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 2ogt_1_A DATA FIRST_RESID 3 DATA SEQUENCE RTVVETRYGR LRGEMNEGVF VWKGIPYAKA PVGERRFLPP EPPDAWDGVR DATA SEQUENCE EATSFGPVVM QPSXXXXXXX XXXXXXXPSE DGLYLNIWSP AADGKKRPVL DATA SEQUENCE FWIHGGAFLF GSGSSPWYDG TAFAKHGDVV VVTINYRMNV FGFLHLGDSF DATA SEQUENCE GEAYAQAGNL GILDQVAALR WVKENIAAFG GDPDNITIFG ESAGAASVGV DATA SEQUENCE LLSLPEASGL FRRAMLQSGS GSLLLRSPET AMAMTERILD KAGIRPGDRE DATA SEQUENCE RLLSIPAEEL LRAALSLGPG VMYGPVVDGR VLRRHPIEAL RYGAASGIPI DATA SEQUENCE LIGVTKDEYN LFTLTDPSWT KLGEKELLDR INREVGPVPE EAIRYYXXXX DATA SEQUENCE XXXXXXWQTW LRIMTYRVFV EGMLRTADAQ AAQGADVYMY RFDYETPVXX DATA SEQUENCE XXXXXCHALE LPFVFHNLHQ PGVANFVGNR PEREAIANEM HYAWLSFART DATA SEQUENCE GDPNGAHLPE AWPAYTNERK AAFVFSAASH VEDDPFGRER AAWQ 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.200 176.300 -0.167 0.000 0.893 3 R CA 0.000 56.028 56.100 -0.121 0.000 0.921 3 R CB 0.000 30.213 30.300 -0.145 0.000 0.687 4 T N -1.445 113.118 114.554 0.016 0.000 3.065 4 T HA 0.225 4.577 4.350 0.004 0.000 0.252 4 T C 0.827 175.693 174.700 0.276 0.000 1.099 4 T CA 0.195 62.350 62.100 0.092 0.000 1.063 4 T CB 0.338 69.250 68.868 0.074 0.000 0.948 4 T HN -0.149 nan 8.240 nan 0.000 0.506 5 V N 3.385 123.408 119.914 0.182 0.000 2.394 5 V HA 0.635 4.757 4.120 0.004 0.000 0.282 5 V C 0.018 176.172 176.094 0.099 0.000 1.031 5 V CA -1.057 61.361 62.300 0.196 0.000 0.881 5 V CB 1.186 33.082 31.823 0.122 0.000 0.982 5 V HN 0.447 nan 8.190 nan 0.000 0.451 6 V N 2.274 122.220 119.914 0.052 0.000 2.680 6 V HA 0.772 4.895 4.120 0.004 0.000 0.309 6 V C -0.449 175.540 176.094 -0.176 0.000 1.052 6 V CA -0.741 61.414 62.300 -0.241 0.000 0.908 6 V CB 2.139 33.474 31.823 -0.814 0.000 1.001 6 V HN 0.843 nan 8.190 nan 0.000 0.431 7 E N 2.632 122.716 120.200 -0.193 0.000 2.216 7 E HA 0.595 4.948 4.350 0.004 0.000 0.279 7 E C -0.064 176.441 176.600 -0.157 0.000 0.997 7 E CA -0.322 56.009 56.400 -0.114 0.000 0.817 7 E CB 1.812 31.450 29.700 -0.103 0.000 1.096 7 E HN 0.976 nan 8.360 nan 0.000 0.393 8 T N -0.639 113.865 114.554 -0.083 0.000 2.883 8 T HA 0.390 4.743 4.350 0.004 0.000 0.284 8 T C 0.912 175.459 174.700 -0.255 0.000 1.041 8 T CA -0.966 61.069 62.100 -0.109 0.000 1.007 8 T CB 1.395 70.347 68.868 0.139 0.000 1.220 8 T HN 0.223 nan 8.240 nan 0.000 0.552 9 R N -0.353 119.892 120.500 -0.424 0.000 2.193 9 R HA 0.006 4.348 4.340 0.004 0.000 0.229 9 R C 1.245 177.067 176.300 -0.797 0.000 1.110 9 R CA 1.265 56.981 56.100 -0.640 0.000 0.988 9 R CB -0.966 28.822 30.300 -0.853 0.000 0.871 9 R HN 0.769 nan 8.270 nan 0.000 0.458 10 Y N -0.669 119.447 120.300 -0.305 0.000 2.457 10 Y HA 0.347 4.901 4.550 0.006 0.000 0.263 10 Y C 1.296 176.484 175.900 -1.187 0.000 1.164 10 Y CA 0.245 57.995 58.100 -0.584 0.000 1.274 10 Y CB 0.789 38.986 38.460 -0.439 0.000 1.097 10 Y HN 0.159 nan 8.280 nan 0.000 0.523 11 G N 0.367 108.748 108.800 -0.698 0.000 2.347 11 G HA2 0.020 3.983 3.960 0.004 0.000 0.477 11 G HA3 0.020 3.983 3.960 0.004 0.000 0.477 11 G C -1.349 173.540 174.900 -0.018 0.000 1.349 11 G CA -1.405 43.285 45.100 -0.682 0.000 1.000 11 G HN 0.033 nan 8.290 nan 0.000 0.605 12 R N -0.875 119.778 120.500 0.256 0.000 2.490 12 R HA 0.680 5.023 4.340 0.004 0.000 0.278 12 R C -0.178 176.447 176.300 0.542 0.000 1.069 12 R CA -0.266 56.028 56.100 0.323 0.000 1.080 12 R CB 0.793 31.218 30.300 0.207 0.000 1.030 12 R HN 0.414 nan 8.270 nan 0.000 0.491 13 L N 1.960 123.432 121.223 0.415 0.000 2.386 13 L HA 0.511 4.854 4.340 0.004 0.000 0.271 13 L C -0.211 176.917 176.870 0.430 0.000 0.993 13 L CA -0.752 54.350 54.840 0.436 0.000 0.819 13 L CB 2.177 44.554 42.059 0.530 0.000 1.294 13 L HN 0.446 nan 8.230 nan 0.000 0.414 14 R N 1.342 122.042 120.500 0.334 0.000 2.265 14 R HA 0.624 4.967 4.340 0.004 0.000 0.328 14 R C -0.141 176.256 176.300 0.162 0.000 0.969 14 R CA -0.236 56.016 56.100 0.253 0.000 0.832 14 R CB 1.418 31.791 30.300 0.121 0.000 1.139 14 R HN 0.821 nan 8.270 nan 0.000 0.457 15 G N 2.455 111.224 108.800 -0.052 0.000 2.736 15 G HA2 0.365 4.328 3.960 0.004 0.000 0.229 15 G HA3 0.365 4.328 3.960 0.004 0.000 0.229 15 G C -0.974 173.708 174.900 -0.363 0.000 1.380 15 G CA -0.372 44.382 45.100 -0.578 0.000 1.040 15 G HN 0.586 nan 8.290 nan 0.000 0.568 16 E N -1.122 118.818 120.200 -0.433 0.000 2.393 16 E HA 0.323 4.676 4.350 0.004 0.000 0.273 16 E C -0.768 175.675 176.600 -0.263 0.000 0.918 16 E CA -0.813 55.438 56.400 -0.248 0.000 0.773 16 E CB 2.591 32.154 29.700 -0.228 0.000 1.275 16 E HN 0.353 nan 8.360 nan 0.000 0.451 17 M N 2.285 121.735 119.600 -0.250 0.000 2.211 17 M HA 0.321 4.803 4.480 0.004 0.000 0.356 17 M C -1.208 174.917 176.300 -0.291 0.000 1.216 17 M CA 0.102 55.129 55.300 -0.454 0.000 1.134 17 M CB 0.302 32.650 32.600 -0.419 0.000 1.564 17 M HN 0.546 nan 8.290 nan 0.000 0.463 18 N N 2.684 121.221 118.700 -0.272 0.000 2.542 18 N HA 0.154 4.897 4.740 0.004 0.000 0.288 18 N C -1.291 174.167 175.510 -0.088 0.000 1.115 18 N CA -0.152 52.822 53.050 -0.127 0.000 0.924 18 N CB 1.130 39.586 38.487 -0.052 0.000 1.526 18 N HN 0.822 nan 8.380 nan 0.000 0.515 19 E N 2.482 122.638 120.200 -0.072 0.000 2.440 19 E HA -0.264 4.089 4.350 0.004 0.000 0.246 19 E C 0.553 177.108 176.600 -0.076 0.000 1.165 19 E CA 0.931 57.297 56.400 -0.056 0.000 0.726 19 E CB -1.342 28.342 29.700 -0.026 0.000 1.271 19 E HN 1.095 nan 8.360 nan 0.000 0.397 20 G N -1.447 107.276 108.800 -0.129 0.000 2.162 20 G HA2 -0.350 3.613 3.960 0.004 0.000 0.260 20 G HA3 -0.350 3.613 3.960 0.004 0.000 0.260 20 G C 0.367 175.170 174.900 -0.161 0.000 0.976 20 G CA 0.810 45.829 45.100 -0.136 0.000 0.655 20 G HN 0.963 nan 8.290 nan 0.000 0.533 21 V N -3.111 116.694 119.914 -0.182 0.000 3.113 21 V HA 0.945 5.068 4.120 0.004 0.000 0.316 21 V C -0.068 175.814 176.094 -0.353 0.000 1.125 21 V CA -2.054 60.184 62.300 -0.104 0.000 1.026 21 V CB 1.792 33.689 31.823 0.124 0.000 1.080 21 V HN 0.308 nan 8.190 nan 0.000 0.444 22 F N 1.093 121.072 119.950 0.049 0.000 2.422 22 F HA 0.793 5.323 4.527 0.004 0.000 0.333 22 F C 0.128 175.763 175.800 -0.274 0.000 1.095 22 F CA -0.497 57.376 58.000 -0.211 0.000 1.038 22 F CB 1.971 40.812 39.000 -0.265 0.000 1.156 22 F HN 0.529 nan 8.300 nan 0.000 0.483 23 V N 3.923 123.561 119.914 -0.459 0.000 2.760 23 V HA 0.502 4.624 4.120 0.004 0.000 0.309 23 V C -1.811 173.900 176.094 -0.638 0.000 1.077 23 V CA -0.641 61.351 62.300 -0.513 0.000 0.910 23 V CB 1.796 33.264 31.823 -0.592 0.000 1.008 23 V HN 0.735 nan 8.190 nan 0.000 0.424 24 W N 5.783 126.953 121.300 -0.217 0.000 2.471 24 W HA 0.587 5.249 4.660 0.003 0.000 0.318 24 W C -0.421 175.936 176.519 -0.271 0.000 1.034 24 W CA -0.874 56.397 57.345 -0.124 0.000 1.224 24 W CB 2.260 31.773 29.460 0.089 0.000 1.335 24 W HN 0.440 nan 8.180 nan 0.000 0.452 25 K N 0.680 121.018 120.400 -0.104 0.000 2.259 25 K HA 0.563 4.886 4.320 0.004 0.000 0.249 25 K C 0.490 177.046 176.600 -0.074 0.000 0.942 25 K CA -0.815 55.353 56.287 -0.197 0.000 0.816 25 K CB 2.025 34.170 32.500 -0.593 0.000 1.155 25 K HN 0.631 nan 8.250 nan 0.000 0.428 26 G N 2.234 111.045 108.800 0.019 0.000 2.298 26 G HA2 -0.250 3.713 3.960 0.004 0.000 0.287 26 G HA3 -0.250 3.713 3.960 0.004 0.000 0.287 26 G C -0.169 174.794 174.900 0.105 0.000 1.075 26 G CA -0.255 44.827 45.100 -0.031 0.000 0.960 26 G HN 0.502 nan 8.290 nan 0.000 0.502 27 I N 1.836 122.479 120.570 0.123 0.000 2.371 27 I HA 0.265 4.437 4.170 0.004 0.000 0.290 27 I C -1.537 174.604 176.117 0.039 0.000 1.028 27 I CA -2.322 59.012 61.300 0.058 0.000 1.345 27 I CB 1.290 39.221 38.000 -0.114 0.000 1.407 27 I HN -0.021 nan 8.210 nan 0.000 0.501 28 P HA 0.040 