 0.000 0.284 664 N C 0.948 176.542 175.510 0.139 0.000 1.158 664 N CA -0.273 52.838 53.050 0.101 0.000 0.965 664 N CB 0.954 39.494 38.487 0.089 0.000 1.195 664 N HN 0.285 nan 8.380 nan 0.000 0.506 665 G N -0.187 108.667 108.800 0.089 0.000 3.229 665 G HA2 -0.062 3.898 3.960 0.000 0.000 0.214 665 G HA3 -0.062 3.898 3.960 0.000 0.000 0.214 665 G C 0.436 175.551 174.900 0.357 0.000 1.256 665 G CA 0.208 45.374 45.100 0.110 0.000 1.042 665 G HN 0.640 nan 8.290 nan 0.000 0.497 666 T N -2.504 112.236 114.554 0.311 0.000 2.907 666 T HA 0.654 5.004 4.350 0.000 0.000 0.284 666 T C -0.529 174.202 174.700 0.052 0.000 1.004 666 T CA -0.783 61.476 62.100 0.265 0.000 1.063 666 T CB 2.571 71.525 68.868 0.143 0.000 0.992 666 T HN -0.048 nan 8.240 nan 0.000 0.483 667 V N 4.080 123.810 119.914 -0.307 0.000 2.876 667 V HA 0.750 4.870 4.120 0.000 0.000 0.312 667 V C -0.199 175.678 176.094 -0.362 0.000 1.085 667 V CA -1.028 60.956 62.300 -0.527 0.000 0.945 667 V CB 1.768 32.996 31.823 -0.991 0.000 1.017 667 V HN 1.156 nan 8.190 nan 0.000 0.428 668 M N 1.351 120.828 119.600 -0.206 0.000 2.465 668 M HA 0.692 5.172 4.480 0.000 0.000 0.284 668 M C -1.063 175.221 176.300 -0.028 0.000 1.212 668 M CA -0.621 54.628 55.300 -0.085 0.000 0.910 668 M CB 2.488 35.080 32.600 -0.013 0.000 1.725 668 M HN 0.617 nan 8.290 nan 0.000 0.477 669 E N 1.907 122.109 120.200 0.002 0.000 2.283 669 E HA 0.716 5.066 4.350 0.000 0.000 0.271 669 E C -1.631 175.003 176.600 0.056 0.000 1.031 669 E CA -0.675 55.758 56.400 0.056 0.000 0.868 669 E CB 1.585 31.304 29.700 0.031 0.000 1.094 669 E HN 0.704 nan 8.360 nan 0.000 0.401 670 I N 1.868 122.516 120.570 0.130 0.000 2.603 670 I HA 0.544 4.714 4.170 0.000 0.000 0.300 670 I C -0.367 175.679 176.117 -0.118 0.000 1.017 670 I CA -0.685 60.628 61.300 0.022 0.000 1.098 670 I CB 2.023 40.072 38.000 0.082 0.000 1.279 670 I HN 0.629 nan 8.210 nan 0.000 0.437 671 A N 4.022 126.496 122.820 -0.577 0.000 3.318 671 A HA 0.644 4.964 4.320 0.000 0.000 0.209 671 A C -0.329 176.567 177.584 -1.147 0.000 1.102 671 A CA -0.098 51.293 52.037 -1.076 0.000 1.128 671 A CB -0.058 18.740 19.000 -0.337 0.000 1.310 671 A HN 0.888 nan 8.150 nan 0.000 0.726 672 G N 0.000 107.991 108.800 -1.348 0.000 5.446 672 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 672 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 672 G CA 0.000 44.727 45.100 -0.621 0.000 0.502 672 G HN 0.000 nan 8.290 nan 0.000 0.925