nan 4.420 nan 0.000 0.282 28 P C -0.593 176.502 177.300 -0.342 0.000 1.262 28 P CA 0.065 62.987 63.100 -0.297 0.000 0.773 28 P CB 0.266 31.849 31.700 -0.195 0.000 0.879 29 Y N 2.130 122.165 120.300 -0.441 0.000 2.467 29 Y HA 0.704 5.258 4.550 0.006 0.000 0.250 29 Y C 0.177 175.973 175.900 -0.173 0.000 1.155 29 Y CA -0.678 57.159 58.100 -0.438 0.000 1.249 29 Y CB 0.305 38.508 38.460 -0.427 0.000 1.146 29 Y HN 0.413 nan 8.280 nan 0.000 0.524 30 A N 0.618 123.170 122.820 -0.447 0.000 2.606 30 A HA 0.503 4.825 4.320 0.004 0.000 0.293 30 A C -1.396 176.005 177.584 -0.305 0.000 1.082 30 A CA -1.282 50.581 52.037 -0.291 0.000 0.685 30 A CB 1.077 19.909 19.000 -0.281 0.000 1.284 30 A HN 0.175 nan 8.150 nan 0.000 0.408 31 K N 1.009 121.303 120.400 -0.175 0.000 2.401 31 K HA 0.473 4.795 4.320 0.004 0.000 0.278 31 K C 0.465 176.955 176.600 -0.183 0.000 1.018 31 K CA 0.429 56.631 56.287 -0.142 0.000 0.981 31 K CB 0.598 33.057 32.500 -0.069 0.000 0.933 31 K HN 1.092 nan 8.250 nan 0.000 0.477 32 A N 6.033 128.747 122.820 -0.176 0.000 2.548 32 A HA 0.138 4.461 4.320 0.004 0.000 0.247 32 A C -1.972 175.530 177.584 -0.136 0.000 1.067 32 A CA -0.922 51.005 52.037 -0.183 0.000 0.757 32 A CB -0.246 18.675 19.000 -0.131 0.000 0.996 32 A HN 0.619 nan 8.150 nan 0.000 0.504 33 P HA 0.226 nan 4.420 nan 0.000 0.220 33 P C -0.367 176.869 177.300 -0.107 0.000 1.806 33 P CA 0.105 63.139 63.100 -0.110 0.000 0.976 33 P CB -0.504 31.125 31.700 -0.117 0.000 1.952 34 V N -2.443 117.420 119.914 -0.084 0.000 3.019 34 V HA 0.906 5.028 4.120 0.004 0.000 0.317 34 V C 0.965 177.038 176.094 -0.035 0.000 1.094 34 V CA 0.014 62.271 62.300 -0.071 0.000 1.000 34 V CB 0.870 32.651 31.823 -0.070 0.000 1.060 34 V HN 0.555 nan 8.190 nan 0.000 0.443 35 G N 2.138 110.925 108.800 -0.021 0.000 2.622 35 G HA2 -0.335 3.628 3.960 0.004 0.000 0.307 35 G HA3 -0.335 3.628 3.960 0.004 0.000 0.307 35 G C 0.649 175.564 174.900 0.026 0.000 1.226 35 G CA 0.868 45.971 45.100 0.004 0.000 0.997 35 G HN 1.412 nan 8.290 nan 0.000 0.551 36 E N 0.960 121.181 120.200 0.036 0.000 2.472 36 E HA 0.034 4.387 4.350 0.004 0.000 0.200 36 E C 2.143 178.785 176.600 0.070 0.000 1.046 36 E CA 0.914 57.352 56.400 0.064 0.000 0.871 36 E CB -0.014 29.718 29.700 0.055 0.000 0.806 36 E HN 0.559 nan 8.360 nan 0.000 0.533 37 R N 1.047 121.568 120.500 0.036 0.000 2.334 37 R HA 0.136 4.479 4.340 0.004 0.000 0.216 37 R C 0.832 177.145 176.300 0.021 0.000 0.905 37 R CA -0.343 55.772 56.100 0.025 0.000 1.064 37 R CB 0.170 30.464 30.300 -0.010 0.000 1.046 37 R HN 0.012 nan 8.270 nan 0.000 0.508 38 R N 0.841 121.346 120.500 0.008 0.000 2.570 38 R HA -0.107 4.236 4.340 0.004 0.000 0.277 38 R C -0.439 175.880 176.300 0.032 0.000 1.039 38 R CA 0.562 56.599 56.100 -0.106 0.000 1.065 38 R CB 0.102 30.301 30.300 -0.169 0.000 0.964 38 R HN 0.184 nan 8.270 nan 0.000 0.428 39 F N 1.030 121.036 119.950 0.094 0.000 3.006 39 F HA -0.302 4.227 4.527 0.003 0.000 0.289 39 F C -0.349 175.551 175.800 0.167 0.000 0.772 39 F CA 0.160 58.227 58.000 0.111 0.000 1.162 39 F CB -1.177 37.860 39.000 0.061 0.000 1.382 39 F HN 0.403 nan 8.300 nan 0.000 0.406 40 L N 0.108 121.450 121.223 0.198 0.000 2.330 40 L HA 0.569 4.911 4.340 0.004 0.000 0.271 40 L C -1.941 174.956 176.870 0.045 0.000 1.013 40 L CA -2.152 52.742 54.840 0.091 0.000 0.816 40 L CB 1.197 43.278 42.059 0.037 0.000 1.287 40 L HN -0.384 nan 8.230 nan 0.000 0.435 41 P HA 0.061 nan 4.420 nan 0.000 0.269 41 P C -2.502 174.808 177.300 0.015 0.000 1.217 41 P CA -0.765 62.347 63.100 0.021 0.000 0.783 41 P CB -0.364 31.346 31.700 0.017 0.000 0.898 42 P HA 0.119 nan 4.420 nan 0.000 0.271 42 P C -0.470 176.846 177.300 0.027 0.000 1.216 42 P CA 0.339 63.449 63.100 0.016 0.000 0.776 42 P CB 0.830 32.567 31.700 0.061 0.000 0.881 43 E N 2.901 123.104 120.200 0.005 0.000 2.235 43 E HA 0.429 4.781 4.350 0.004 0.000 0.265 43 E C -2.287 174.328 176.600 0.025 0.000 0.940 43 E CA -2.302 54.111 56.400 0.021 0.000 0.819 43 E CB 0.557 30.264 29.700 0.011 0.000 1.206 43 E HN 0.315 nan 8.360 nan 0.000 0.409 44 P HA 0.053 nan 4.420 nan 0.000 0.266 44 P C -2.351 174.939 177.300 -0.015 0.000 1.193 44 P CA -0.763 62.378 63.100 0.068 0.000 0.770 44 P CB -0.475 31.315 31.700 0.150 0.000 0.836 45 P HA 0.104 nan 4.420 nan 0.000 0.274 45 P C -0.464 176.802 177.300 -0.056 0.000 1.231 45 P CA 0.022 63.024 63.100 -0.162 0.000 0.790 45 P CB 0.631 32.159 31.700 -0.287 0.000 0.951 46 D N 0.014 120.452 120.400 0.063 0.000 2.382 46 D HA 0.304 4.946 4.640 0.004 0.000 0.245 46 D C 0.459 176.924 176.300 0.274 0.000 1.120 46 D CA 0.254 54.346 54.000 0.154 0.000 0.890 46 D CB 0.782 41.668 40.800 0.144 0.000 1.201 46 D HN 0.347 nan 8.370 nan 0.000 0.433 47 A N 2.205 125.165 122.820 0.233 0.000 2.313 47 A HA 0.543 4.866 4.320 0.004 0.000 0.261 47 A C -0.668 177.034 177.584 0.196 0.000 1.090 47 A CA -0.399 51.698 52.037 0.099 0.000 0.807 47 A CB 0.257 19.259 19.000 0.004 0.000 1.055 47 A HN 0.628 nan 8.150 nan 0.000 0.492 48 W N -0.271 121.113 121.300 0.139 0.000 2.975 48 W HA 0.698 5.361 4.660 0.005 0.000 0.342 48 W C -1.148 175.418 176.519 0.080 0.000 1.168 48 W CA -0.907 56.495 57.345 0.096 0.000 1.141 48 W CB 0.822 30.339 29.460 0.096 0.000 1.445 48 W HN 0.511 nan 8.180 nan 0.000 0.560 49 D N 0.353 120.917 120.400 0.273 0.000 2.332 49 D HA 0.516 5.159 4.640 0.004 0.000 0.252 49 D C 0.734 177.205 176.300 0.286 0.000 1.050 49 D CA 0.871 54.979 54.000 0.180 0.000 0.970 49 D CB 1.446 42.312 40.800 0.110 0.000 1.141 49 D HN 0.921 nan 8.370 nan 0.000 0.485 50 G N -0.622 108.300 108.800 0.202 0.000 2.750 50 G HA2 -0.200 3.763 3.960 0.004 0.000 0.228 50 G HA3 -0.200 3.763 3.960 0.004 0.000 0.228 50 G C -0.608 174.465 174.900 0.287 0.000 1.367 50 G CA -0.533 44.686 45.100 0.199 0.000 0.871 50 G HN 0.446 nan 8.290 nan 0.000 0.560 51 V N 1.341 121.379 119.914 0.207 0.000 2.333 51 V HA 0.515 4.637 4.120 0.004 0.000 0.274 51 V C 0.959 177.138 176.094 0.141 0.000 1.028 51 V CA -0.224 62.206 62.300 0.216 0.000 0.851 51 V CB 1.225 33.136 31.823 0.146 0.000 1.000 51 V HN 0.821 nan 8.190 nan 0.000 0.456 52 R N 4.066 124.639 120.500 0.122 0.000 2.265 52 R HA 0.239 4.582 4.340 0.004 0.000 0.314 52 R C -0.043 176.228 176.300 -0.048 0.000 1.053 52 R CA -0.585 55.422 56.100 -0.155 0.000 0.931 52 R CB 0.660 30.521 30.300 -0.732 0.000 1.024 52 R HN 0.648 nan 8.270 nan 0.000 0.457 53 E N 2.601 122.758 120.200 -0.071 0.000 2.384 53 E HA 0.061 4.413 4.350 0.004 0.000 0.266 53 E C -0.480 176.094 176.600 -0.043 0.000 1.012 53 E CA 0.268 56.644 56.400 -0.039 0.000 0.901 53 E CB 1.431 31.092 29.700 -0.065 0.000 0.967 53 E HN 0.673 nan 8.360 nan 0.000 0.435 54 A N 1.947 124.771 122.820 0.007 0.000 3.176 54 A HA 0.193 4.516 4.320 0.004 0.000 0.265 54 A C 0.623 178.153 177.584 -0.090 0.000 0.936 54 A CA -0.381 51.664 52.037 0.013 0.000 1.033 54 A CB -0.149 18.980 19.000 0.215 0.000 1.158 54 A HN 0.518 nan 8.150 nan 0.000 0.485 55 T N -3.363 111.101 114.554 -0.150 0.000 3.040 55 T HA 0.347 4.699 4.350 0.004 0.000 0.266 55 T C 0.417 174.945 174.700 -0.285 0.000 1.005 55 T CA 0.192 62.159 62.100 -0.221 0.000 0.906 55 T CB 0.140 68.906 68.868 -0.171 0.000 1.082 55 T HN 0.179 nan 8.240 nan 0.000 0.531 56 S N 0.773 116.307 115.700 -0.277 0.000 2.526 56 S HA 0.663 5.135 4.470 0.004 0.000 0.293 56 S C -0.656 173.769 174.600 -0.291 0.000 1.092 56 S CA -0.827 57.197 58.200 -0.292 0.000 0.980 56 S CB 1.024 64.116 63.200 -0.181 0.000 1.048 56 S HN 0.356 nan 8.310 nan 0.000 0.483 57 F N 1.679 121.537 119.950 -0.154 0.000 2.545 57 F HA 0.346 4.875 4.527 0.003 0.000 0.348 57 F C 1.632 177.257 175.800 -0.291 0.000 1.163 57 F CA 0.209 58.100 58.000 -0.181 0.000 1.331 57 F CB 0.429 39.352 39.000 -0.130 0.000 1.138 57 F HN 0.691 nan 8.300 nan 0.000 0.602 58 G N 1.744 110.400 108.800 -0.240 0.000 2.616 58 G HA2 0.443 4.405 3.960 0.004 0.000 0.268 58 G HA3 0.443 4.405 3.960 0.004 0.000 0.268 58 G C -2.688 172.025 174.900 -0.312 0.000 1.213 58 G CA -1.313 43.391 45.100 -0.660 0.000 0.926 58 G HN 0.319 nan 8.290 nan 0.000 0.523 59 P HA 0.205 nan 4.420 nan 0.000 0.269 59 P C 0.411 177.675 177.300 -0.059 0.000 1.215 59 P CA -0.406 62.621 63.100 -0.122 0.000 0.780 59 P CB 0.779 32.430 31.700 -0.083 0.000 0.898 60 V N 0.938 120.800 119.914 -0.088 0.000 3.083 60 V HA 0.348 4.471 4.120 0.004 0.000 0.306 60 V C 0.618 176.662 176.094 -0.085 0.000 1.077 60 V CA -0.738 61.510 62.300 -0.087 0.000 1.073 60 V CB 0.627 32.370 31.823 -0.134 0.000 1.081 60 V HN 0.455 nan 8.190 nan 0.000 0.474 61 V N 1.632 121.492 119.914 -0.089 0.000 3.237 61 V HA 0.306 4.429 4.120 0.004 0.000 0.305 61 V C 0.766 176.764 176.094 -0.161 0.000 1.096 61 V CA -0.924 61.297 62.300 -0.131 0.000 1.130 61 V CB 0.311 32.065 31.823 -0.114 0.000 1.048 61 V HN 0.920 nan 8.190 nan 0.000 0.484 62 M N 3.864 123.295 119.600 -0.281 0.000 2.261 62 M HA 0.242 4.725 4.480 0.004 0.000 0.350 62 M C 0.013 176.266 176.300 -0.079 0.000 1.343 62 M CA 1.130 56.264 55.300 -0.278 0.000 1.003 62 M CB -0.595 31.589 32.600 -0.693 0.000 1.848 62 M HN 1.152 nan 8.290 nan 0.000 0.456 63 Q N 3.459 123.247 119.800 -0.020 0.000 2.702 63 Q HA 0.411 4.753 4.340 0.004 0.000 0.289 63 Q C -2.785 173.241 176.000 0.043 0.000 0.923 63 Q CA -1.394 54.439 55.803 0.049 0.000 0.787 63 Q CB 0.839 29.613 28.738 0.060 0.000 1.476 63 Q HN 0.198 nan 8.270 nan 0.000 0.402 64 P HA -0.148 nan 4.420 nan 0.000 0.216 64 P C 0.088 177.381 177.300 -0.013 0.000 1.150 64 P CA 1.435 64.554 63.100 0.031 0.000 0.843 64 P CB -0.016 31.700 31.700 0.027 0.000 0.787 81 S N -0.799 114.814 115.700 -0.144 0.000 2.556 81 S HA 0.329 4.801 4.470 0.004 0.000 0.271 81 S C 0.330 174.790 174.600 -0.234 0.000 1.135 81 S CA -0.583 57.520 58.200 -0.162 0.000 0.858 81 S CB 1.545 64.685 63.200 -0.100 0.000 1.114 81 S HN 0.417 nan 8.310 nan 0.000 0.468 82 E N 0.926 120.947 120.200 -0.298 0.000 2.265 82 E HA -0.109 4.244 4.350 0.004 0.000 0.196 82 E C -0.238 176.235 176.600 -0.212 0.000 0.996 82 E CA 0.726 56.915 56.400 -0.351 0.000 0.832 82 E CB 0.050 29.544 29.700 -0.343 0.000 0.756 82 E HN 0.557 nan 8.360 nan 0.000 0.491 83 D N -0.005 120.314 120.400 -0.136 0.000 2.508 83 D HA 0.062 4.705 4.640 0.004 0.000 0.224 83 D C 0.204 176.527 176.300 0.039 0.000 1.171 83 D CA -0.064 53.893 54.000 -0.073 0.000 1.006 83 D CB 0.213 40.998 40.800 -0.025 0.000 1.073 83 D HN 0.102 nan 8.370 nan 0.000 0.513 84 G N 2.617 111.388 108.800 -0.047 0.000 4.165 84 G HA2 0.126 4.088 3.960 0.004 0.000 0.287 84 G HA3 0.126 4.088 3.960 0.004 0.000 0.287 84 G C 0.304 175.175 174.900 -0.048 0.000 1.019 84 G CA -0.299 44.861 45.100 0.101 0.000 0.806 84 G HN 0.405 nan 8.290 nan 0.000 0.447 85 L N 2.017 122.943 121.223 -0.495 0.000 2.375 85 L HA 0.461 4.804 4.340 0.004 0.000 0.276 85 L C -0.755 175.475 176.870 -1.067 0.000 1.162 85 L CA -0.405 54.002 54.840 -0.721 0.000 0.991 85 L CB -0.410 41.094 42.059 -0.926 0.000 1.315 85 L HN 0.122 nan 8.230 nan 0.000 0.431 86 Y N 2.599 122.838 120.300 -0.101 0.000 2.536 86 Y HA 0.678 5.229 4.550 0.002 0.000 0.347 86 Y C -0.103 175.908 175.900 0.184 0.000 1.000 86 Y CA -1.204 56.901 58.100 0.007 0.000 1.051 86 Y CB 2.123 40.571 38.460 -0.022 0.000 1.259 86 Y HN 0.256 nan 8.280 nan 0.000 0.468 87 L N -0.259 121.106 121.223 0.236 0.000 2.359 87 L HA 0.791 5.133 4.340 0.004 0.000 0.256 87 L C -1.712 175.193 176.870 0.059 0.000 1.026 87 L CA -1.266 53.636 54.840 0.104 0.000 0.828 87 L CB 2.125 44.151 42.059 -0.056 0.000 1.406 87 L HN 0.605 nan 8.230 nan 0.000 0.413 88 N N 0.659 119.406 118.700 0.078 0.000 2.225 88 N HA 0.827 5.570 4.740 0.004 0.000 0.298 88 N C -1.502 174.011 175.510 0.005 0.000 1.076 88 N CA -0.529 52.529 53.050 0.015 0.000 0.792 88 N CB 2.675 41.222 38.487 0.100 0.000 1.498 88 N HN 0.626 nan 8.380 nan 0.000 0.474 89 I N 0.735 121.233 120.570 -0.119 0.000 2.499 89 I HA 0.406 4.579 4.170 0.004 0.000 0.288 89 I C -0.881 175.327 176.117 0.151 0.000 1.048 89 I CA -0.615 60.745 61.300 0.099 0.000 1.062 89 I CB 1.693 39.652 38.000 -0.068 0.000 1.238 89 I HN 0.341 nan 8.210 nan 0.000 0.426 90 W N 4.332 125.851 121.300 0.366 0.000 2.573 90 W HA 0.598 5.261 4.660 0.004 0.000 0.326 90 W C -0.006 176.759 176.519 0.411 0.000 1.049 90 W CA -0.663 56.907 57.345 0.376 0.000 1.220 90 W CB 2.181 31.807 29.460 0.278 0.000 1.373 90 W HN 0.369 nan 8.180 nan 0.000 0.507 91 S N 3.097 119.205 115.700 0.681 0.000 2.536 91 S HA 0.413 4.886 4.470 0.004 0.000 0.271 91 S C -2.015 172.902 174.600 0.528 0.000 1.134 91 S CA -1.341 57.203 58.200 0.573 0.000 0.897 91 S CB 2.054 65.627 63.200 0.621 0.000 1.094 91 S HN 0.090 nan 8.310 nan 0.000 0.473 92 P HA 0.172 nan 4.420 nan 0.000 0.219 92 P C -0.090 177.502 177.300 0.486 0.000 1.146 92 P CA 1.038 64.351 63.100 0.355 0.000 0.808 92 P CB 0.129 31.975 31.700 0.244 0.000 0.779 93 A N -1.650 121.426 122.820 0.427 0.000 2.560 93 A HA 0.609 4.932 4.320 0.004 0.000 0.300 93 A C -1.027 176.662 177.584 0.174 0.000 1.062 93 A CA -0.308 51.895 52.037 0.275 0.000 0.767 93 A CB 0.334 19.450 19.000 0.194 0.000 1.288 93 A HN -0.020 nan 8.150 nan 0.000 0.396 94 A N 2.829 125.681 122.820 0.053 0.000 2.797 94 A HA 0.538 4.861 4.320 0.004 0.000 0.296 94 A C 0.095 177.646 177.584 -0.056 0.000 1.580 94 A CA 0.653 52.683 52.037 -0.012 0.000 1.277 94 A CB -0.969 17.975 19.000 -0.093 0.000 1.101 94 A HN 0.988 nan 8.150 nan 0.000 0.562 95 D N 0.263 120.657 120.400 -0.010 0.000 2.846 95 D HA 0.521 5.163 4.640 0.004 0.000 0.273 95 D C 0.578 176.870 176.300 -0.014 0.000 1.145 95 D CA 0.051 54.041 54.000 -0.017 0.000 1.091 95 D CB 0.261 41.069 40.800 0.013 0.000 1.364 95 D HN 0.098 nan 8.370 nan 0.000 0.613 96 G N -0.726 108.068 108.800 -0.009 0.000 3.949 96 G HA2 0.151 4.113 3.960 0.004 0.000 0.295 96 G HA3 0.151 4.113 3.960 0.004 0.000 0.295 96 G C 0.242 175.147 174.900 0.010 0.000 1.286 96 G CA -0.523 44.572 45.100 -0.008 0.000 1.171 96 G HN 0.216 nan 8.290 nan 0.000 0.586 97 K N 0.677 121.093 120.400 0.028 0.000 2.410 97 K HA 0.095 4.418 4.320 0.004 0.000 0.200 97 K C 0.381 177.002 176.600 0.035 0.000 1.023 97 K CA -0.260 56.047 56.287 0.033 0.000 1.149 97 K CB 0.181 32.710 32.500 0.048 0.000 0.859 97 K HN 0.286 nan 8.250 nan 0.000 0.514 98 K N 1.492 121.912 120.400 0.034 0.000 3.257 98 K HA -0.216 4.106 4.320 0.004 0.000 0.270 98 K C -0.642 175.979 176.600 0.036 0.000 0.984 98 K CA 0.554 56.859 56.287 0.030 0.000 0.739 98 K CB -1.158 31.350 32.500 0.014 0.000 1.351 98 K HN 0.254 nan 8.250 nan 0.000 0.463 99 R N 0.364 120.898 120.500 0.056 0.000 2.582 99 R HA 0.182 4.525 4.340 0.004 0.000 0.271 99 R C -2.191 174.136 176.300 0.045 0.000 1.078 99 R CA -1.884 54.251 56.100 0.057 0.000 1.127 99 R CB 0.175 30.529 30.300 0.090 0.000 1.038 99 R HN -0.028 nan 8.270 nan 0.000 0.500 100 P HA -0.032 nan 4.420 nan 0.000 0.267 100 P C -0.851 176.465 177.300 0.026 0.000 1.200 100 P CA 0.099 63.197 63.100 -0.003 0.000 0.772 100 P CB 0.531 32.202 31.700 -0.048 0.000 0.855 101 V N 4.241 124.179 119.914 0.039 0.000 2.409 101 V HA 0.243 4.365 4.120 0.004 0.000 0.291 101 V C -0.151 176.000 176.094 0.096 0.000 1.020 101 V CA -0.557 61.803 62.300 0.101 0.000 0.848 101 V CB 1.320 33.233 31.823 0.149 0.000 0.990 101 V HN 0.276 nan 8.190 nan 0.000 0.430 102 L N 5.619 126.895 121.223 0.089 0.000 2.265 102 L HA 0.480 4.823 4.340 0.004 0.000 0.289 102 L C -0.573 176.563 176.870 0.443 0.000 1.033 102 L CA 0.121 55.010 54.840 0.081 0.000 0.814 102 L CB 0.842 42.717 42.059 -0.306 0.000 1.203 102 L HN 0.602 nan 8.230 nan 0.000 0.423 103 F N 4.378 124.566 119.950 0.396 0.000 2.332 103 F HA 0.352 4.882 4.527 0.004 0.000 0.368 103 F C -0.555 175.522 175.800 0.461 0.000 1.110 103 F CA -0.601 57.623 58.000 0.373 0.000 1.087 103 F CB 0.599 39.723 39.000 0.207 0.000 1.235 103 F HN 0.497 nan 8.300 nan 0.000 0.470 104 W N 9.418 130.665 121.300 -0.088 0.000 2.390 104 W HA 0.555 5.218 4.660 0.004 0.000 0.312 104 W C -1.752 174.545 176.519 -0.370 0.000 1.123 104 W CA -0.930 56.203 57.345 -0.353 0.000 1.202 104 W CB 1.214 30.494 29.460 -0.299 0.000 1.251 104 W HN 0.335 nan 8.180 nan 0.000 0.511 105 I N 7.762 127.648 120.570 -1.140 0.000 2.354 105 I HA 0.082 4.255 4.170 0.004 0.000 0.286 105 I C 0.993 176.269 176.117 -1.400 0.000 1.007 105 I CA -0.824 59.898 61.300 -0.964 0.000 1.167 105 I CB 0.964 38.622 38.000 -0.571 0.000 1.320 105 I HN 0.408 nan 8.210 nan 0.000 0.458 106 H N 4.631 123.149 119.070 -0.919 0.000 2.671 106 H HA 0.440 4.998 4.556 0.004 0.000 0.372 106 H C 0.061 175.176 175.328 -0.354 0.000 1.227 106 H CA -0.417 55.219 56.048 -0.687 0.000 1.426 106 H CB 1.031 30.617 29.762 -0.293 0.000 1.480 106 H HN 0.613 nan 8.280 nan 0.000 0.611 107 G N -1.758 107.005 108.800 -0.063 0.000 2.606 107 G HA2 0.447 4.410 3.960 0.004 0.000 0.262 107 G HA3 0.447 4.410 3.960 0.004 0.000 0.262 107 G C 0.398 175.237 174.900 -0.101 0.000 1.394 107 G CA -0.700 44.321 45.100 -0.132 0.000 1.044 107 G HN 1.228 nan 8.290 nan 0.000 0.553 108 G N -2.810 105.790 108.800 -0.333 0.000 2.148 108 G HA2 0.344 4.307 3.960 0.004 0.000 0.120 108 G HA3 0.344 4.307 3.960 0.004 0.000 0.120 108 G C 0.763 175.138 174.900 -0.875 0.000 1.034 108 G CA 0.942 45.477 45.100 -0.941 0.000 0.710 108 G HN 2.320 nan 8.290 nan 0.000 0.495 109 A N -1.287 121.263 122.820 -0.450 0.000 2.826 109 A HA -0.059 4.264 4.320 0.004 0.000 0.274 109 A C 1.275 178.833 177.584 -0.042 0.000 1.443 109 A CA 1.390 53.309 52.037 -0.197 0.000 0.833 109 A CB -2.298 16.718 19.000 0.026 0.000 1.023 109 A HN 1.996 nan 8.150 nan 0.000 0.600 110 F N -5.317 114.578 119.950 -0.091 0.000 3.034 110 F HA -0.294 4.235 4.527 0.003 0.000 0.286 110 F C 1.147 176.960 175.800 0.021 0.000 0.804 110 F CA 1.118 59.094 58.000 -0.039 0.000 1.161 110 F CB -1.457 37.355 39.000 -0.313 0.000 1.317 110 F HN 0.541 nan 8.300 nan 0.000 0.453 111 L N -0.715 120.554 121.223 0.077 0.000 2.588 111 L HA 0.434 4.776 4.340 0.004 0.000 0.194 111 L C 0.422 177.391 176.870 0.164 0.000 1.070 111 L CA 1.078 56.000 54.840 0.137 0.000 0.852 111 L CB 0.272 42.533 42.059 0.338 0.000 1.199 111 L HN 0.068 nan 8.230 nan 0.000 0.486 112 F N -1.316 118.679 119.950 0.075 0.000 2.675 112 F HA 0.871 5.400 4.527 0.003 0.000 0.324 112 F C 0.178 175.984 175.800 0.009 0.000 1.106 112 F CA -0.544 57.467 58.000 0.019 0.000 0.970 112 F CB 0.700 39.703 39.000 0.004 0.000 1.385 112 F HN 0.221 nan 8.300 nan 0.000 0.489 113 G N 0.364 109.220 108.800 0.093 0.000 2.384 113 G HA2 0.528 4.490 3.960 0.004 0.000 0.668 113 G HA3 0.528 4.490 3.960 0.004 0.000 0.668 113 G C -1.180 173.375 174.900 -0.576 0.000 1.280 113 G CA -0.414 44.559 45.100 -0.212 0.000 0.992 113 G HN 2.381 nan 8.290 nan 0.000 0.512 114 S N -2.184 112.946 115.700 -0.949 0.000 2.597 114 S HA 0.659 5.132 4.470 0.004 0.000 0.274 114 S C 0.910 175.303 174.600 -0.346 0.000 1.132 114 S CA 0.421 58.213 58.200 -0.680 0.000 0.835 114 S CB 1.144 64.135 63.200 -0.348 0.000 1.092 114 S HN 2.412 nan 8.310 nan 0.000 0.457 115 G N 0.703 109.485 108.800 -0.030 0.000 2.598 115 G HA2 0.063 4.026 3.960 0.004 0.000 0.215 115 G HA3 0.063 4.026 3.960 0.004 0.000 0.215 115 G C 1.104 176.054 174.900 0.084 0.000 1.131 115 G CA 0.781 46.003 45.100 0.202 0.000 0.785 115 G HN 1.400 nan 8.290 nan 0.000 0.539 116 S N -0.417 115.133 115.700 -0.251 0.000 2.575 116 S HA 0.251 4.724 4.470 0.004 0.000 0.215 116 S C 1.130 175.302 174.600 -0.713 0.000 0.966 116 S CA 0.263 57.974 58.200 -0.816 0.000 0.911 116 S CB 0.072 62.526 63.200 -1.244 0.000 0.780 116 S HN 0.176 nan 8.310 nan 0.000 0.514 117 S N 3.648 119.052 115.700 -0.492 0.000 2.552 117 S HA 0.149 4.621 4.470 0.004 0.000 0.289 117 S C -0.956 173.258 174.600 -0.644 0.000 1.304 117 S CA -1.051 56.714 58.200 -0.726 0.000 1.063 117 S CB 0.719 63.280 63.200 -1.065 0.000 0.848 117 S HN 0.257 nan 8.310 nan 0.000 0.499 118 P HA -0.068 nan 4.420 nan 0.000 0.220 118 P C 1.031 178.123 177.300 -0.347 0.000 1.148 118 P CA 1.006 63.904 63.100 -0.337 0.000 0.803 118 P CB -0.157 31.390 31.700 -0.254 0.000 0.782 119 W N -0.229 120.667 121.300 -0.674 0.000 2.341 119 W HA -0.109 4.555 4.660 0.006 0.000 0.283 119 W C 1.688 177.611 176.519 -0.993 0.000 1.215 119 W CA 0.770 57.608 57.345 -0.845 0.000 1.211 119 W CB -2.198 26.653 29.460 -1.016 0.000 1.131 119 W HN 0.194 nan 8.180 nan 0.000 0.552 120 Y N -0.303 119.694 120.300 -0.505 0.000 2.555 120 Y HA 0.139 4.691 4.550 0.004 0.000 0.259 120 Y C 0.938 176.549 175.900 -0.482 0.000 1.179 120 Y CA -0.812 56.749 58.100 -0.897 0.000 1.230 120 Y CB -0.260 37.808 38.460 -0.652 0.000 1.146 120 Y HN -0.257 nan 8.280 nan 0.000 0.526 121 D N 1.543 121.770 120.400 -0.288 0.000 2.531 121 D HA -0.070 4.573 4.640 0.004 0.000 0.239 121 D C 1.099 177.008 176.300 -0.651 0.000 1.144 121 D CA 0.698 54.460 54.000 -0.396 0.000 0.869 121 D CB 1.512 42.218 40.800 -0.156 0.000 1.160 121 D HN 0.550 nan 8.370 nan 0.000 0.484 122 G N 2.850 110.609 108.800 -1.734 0.000 3.088 122 G HA2 -0.091 3.871 3.960 0.004 0.000 0.212 122 G HA3 -0.091 3.871 3.960 0.004 0.000 0.212 122 G C 1.407 175.934 174.900 -0.622 0.000 1.173 122 G CA 0.125 44.604 45.100 -1.036 0.000 0.779 122 G HN 0.513 nan 8.290 nan 0.000 0.540 123 T N 1.585 115.773 114.554 -0.610 0.000 2.652 123 T HA -0.107 4.246 4.350 0.004 0.000 0.267 123 T C 2.847 177.462 174.700 -0.141 0.000 1.039 123 T CA 1.601 63.603 62.100 -0.163 0.000 1.153 123 T CB -0.249 68.605 68.868 -0.025 0.000 0.863 123 T HN 0.355 nan 8.240 nan 0.000 0.428 124 A N 0.665 123.371 122.820 -0.191 0.000 1.877 124 A HA -0.003 4.320 4.320 0.004 0.000 0.216 124 A C 2.078 179.563 177.584 -0.165 0.000 1.186 124 A CA 1.326 53.160 52.037 -0.339 0.000 0.620 124 A CB -1.147 17.681 19.000 -0.288 0.000 0.822 124 A HN 0.517 nan 8.150 nan 0.000 0.443 125 F N 0.128 120.088 119.950 0.017 0.000 2.065 125 F HA -0.264 4.265 4.527 0.004 0.000 0.298 125 F C 2.888 178.653 175.800 -0.059 0.000 1.112 125 F CA 1.009 58.986 58.000 -0.039 0.000 1.212 125 F CB -0.179 38.754 39.000 -0.111 0.000 0.975 125 F HN 0.309 nan 8.300 nan 0.000 0.476 126 A N -0.448 122.484 122.820 0.186 0.000 1.902 126 A HA -0.210 4.113 4.320 0.004 0.000 0.217 126 A C 2.125 179.774 177.584 0.108 0.000 1.181 126 A CA 1.709 53.851 52.037 0.175 0.000 0.623 126 A CB -0.595 18.560 19.000 0.259 0.000 0.818 126 A HN 0.305 nan 8.150 nan 0.000 0.443 127 K N -1.417 118.980 120.400 -0.004 0.000 2.025 127 K HA -0.126 4.196 4.320 0.004 0.000 0.207 127 K C 1.895 178.520 176.600 0.042 0.000 1.049 127 K CA 1.420 57.679 56.287 -0.047 0.000 0.933 127 K CB -0.206 32.150 32.500 -0.240 0.000 0.714 127 K HN 0.596 nan 8.250 nan 0.000 0.438 128 H N -1.888 117.249 119.070 0.111 0.000 2.535 128 H HA 0.070 4.629 4.556 0.005 0.000 0.273 128 H C 1.687 177.093 175.328 0.130 0.000 0.983 128 H CA 1.165 57.295 56.048 0.137 0.000 1.238 128 H CB 0.349 30.179 29.762 0.115 0.000 1.412 128 H HN 0.340 nan 8.280 nan 0.000 0.562 129 G N -0.574 108.333 108.800 0.177 0.000 3.079 129 G HA2 -0.026 3.936 3.960 0.004 0.000 0.233 129 G HA3 -0.026 3.936 3.960 0.004 0.000 0.233 129 G C -0.372 174.587 174.900 0.099 0.000 1.062 129 G CA 0.181 45.348 45.100 0.112 0.000 0.809 129 G HN 0.200 nan 8.290 nan 0.000 0.535 130 D N 0.026 120.497 120.400 0.117 0.000 2.746 130 D HA -0.158 4.484 4.640 0.004 0.000 0.241 130 D C 0.169 176.527 176.300 0.098 0.000 1.140 130 D CA 1.019 55.087 54.000 0.113 0.000 0.707 130 D CB -1.393 39.469 40.800 0.102 0.000 1.034 130 D HN 0.802 nan 8.370 nan 0.000 0.423 131 V N -2.902 117.076 119.914 0.106 0.000 3.102 131 V HA 0.847 4.970 4.120 0.004 0.000 0.312 131 V C 0.249 176.438 176.094 0.159 0.000 1.135 131 V CA -0.979 61.374 62.300 0.089 0.000 1.022 131 V CB 2.397 34.222 31.823 0.003 0.000 1.056 131 V HN -0.044 nan 8.190 nan 0.000 0.436 132 V N 1.848 121.861 119.914 0.165 0.000 2.472 132 V HA 0.616 4.739 4.120 0.004 0.000 0.290 132 V C -0.112 176.130 176.094 0.246 0.000 1.037 132 V CA -0.354 62.095 62.300 0.248 0.000 0.908 132 V CB 1.493 33.461 31.823 0.241 0.000 0.985 132 V HN 0.770 nan 8.190 nan 0.000 0.454 133 V N 5.215 125.348 119.914 0.364 0.000 2.555 133 V HA 0.574 4.697 4.120 0.004 0.000 0.302 133 V C -0.364 176.039 176.094 0.515 0.000 1.038 133 V CA -0.584 61.950 62.300 0.391 0.000 0.887 133 V CB 2.066 34.118 31.823 0.382 0.000 0.991 133 V HN 0.593 nan 8.190 nan 0.000 0.434 134 V N 3.524 123.694 119.914 0.427 0.000 2.540 134 V HA 0.708 4.830 4.120 0.004 0.000 0.302 134 V C 0.078 176.333 176.094 0.268 0.000 1.035 134 V CA -0.400 62.102 62.300 0.337 0.000 0.873 134 V CB 2.260 34.232 31.823 0.247 0.000 0.992 134 V HN 1.046 nan 8.190 nan 0.000 0.428 135 T N 2.852 117.606 114.554 0.334 0.000 2.887 135 T HA 0.881 5.234 4.350 0.004 0.000 0.288 135 T C -0.628 174.143 174.700 0.117 0.000 1.021 135 T CA -0.646 61.624 62.100 0.284 0.000 1.000 135 T CB 1.972 71.141 68.868 0.501 0.000 1.034 135 T HN 0.766 nan 8.240 nan 0.000 0.467 136 I N -0.560 120.032 120.570 0.036 0.000 3.002 136 I HA 0.736 4.909 4.170 0.004 0.000 0.310 136 I C -1.227 175.020 176.117 0.216 0.000 1.087 136 I CA -1.300 60.032 61.300 0.053 0.000 1.017 136 I CB 2.302 40.206 38.000 -0.160 0.000 1.226 136 I HN 0.427 nan 8.210 nan 0.000 0.443 137 N N 2.155 121.017 118.700 0.269 0.000 2.466 137 N HA 0.600 5.343 4.740 0.004 0.000 0.294 137 N C -1.464 174.248 175.510 0.336 0.000 1.129 137 N CA -0.299 52.895 53.050 0.239 0.000 0.931 137 N CB 1.398 39.980 38.487 0.158 0.000 1.193 137 N HN 0.748 nan 8.380 nan 0.000 0.500 138 Y N -2.539 117.880 120.300 0.198 0.000 2.571 138 Y HA 0.541 5.094 4.550 0.006 0.000 0.341 138 Y C -0.210 175.765 175.900 0.124 0.000 1.076 138 Y CA -1.306 56.891 58.100 0.161 0.000 1.029 138 Y CB 0.926 39.455 38.460 0.115 0.000 1.308 138 Y HN 0.183 nan 8.280 nan 0.000 0.461 139 R N 2.470 123.086 120.500 0.194 0.000 2.623 139 R HA 0.439 4.782 4.340 0.004 0.000 0.271 139 R C -0.629 175.795 176.300 0.206 0.000 1.043 139 R CA 0.266 56.421 56.100 0.092 0.000 1.083 139 R CB 0.466 30.780 30.300 0.024 0.000 0.974 139 R HN 0.799 nan 8.270 nan 0.000 0.436 140 M N 1.479 121.200 119.600 0.200 0.000 2.775 140 M HA 0.243 4.726 4.480 0.004 0.000 0.296 140 M C 0.471 176.919 176.300 0.247 0.000 1.248 140 M CA -0.818 54.700 55.300 0.364 0.000 0.800 140 M CB 1.817 34.542 32.600 0.208 0.000 1.765 140 M HN 0.904 nan 8.290 nan 0.000 0.472 141 N N -0.565 118.180 118.700 0.075 0.000 1.129 141 N HA -0.268 4.474 4.740 0.004 0.000 0.117 141 N C 0.577 175.893 175.510 -0.324 0.000 0.722 141 N CA 1.496 54.124 53.050 -0.704 0.000 0.850 141 N CB -1.067 37.086 38.487 -0.556 0.000 1.124 141 N HN 0.502 nan 8.380 nan 0.000 0.607 142 V N 0.173 119.947 119.914 -0.233 0.000 3.141 142 V HA 0.024 4.147 4.120 0.004 0.000 0.265 142 V C 1.627 177.619 176.094 -0.169 0.000 1.126 142 V CA 1.537 63.775 62.300 -0.104 0.000 1.141 142 V CB -0.934 30.784 31.823 -0.175 0.000 0.743 142 V HN 0.487 nan 8.190 nan 0.000 0.492 143 F N 0.105 120.071 119.950 0.027 0.000 2.619 143 F HA 0.324 4.849 4.527 -0.002 0.000 0.293 143 F C 2.193 177.950 175.800 -0.072 0.000 1.119 143 F CA 0.958 58.904 58.000 -0.090 0.000 1.445 143 F CB -0.184 38.709 39.000 -0.179 0.000 1.119 143 F HN 0.237 nan 8.300 nan 0.000 0.573 144 G N -1.963 106.876 108.800 0.066 0.000 2.848 144 G HA2 0.089 4.051 3.960 0.004 0.000 0.213 144 G HA3 0.089 4.051 3.960 0.004 0.000 0.213 144 G C 0.412 174.909 174.900 -0.670 0.000 1.101 144 G CA 0.132 45.065 45.100 -0.279 0.000 0.778 144 G HN 0.280 nan 8.290 nan 0.000 0.536 145 F N 0.096 120.141 119.950 0.157 0.000 2.733 145 F HA 0.419 4.948 4.527 0.004 0.000 0.380 145 F C -0.286 175.641 175.800 0.211 0.000 1.324 145 F CA -0.731 57.364 58.000 0.158 0.000 1.178 145 F CB 1.202 40.295 39.000 0.157 0.000 1.093 145 F HN -0.090 nan 8.300 nan 0.000 0.512 146 L N 2.019 123.396 121.223 0.258 0.000 2.312 146 L HA 0.252 4.595 4.340 0.004 0.000 0.287 146 L C 0.317 177.249 176.870 0.104 0.000 1.091 146 L CA -0.079 54.860 54.840 0.165 0.000 0.846 146 L CB -0.211 41.867 42.059 0.031 0.000 1.219 146 L HN 0.207 nan 8.230 nan 0.000 0.439 147 H N 5.984 125.089 119.070 0.057 0.000 2.878 147 H HA 0.136 4.694 4.556 0.005 0.000 0.290 147 H C 0.202 175.531 175.328 0.002 0.000 1.065 147 H CA 0.089 56.157 56.048 0.034 0.000 1.477 147 H CB 0.892 30.683 29.762 0.048 0.000 1.484 147 H HN 0.785 nan 8.280 nan 0.000 0.504 148 L N 4.715 125.712 121.223 -0.376 0.000 2.616 148 L HA 0.179 4.521 4.340 0.004 0.000 0.229 148 L C 1.735 178.407 176.870 -0.330 0.000 1.110 148 L CA 0.405 55.081 54.840 -0.272 0.000 0.884 148 L CB 0.109 42.068 42.059 -0.168 0.000 1.115 148 L HN 0.993 nan 8.230 nan 0.000 0.481 149 G N 1.524 109.925 108.800 -0.665 0.000 2.596 149 G HA2 -0.385 3.578 3.960 0.004 0.000 0.295 149 G HA3 -0.385 3.578 3.960 0.004 0.000 0.295 149 G C -0.041 174.808 174.900 -0.085 0.000 1.240 149 G CA 0.647 45.551 45.100 -0.327 0.000 0.985 149 G HN 0.392 nan 8.290 nan 0.000 0.555 150 D N 0.812 121.194 120.400 -0.029 0.000 2.358 150 D HA 0.376 5.019 4.640 0.004 0.000 0.224 150 D C 2.181 178.483 176.300 0.003 0.000 1.123 150 D CA 0.879 54.885 54.000 0.011 0.000 0.833 150 D CB 0.296 41.100 40.800 0.007 0.000 0.946 150 D HN 0.346 nan 8.370 nan 0.000 0.505 151 S N -0.365 115.328 115.700 -0.012 0.000 2.481 151 S HA -0.041 4.432 4.470 0.004 0.000 0.231 151 S C 0.924 175.374 174.600 -0.250 0.000 0.996 151 S CA 0.397 58.529 58.200 -0.113 0.000 0.942 151 S CB -0.127 63.008 63.200 -0.108 0.000 0.768 151 S HN 0.260 nan 8.310 nan 0.000 0.520 152 F N 1.573 121.494 119.950 -0.048 0.000 2.698 152 F HA 0.487 5.017 4.527 0.005 0.000 0.304 152 F C 1.261 177.143 175.800 0.137 0.000 1.108 152 F CA 0.069 58.061 58.000 -0.012 0.000 1.263 152 F CB 0.517 39.416 39.000 -0.169 0.000 1.013 152 F HN 0.310 nan 8.300 nan 0.000 0.532 153 G N 0.893 109.814 108.800 0.201 0.000 2.612 153 G HA2 -0.219 3.743 3.960 0.004 0.000 0.686 153 G HA3 -0.219 3.743 3.960 0.004 0.000 0.686 153 G C 0.300 175.275 174.900 0.126 0.000 1.274 153 G CA -0.207 44.981 45.100 0.148 0.000 0.849 153 G HN 0.179 nan 8.290 nan 0.000 0.595 154 E N 0.180 120.410 120.200 0.050 0.000 2.153 154 E HA 0.100 4.453 4.350 0.004 0.000 0.194 154 E C 2.703 179.276 176.600 -0.045 0.000 0.988 154 E CA 2.651 59.058 56.400 0.011 0.000 0.811 154 E CB -0.463 29.236 29.700 -0.002 0.000 0.746 154 E HN 1.575 nan 8.360 nan 0.000 0.466 155 A N -0.359 122.380 122.820 -0.134 0.000 2.032 155 A HA -0.175 4.148 4.320 0.004 0.000 0.221 155 A C 1.388 178.669 177.584 -0.505 0.000 1.165 155 A CA 1.539 53.355 52.037 -0.369 0.000 0.645 155 A CB -0.779 17.875 19.000 -0.578 0.000 0.807 155 A HN 0.512 nan 8.150 nan 0.000 0.453 156 Y N -1.407 118.910 120.300 0.028 0.000 2.524 156 Y HA 0.417 4.970 4.550 0.005 0.000 0.266 156 Y C 2.170 178.062 175.900 -0.013 0.000 1.180 156 Y CA 0.005 58.106 58.100 0.003 0.000 1.244 156 Y CB 0.012 38.450 38.460 -0.036 0.000 1.125 156 Y HN 0.289 nan 8.280 nan 0.000 0.524 157 A N -0.035 122.830 122.820 0.074 0.000 2.125 157 A HA -0.186 4.136 4.320 0.004 0.000 0.219 157 A C 1.839 179.463 177.584 0.067 0.000 1.156 157 A CA 1.295 53.365 52.037 0.054 0.000 0.671 157 A CB -0.224 18.799 19.000 0.038 0.000 0.794 157 A HN 0.523 nan 8.150 nan 0.000 0.459 158 Q N -1.230 118.609 119.800 0.066 0.000 2.319 158 Q HA 0.307 4.650 4.340 0.004 0.000 0.202 158 Q C 1.931 177.984 176.000 0.088 0.000 0.896 158 Q CA 0.327 56.173 55.803 0.071 0.000 0.942 158 Q CB 0.072 28.836 28.738 0.043 0.000 1.083 158 Q HN 0.655 nan 8.270 nan 0.000 0.510 159 A N 0.584 123.467 122.820 0.106 0.000 2.024 159 A HA -0.113 4.210 4.320 0.004 0.000 0.220 159 A C 2.066 179.712 177.584 0.104 0.000 1.164 159 A CA 1.555 53.663 52.037 0.120 0.000 0.643 159 A CB -0.714 18.334 19.000 0.080 0.000 0.806 159 A HN 0.462 nan 8.150 nan 0.000 0.451 160 G N -0.879 108.019 108.800 0.165 0.000 2.598 160 G HA2 -0.073 3.889 3.960 0.004 0.000 0.215 160 G HA3 -0.073 3.889 3.960 0.004 0.000 0.215 160 G C 0.761 175.753 174.900 0.152 0.000 1.131 160 G CA 0.854 46.090 45.100 0.227 0.000 0.785 160 G HN 0.670 nan 8.290 nan 0.000 0.539 161 N N -0.653 118.066 118.700 0.031 0.000 2.377 161 N HA 0.285 5.028 4.740 0.004 0.000 0.259 161 N C 1.423 176.821 175.510 -0.187 0.000 1.332 161 N CA -0.268 52.758 53.050 -0.040 0.000 0.877 161 N CB 0.687 39.194 38.487 0.034 0.000 1.299 161 N HN 0.077 nan 8.380 nan 0.000 0.501 162 L N -0.087 120.980 121.223 -0.259 0.000 2.083 162 L HA -0.054 4.289 4.340 0.004 0.000 0.209 162 L C 2.479 179.200 176.870 -0.249 0.000 1.083 162 L CA 1.417 56.145 54.840 -0.187 0.000 0.752 162 L CB -0.465 41.531 42.059 -0.105 0.000 0.899 162 L HN 0.364 nan 8.230 nan 0.000 0.433 163 G N 0.251 108.703 108.800 -0.581 0.000 2.432 163 G HA2 -0.197 3.766 3.960 0.004 0.000 0.219 163 G HA3 -0.197 3.766 3.960 0.004 0.000 0.219 163 G C 1.511 176.400 174.900 -0.019 0.000 1.135 163 G CA 0.345 45.324 45.100 -0.202 0.000 0.767 163 G HN 0.165 nan 8.290 nan 0.000 0.550 164 I N 0.775 121.317 120.570 -0.047 0.000 2.252 164 I HA -0.020 4.153 4.170 0.004 0.000 0.245 164 I C 2.769 178.884 176.117 -0.004 0.000 1.102 164 I CA 0.683 61.980 61.300 -0.005 0.000 1.385 164 I CB -1.076 36.939 38.000 0.024 0.000 1.064 164 I HN 0.167 nan 8.210 nan 0.000 0.414 165 L N 0.313 121.534 121.223 -0.003 0.000 2.131 165 L HA -0.215 4.128 4.340 0.004 0.000 0.210 165 L C 2.182 179.098 176.870 0.077 0.000 1.092 165 L CA 1.095 55.953 54.840 0.030 0.000 0.759 165 L CB -0.620 41.452 42.059 0.022 0.000 0.903 165 L HN 0.201 nan 8.230 nan 0.000 0.435 166 D N -0.036 120.425 120.400 0.103 0.000 2.097 166 D HA -0.194 4.449 4.640 0.004 0.000 0.195 166 D C 2.305 178.727 176.300 0.203 0.000 0.989 166 D CA 1.175 55.315 54.000 0.233 0.000 0.827 166 D CB -0.148 40.817 40.800 0.275 0.000 0.966 166 D HN 0.385 nan 8.370 nan 0.000 0.456 167 Q N 0.150 120.006 119.800 0.093 0.000 2.084 167 Q HA -0.093 4.249 4.340 0.004 0.000 0.202 167 Q C 2.399 178.424 176.000 0.041 0.000 0.978 167 Q CA 0.894 56.723 55.803 0.043 0.000 0.844 167 Q CB -0.039 28.663 28.738 -0.061 0.000 0.898 167 Q HN 0.144 nan 8.270 nan 0.000 0.426 168 V N 1.066 120.995 119.914 0.025 0.000 2.343 168 V HA -0.296 3.826 4.120 0.004 0.000 0.247 168 V C 2.280 178.403 176.094 0.049 0.000 1.051 168 V CA 1.785 64.095 62.300 0.017 0.000 1.036 168 V CB -1.043 30.798 31.823 0.030 0.000 0.654 168 V HN 0.419 nan 8.190 nan 0.000 0.451 169 A N 0.082 122.965 122.820 0.105 0.000 1.908 169 A HA -0.151 4.172 4.320 0.004 0.000 0.218 169 A C 2.434 180.108 177.584 0.149 0.000 1.181 169 A CA 2.216 54.363 52.037 0.184 0.000 0.627 169 A CB -0.802 18.379 19.000 0.301 0.000 0.818 169 A HN 0.579 nan 8.150 nan 0.000 0.445 170 A N -0.864 121.866 122.820 -0.149 0.000 1.902 170 A HA -0.008 4.315 4.320 0.004 0.000 0.217 170 A C 2.095 179.756 177.584 0.129 0.000 1.181 170 A CA 1.700 53.514 52.037 -0.373 0.000 0.623 170 A CB -0.551 18.013 19.000 -0.728 0.000 0.818 170 A HN 0.532 nan 8.150 nan 0.000 0.443 171 L N -0.079 121.151 121.223 0.013 0.000 2.093 171 L HA -0.086 4.257 4.340 0.004 0.000 0.208 171 L C 2.467 179.331 176.870 -0.010 0.000 1.085 171 L CA 1.701 56.394 54.840 -0.245 0.000 0.755 171 L CB -0.627 41.150 42.059 -0.470 0.000 0.904 171 L HN 0.342 nan 8.230 nan 0.000 0.435 172 R N -2.136 118.406 120.500 0.070 0.000 2.096 172 R HA -0.241 4.101 4.340 0.004 0.000 0.235 172 R C 2.138 178.552 176.300 0.189 0.000 1.127 172 R CA 1.860 58.025 56.100 0.109 0.000 0.968 172 R CB -0.709 29.663 30.300 0.120 0.000 0.861 172 R HN 0.511 nan 8.270 nan 0.000 0.440 173 W N 0.855 122.216 121.300 0.101 0.000 2.335 173 W HA -0.227 4.436 4.660 0.006 0.000 0.311 173 W C 1.887 178.489 176.519 0.138 0.000 1.213 173 W CA 1.306 58.751 57.345 0.167 0.000 1.274 173 W CB -0.198 29.382 29.460 0.200 0.000 1.148 173 W HN -0.227 nan 8.180 nan 0.000 0.498 174 V N 0.966 121.188 119.914 0.513 0.000 2.295 174 V HA -0.328 3.795 4.120 0.004 0.000 0.246 174 V C 2.269 178.434 176.094 0.119 0.000 1.049 174 V CA 2.380 64.905 62.300 0.374 0.000 1.024 174 V CB -1.060 31.003 31.823 0.401 0.000 0.648 174 V HN 0.131 nan 8.190 nan 0.000 0.447 175 K N 0.341 120.780 120.400 0.066 0.000 2.103 175 K HA -0.238 4.085 4.320 0.004 0.000 0.207 175 K C 2.167 178.744 176.600 -0.040 0.000 1.048 175 K CA 1.969 58.262 56.287 0.009 0.000 0.930 175 K CB -0.215 32.285 32.500 0.001 0.000 0.716 175 K HN 0.584 nan 8.250 nan 0.000 0.444 176 E N -0.738 119.412 120.200 -0.083 0.000 2.158 176 E HA -0.107 4.246 4.350 0.004 0.000 0.191 176 E C 0.600 177.050 176.600 -0.250 0.000 0.982 176 E CA 1.191 57.494 56.400 -0.161 0.000 0.823 176 E CB 0.176 29.770 29.700 -0.177 0.000 0.766 176 E HN 0.423 nan 8.360 nan 0.000 0.468 177 N N -0.640 117.853 118.700 -0.344 0.000 2.193 177 N HA 0.075 4.818 4.740 0.004 0.000 0.210 177 N C 1.101 176.573 175.510 -0.062 0.000 1.215 177 N CA -0.121 52.701 53.050 -0.379 0.000 0.901 177 N CB 0.439 38.323 38.487 -1.005 0.000 1.060 177 N HN 0.021 nan 8.380 nan 0.000 0.508 178 I N 1.475 122.066 120.570 0.036 0.000 2.614 178 I HA -0.011 4.161 4.170 0.004 0.000 0.258 178 I C 1.989 178.218 176.117 0.187 0.000 1.189 178 I CA 0.402 61.828 61.300 0.209 0.000 1.462 178 I CB -0.241 37.863 38.000 0.173 0.000 1.092 178 I HN 0.158 nan 8.210 nan 0.000 0.442 179 A N 0.431 123.290 122.820 0.065 0.000 1.986 179 A HA -0.196 4.127 4.320 0.004 0.000 0.220 179 A C 2.468 180.044 177.584 -0.014 0.000 1.171 179 A CA 1.778 53.829 52.037 0.022 0.000 0.640 179 A CB -1.112 17.873 19.000 -0.024 0.000 0.811 179 A HN 0.484 nan 8.150 nan 0.000 0.451 180 A N -1.740 121.036 122.820 -0.073 0.000 2.067 180 A HA 0.138 4.461 4.320 0.004 0.000 0.219 180 A C 1.458 178.781 177.584 -0.436 0.000 1.158 180 A CA 1.009 52.879 52.037 -0.277 0.000 0.661 180 A CB -0.575 18.183 19.000 -0.404 0.000 0.801 180 A HN 0.489 nan 8.150 nan 0.000 0.452 181 F N -1.000 118.851 119.950 -0.164 0.000 2.693 181 F HA 0.391 4.921 4.527 0.004 0.000 0.303 181 F C 1.687 177.470 175.800 -0.028 0.000 1.097 181 F CA 0.535 58.407 58.000 -0.213 0.000 1.330 181 F CB 0.313 39.152 39.000 -0.269 0.000 1.067 181 F HN 0.311 nan 8.300 nan 0.000 0.565 182 G N 0.207 109.075 108.800 0.114 0.000 2.141 182 G HA2 -0.126 3.837 3.960 0.004 0.000 0.231 182 G HA3 -0.126 3.837 3.960 0.004 0.000 0.231 182 G C 0.448 175.425 174.900 0.129 0.000 0.984 182 G CA -0.298 44.873 45.100 0.119 0.000 0.660 182 G HN 0.731 nan 8.290 nan 0.000 0.525 183 G N -0.820 108.062 108.800 0.137 0.000 2.471 183 G HA2 0.540 4.503 3.960 0.004 0.000 0.332 183 G HA3 0.540 4.503 3.960 0.004 0.000 0.332 183 G C -1.228 173.719 174.900 0.079 0.000 1.176 183 G CA -0.010 45.164 45.100 0.123 0.000 0.949 183 G HN 0.187 nan 8.290 nan 0.000 0.488 184 D N 0.861 121.298 120.400 0.061 0.000 2.359 184 D HA 0.311 4.954 4.640 0.004 0.000 0.230 184 D C -1.196 175.124 176.300 0.032 0.000 1.118 184 D CA -2.357 51.663 54.000 0.033 0.000 0.844 184 D CB 2.088 42.898 40.800 0.017 0.000 1.059 184 D HN 0.024 nan 8.370 nan 0.000 0.493 185 P HA -0.041 nan 4.420 nan 0.000 0.230 185 P C 0.133 177.433 177.300 0.001 0.000 1.158 185 P CA 0.616 63.727 63.100 0.017 0.000 0.769 185 P CB 0.568 32.268 31.700 -0.001 0.000 0.807 186 D N -1.069 119.325 120.400 -0.010 0.000 2.349 186 D HA 0.023 4.665 4.640 0.004 0.000 0.214 186 D C 0.431 176.714 176.300 -0.029 0.000 1.063 186 D CA 0.402 54.386 54.000 -0.027 0.000 0.847 186 D CB -0.285 40.495 40.800 -0.034 0.000 0.933 186 D HN 0.083 nan 8.370 nan 0.000 0.513 187 N N 0.847 119.540 118.700 -0.013 0.000 2.696 187 N HA 0.196 4.939 4.740 0.004 0.000 0.308 187 N C -1.086 174.427 175.510 0.004 0.000 1.915 187 N CA -0.186 52.851 53.050 -0.022 0.000 0.906 187 N CB 0.114 38.583 38.487 -0.031 0.000 1.284 187 N HN -0.034 nan 8.380 nan 0.000 0.488 188 I N 0.394 120.984 120.570 0.035 0.000 2.353 188 I HA 0.256 4.428 4.170 0.004 0.000 0.293 188 I C 0.170 176.352 176.117 0.110 0.000 0.992 188 I CA -0.268 61.083 61.300 0.084 0.000 1.268 188 I CB 1.559 39.617 38.000 0.096 0.000 1.387 188 I HN -0.005 nan 8.210 nan 0.000 0.478 189 T N 7.139 121.753 114.554 0.100 0.000 2.770 189 T HA 0.507 4.860 4.350 0.004 0.000 0.283 189 T C -0.049 174.782 174.700 0.219 0.000 0.988 189 T CA -0.450 61.721 62.100 0.118 0.000 0.957 189 T CB 0.738 69.600 68.868 -0.010 0.000 0.930 189 T HN 0.420 nan 8.240 nan 0.000 0.443 190 I N 2.106 122.797 120.570 0.201 0.000 2.440 190 I HA 0.842 5.015 4.170 0.004 0.000 0.294 190 I C -0.573 175.792 176.117 0.413 0.000 0.995 190 I CA -0.883 60.584 61.300 0.278 0.000 1.306 190 I CB 0.743 38.685 38.000 -0.097 0.000 1.407 190 I HN 0.682 nan 8.210 nan 0.000 0.501 191 F N 2.398 122.459 119.950 0.184 0.000 2.686 191 F HA 0.977 5.508 4.527 0.005 0.000 0.311 191 F C -0.372 175.446 175.800 0.029 0.000 1.128 191 F CA -0.830 57.298 58.000 0.212 0.000 0.946 191 F CB 1.769 41.009 39.000 0.400 0.000 1.336 191 F HN 0.835 nan 8.300 nan 0.000 0.457 192 G N 0.760 109.510 108.800 -0.084 0.000 2.547 192 G HA2 0.500 4.463 3.960 0.004 0.000 0.291 192 G HA3 0.500 4.463 3.960 0.004 0.000 0.291 192 G C -2.575 172.208 174.900 -0.196 0.000 1.471 192 G CA -0.950 43.693 45.100 -0.761 0.000 0.798 192 G HN 1.074 nan 8.290 nan 0.000 0.504 193 E N -0.164 119.890 120.200 -0.244 0.000 2.256 193 E HA 0.751 5.104 4.350 0.004 0.000 0.267 193 E C 0.503 177.108 176.600 0.008 0.000 0.892 193 E CA -0.037 56.433 56.400 0.117 0.000 0.775 193 E CB 1.910 31.828 29.700 0.364 0.000 1.207 193 E HN 0.700 nan 8.360 nan 0.000 0.420 194 S N 1.178 116.936 115.700 0.096 0.000 4.112 194 S HA -0.397 4.075 4.470 0.004 0.000 0.602 194 S C 1.509 176.069 174.600 -0.068 0.000 1.939 194 S CA 1.298 59.555 58.200 0.094 0.000 4.230 194 S CB -1.759 61.504 63.200 0.104 0.000 0.245 194 S HN 1.094 nan 8.310 nan 0.000 0.530 195 A N 1.346 124.015 122.820 -0.252 0.000 2.024 195 A HA 0.142 4.465 4.320 0.004 0.000 0.220 195 A C 2.285 179.525 177.584 -0.574 0.000 1.164 195 A CA 2.411 54.059 52.037 -0.647 0.000 0.643 195 A CB -1.446 16.787 19.000 -1.279 0.000 0.806 195 A HN 1.328 nan 8.150 nan 0.000 0.451 196 G N -0.827 107.714 108.800 -0.431 0.000 2.422 196 G HA2 0.086 4.049 3.960 0.004 0.000 0.218 196 G HA3 0.086 4.049 3.960 0.004 0.000 0.218 196 G C 1.622 176.335 174.900 -0.310 0.000 1.140 196 G CA 1.133 45.952 45.100 -0.469 0.000 0.775 196 G HN 0.747 nan 8.290 nan 0.000 0.545 197 A N 0.956 123.672 122.820 -0.173 0.000 1.970 197 A HA 0.471 4.794 4.320 0.004 0.000 0.216 197 A C 2.736 180.304 177.584 -0.027 0.000 1.170 197 A CA 1.709 53.716 52.037 -0.050 0.000 0.645 197 A CB -0.537 18.497 19.000 0.056 0.000 0.816 197 A HN 0.614 nan 8.150 nan 0.000 0.447 198 A N -0.211 122.596 122.820 -0.022 0.000 1.902 198 A HA -0.071 4.251 4.320 0.004 0.000 0.217 198 A C 2.417 180.033 177.584 0.054 0.000 1.181 198 A CA 2.035 54.099 52.037 0.044 0.000 0.623 198 A CB -0.830 18.249 19.000 0.132 0.000 0.818 198 A HN 0.433 nan 8.150 nan 0.000 0.443 199 S N -0.337 115.386 115.700 0.038 0.000 2.359 199 S HA -0.149 4.323 4.470 0.004 0.000 0.224 199 S C 1.884 176.437 174.600 -0.080 0.000 1.035 199 S CA 1.488 59.681 58.200 -0.011 0.000 1.018 199 S CB -0.549 62.562 63.200 -0.149 0.000 0.876 199 S HN 0.351 nan 8.310 nan 0.000 0.448 200 V N 1.710 121.561 119.914 -0.106 0.000 2.392 200 V HA -0.169 3.954 4.120 0.004 0.000 0.249 200 V C 2.598 178.648 176.094 -0.073 0.000 1.059 200 V CA 1.941 64.172 62.300 -0.115 0.000 1.051 200 V CB -1.492 30.287 31.823 -0.073 0.000 0.658 200 V HN 0.602 nan 8.190 nan 0.000 0.455 201 G N -0.417 108.365 108.800 -0.029 0.000 2.418 201 G HA2 -0.188 3.774 3.960 0.004 0.000 0.217 201 G HA3 -0.188 3.774 3.960 0.004 0.000 0.217 201 G C 1.663 176.558 174.900 -0.009 0.000 1.158 201 G CA 1.141 46.238 45.100 -0.005 0.000 0.771 201 G HN 0.387 nan 8.290 nan 0.000 0.545 202 V N 0.932 120.832 119.914 -0.023 0.000 2.295 202 V HA -0.128 3.994 4.120 0.004 0.000 0.246 202 V C 2.911 178.999 176.094 -0.010 0.000 1.049 202 V CA 1.495 63.780 62.300 -0.024 0.000 1.024 202 V CB -0.414 31.391 31.823 -0.030 0.000 0.648 202 V HN 0.343 nan 8.190 nan 0.000 0.447 203 L N -0.888 120.311 121.223 -0.041 0.000 2.093 203 L HA -0.155 4.188 4.340 0.004 0.000 0.208 203 L C 2.373 179.280 176.870 0.061 0.000 1.085 203 L CA 1.244 56.058 54.840 -0.043 0.000 0.755 203 L CB -0.503 41.440 42.059 -0.193 0.000 0.904 203 L HN 0.292 nan 8.230 nan 0.000 0.435 204 L N -0.333 120.924 121.223 0.057 0.000 2.127 204 L HA -0.217 4.125 4.340 0.004 0.000 0.211 204 L C 2.724 179.700 176.870 0.176 0.000 1.089 204 L CA 1.622 56.592 54.840 0.217 0.000 0.757 204 L CB -0.432 41.716 42.059 0.148 0.000 0.899 204 L HN 0.418 nan 8.230 nan 0.000 0.434 205 S N -1.291 114.472 115.700 0.105 0.000 2.501 205 S HA 0.030 4.502 4.470 0.004 0.000 0.220 205 S C 0.659 175.304 174.600 0.075 0.000 0.997 205 S CA -0.245 58.005 58.200 0.084 0.000 0.919 205 S CB -0.042 63.193 63.200 0.057 0.000 0.778 205 S HN 0.096 nan 8.310 nan 0.000 0.523 206 L N 3.545 124.816 121.223 0.080 0.000 2.278 206 L HA 0.448 4.791 4.340 0.004 0.000 0.287 206 L C -1.561 175.348 176.870 0.064 0.000 1.072 206 L CA -2.127 52.750 54.840 0.062 0.000 0.819 206 L CB 1.121 43.214 42.059 0.056 0.000 1.176 206 L HN -0.036 nan 8.230 nan 0.000 0.435 207 P HA -0.197 nan 4.420 nan 0.000 0.216 207 P C 0.566 177.885 177.300 0.031 0.000 1.153 207 P CA 1.319 64.438 63.100 0.032 0.000 0.858 207 P CB 0.354 32.066 31.700 0.021 0.000 0.789 208 E N -0.528 119.693 120.200 0.035 0.000 2.481 208 E HA 0.112 4.464 4.350 0.004 0.000 0.195 208 E C 1.765 178.393 176.600 0.046 0.000 1.047 208 E CA 0.742 57.161 56.400 0.032 0.000 0.867 208 E CB -0.707 29.011 29.700 0.030 0.000 0.858 208 E HN 0.242 nan 8.360 nan 0.000 0.513 209 A N 0.432 123.296 122.820 0.075 0.000 2.308 209 A HA 0.140 4.463 4.320 0.004 0.000 0.217 209 A C 1.140 178.799 177.584 0.125 0.000 1.216 209 A CA -0.229 51.885 52.037 0.129 0.000 0.864 209 A CB 0.223 19.336 19.000 0.189 0.000 0.902 209 A HN 0.135 nan 8.150 nan 0.000 0.499 210 S N -0.409 115.312 115.700 0.035 0.000 2.533 210 S HA 0.411 4.884 4.470 0.004 0.000 0.282 210 S C 1.407 175.923 174.600 -0.140 0.000 1.304 210 S CA 0.896 59.048 58.200 -0.080 0.000 1.063 210 S CB 0.241 63.410 63.200 -0.052 0.000 0.881 210 S HN 1.789 nan 8.310 nan 0.000 0.493 211 G N 3.702 112.334 108.800 -0.279 0.000 2.199 211 G HA2 -0.218 3.745 3.960 0.004 0.000 0.254 211 G HA3 -0.218 3.745 3.960 0.004 0.000 0.254 211 G C 0.642 175.434 174.900 -0.181 0.000 0.982 211 G CA 0.427 45.396 45.100 -0.219 0.000 0.632 211 G HN 0.703 nan 8.290 nan 0.000 0.529 212 L N -0.438 120.707 121.223 -0.130 0.000 2.418 212 L HA 0.392 4.734 4.340 0.004 0.000 0.218 212 L C 1.144 178.052 176.870 0.063 0.000 1.125 212 L CA 0.868 55.710 54.840 0.003 0.000 0.835 212 L CB -0.236 41.880 42.059 0.095 0.000 0.953 212 L HN 0.504 nan 8.230 nan 0.000 0.454 213 F N -4.311 115.591 119.950 -0.079 0.000 2.662 213 F HA 0.491 5.021 4.527 0.005 0.000 0.312 213 F C 0.640 176.412 175.800 -0.047 0.000 1.113 213 F CA -1.172 56.784 58.000 -0.073 0.000 0.951 213 F CB 1.336 40.287 39.000 -0.082 0.000 1.344 213 F HN -0.391 nan 8.300 nan 0.000 0.462 214 R N 0.088 120.601 120.500 0.022 0.000 2.195 214 R HA 0.435 4.778 4.340 0.004 0.000 0.197 214 R C -0.183 176.131 176.300 0.024 0.000 0.990 214 R CA 0.212 56.270 56.100 -0.069 0.000 1.048 214 R CB 0.476 30.740 30.300 -0.061 0.000 0.997 214 R HN 0.835 nan 8.270 nan 0.000 0.502 215 R N -1.046 119.565 120.500 0.185 0.000 2.817 215 R HA 0.663 5.006 4.340 0.004 0.000 0.268 215 R C -1.650 174.864 176.300 0.357 0.000 1.027 215 R CA -0.816 55.406 56.100 0.203 0.000 0.928 215 R CB 2.054 32.310 30.300 -0.073 0.000 1.228 215 R HN 0.064 nan 8.270 nan 0.000 0.469 216 A N 1.603 124.646 122.820 0.372 0.000 2.515 216 A HA 0.752 5.074 4.320 0.004 0.000 0.298 216 A C -1.128 176.595 177.584 0.232 0.000 1.059 216 A CA -0.833 51.356 52.037 0.254 0.000 0.698 216 A CB 1.796 20.890 19.000 0.157 0.000 1.289 216 A HN 0.581 nan 8.150 nan 0.000 0.404 217 M N 1.784 121.504 119.600 0.200 0.000 2.326 217 M HA 0.513 4.995 4.480 0.004 0.000 0.306 217 M C -1.737 174.712 176.300 0.248 0.000 1.054 217 M CA -0.426 54.953 55.300 0.131 0.000 0.922 217 M CB 1.853 34.484 32.600 0.051 0.000 1.632 217 M HN 0.434 nan 8.290 nan 0.000 0.436 218 L N 3.476 124.825 121.223 0.211 0.000 2.345 218 L HA 0.409 4.752 4.340 0.004 0.000 0.274 218 L C -0.608 176.443 176.870 0.303 0.000 0.999 218 L CA -0.127 54.837 54.840 0.207 0.000 0.849 218 L CB 1.679 43.802 42.059 0.107 0.000 1.220 218 L HN 0.641 nan 8.230 nan 0.000 0.422 219 Q N 1.942 121.973 119.800 0.384 0.000 2.398 219 Q HA 0.438 4.781 4.340 0.004 0.000 0.251 219 Q C 0.144 176.323 176.000 0.298 0.000 0.999 219 Q CA -0.460 55.629 55.803 0.477 0.000 0.874 219 Q CB 1.257 30.352 28.738 0.595 0.000 1.215 219 Q HN 0.627 nan 8.270 nan 0.000 0.470 220 S N 1.185 117.019 115.700 0.224 0.000 3.706 220 S HA -0.156 4.316 4.470 0.004 0.000 0.363 220 S C 0.013 174.789 174.600 0.293 0.000 0.999 220 S CA 0.527 58.825 58.200 0.164 0.000 1.143 220 S CB -1.131 62.118 63.200 0.083 0.000 0.902 220 S HN 0.994 nan 8.310 nan 0.000 0.476 221 G N -0.593 108.358 108.800 0.253 0.000 2.466 221 G HA2 0.696 4.658 3.960 0.004 0.000 0.291 221 G HA3 0.696 4.658 3.960 0.004 0.000 0.291 221 G C -0.970 173.993 174.900 0.105 0.000 1.460 221 G CA 0.266 45.500 45.100 0.223 0.000 0.791 221 G HN 1.283 nan 8.290 nan 0.000 0.505 222 S N -1.872 113.860 115.700 0.053 0.000 2.656 222 S HA 0.664 5.136 4.470 0.004 0.000 0.273 222 S C 1.293 175.894 174.600 0.002 0.000 1.168 222 S CA 0.542 58.752 58.200 0.016 0.000 0.817 222 S CB 1.115 64.308 63.200 -0.012 0.000 1.146 222 S HN 2.059 nan 8.310 nan 0.000 0.475 223 G N 0.950 109.747 108.800 -0.005 0.000 2.501 223 G HA2 -0.130 3.832 3.960 0.004 0.000 0.220 223 G HA3 -0.130 3.832 3.960 0.004 0.000 0.220 223 G C 1.351 176.197 174.900 -0.090 0.000 1.114 223 G CA 1.217 46.292 45.100 -0.041 0.000 0.757 223 G HN 1.306 nan 8.290 nan 0.000 0.559 224 S N -0.670 115.006 115.700 -0.040 0.000 2.496 224 S HA 0.201 4.673 4.470 0.004 0.000 0.224 224 S C 0.995 175.558 174.600 -0.062 0.000 0.996 224 S CA -0.303 57.875 58.200 -0.037 0.000 0.927 224 S CB -0.068 63.151 63.200 0.033 0.000 0.774 224 S HN 0.171 nan 8.310 nan 0.000 0.524 225 L N 2.961 124.153 121.223 -0.052 0.000 2.418 225 L HA 0.356 4.698 4.340 0.004 0.000 0.274 225 L C 0.475 177.363 176.870 0.029 0.000 1.135 225 L CA 0.183 54.995 54.840 -0.047 0.000 0.870 225 L CB -0.401 41.640 42.059 -0.031 0.000 1.154 225 L HN 0.418 nan 8.230 nan 0.000 0.462 226 L N 3.053 124.291 121.223 0.024 0.000 4.696 226 L HA -0.244 4.099 4.340 0.004 0.000 0.425 226 L C -0.057 176.794 176.870 -0.032 0.000 1.115 226 L CA 0.073 54.949 54.840 0.060 0.000 0.996 226 L CB -1.495 40.704 42.059 0.233 0.000 2.077 226 L HN 0.561 nan 8.230 nan 0.000 0.792 227 L N 1.394 122.578 121.223 -0.064 0.000 2.416 227 L HA 0.361 4.704 4.340 0.004 0.000 0.272 227 L C 0.852 177.667 176.870 -0.092 0.000 1.161 227 L CA 0.707 55.477 54.840 -0.117 0.000 0.845 227 L CB 0.666 42.632 42.059 -0.156 0.000 1.119 227 L HN 0.019 nan 8.230 nan 0.000 0.464 228 R N 2.559 122.994 120.500 -0.108 0.000 2.711 228 R HA 0.559 4.901 4.340 0.004 0.000 0.284 228 R C -0.412 175.831 176.300 -0.095 0.000 0.968 228 R CA -0.663 55.383 56.100 -0.090 0.000 0.924 228 R CB 1.666 31.908 30.300 -0.097 0.000 1.162 228 R HN 0.803 nan 8.270 nan 0.000 0.465 229 S N 1.349 117.006 115.700 -0.073 0.000 2.632 229 S HA 0.254 4.727 4.470 0.004 0.000 0.267 229 S C -1.833 172.690 174.600 -0.128 0.000 1.276 229 S CA -1.181 56.974 58.200 -0.075 0.000 0.998 229 S CB 1.296 64.475 63.200 -0.035 0.000 0.953 229 S HN 0.329 nan 8.310 nan 0.000 0.547 230 P HA -0.036 nan 4.420 nan 0.000 0.217 230 P C 0.982 178.246 177.300 -0.059 0.000 1.150 230 P CA 1.138 64.105 63.100 -0.222 0.000 0.832 230 P CB -0.009 31.637 31.700 -0.090 0.000 0.787 231 E N -0.836 119.353 120.200 -0.018 0.000 2.051 231 E HA -0.115 4.238 4.350 0.004 0.000 0.192 231 E C 2.142 178.749 176.600 0.011 0.000 0.991 231 E CA 1.549 57.958 56.400 0.014 0.000 0.799 231 E CB -1.594 28.112 29.700 0.010 0.000 0.748 231 E HN 0.164 nan 8.360 nan 0.000 0.449 232 T N 0.328 114.874 114.554 -0.013 0.000 2.708 232 T HA -0.162 4.191 4.350 0.004 0.000 0.266 232 T C 1.876 176.569 174.700 -0.011 0.000 1.037 232 T CA 1.561 63.652 62.100 -0.015 0.000 1.146 232 T CB -0.404 68.447 68.868 -0.028 0.000 0.865 232 T HN 0.292 nan 8.240 nan 0.000 0.435 233 A N 1.129 123.931 122.820 -0.030 0.000 1.933 233 A HA -0.072 4.251 4.320 0.004 0.000 0.218 233 A C 2.221 179.880 177.584 0.126 0.000 1.175 233 A CA 1.865 53.909 52.037 0.010 0.000 0.628 233 A CB -0.636 18.307 19.000 -0.094 0.000 0.814 233 A HN 0.434 nan 8.150 nan 0.000 0.444 234 M N 0.418 120.131 119.600 0.188 0.000 2.117 234 M HA -0.000 4.482 4.480 0.004 0.000 0.262 234 M C 2.109 178.460 176.300 0.083 0.000 1.065 234 M CA 1.613 57.026 55.300 0.187 0.000 1.114 234 M CB -0.814 31.889 32.600 0.171 0.000 1.361 234 M HN 0.363 nan 8.290 nan 0.000 0.408 235 A N 0.026 122.878 122.820 0.053 0.000 1.902 235 A HA -0.197 4.125 4.320 0.004 0.000 0.217 235 A C 2.203 179.799 177.584 0.020 0.000 1.181 235 A CA 2.180 54.234 52.037 0.028 0.000 0.623 235 A CB -0.737 18.272 19.000 0.015 0.000 0.818 235 A HN 0.636 nan 8.150 nan 0.000 0.443 236 M N -1.061 118.548 119.600 0.015 0.000 2.086 236 M HA -0.135 4.348 4.480 0.004 0.000 0.261 236 M C 2.256 178.568 176.300 0.020 0.000 1.067 236 M CA 1.997 57.295 55.300 -0.003 0.000 1.116 236 M CB -0.829 31.746 32.600 -0.041 0.000 1.348 236 M HN 0.391 nan 8.290 nan 0.000 0.407 237 T N 0.251 114.832 114.554 0.045 0.000 2.759 237 T HA -0.158 4.194 4.350 0.004 0.000 0.269 237 T C 1.618 176.336 174.700 0.030 0.000 1.042 237 T CA 1.366 63.492 62.100 0.042 0.000 1.140 237 T CB -0.266 68.630 68.868 0.046 0.000 0.864 237 T HN 0.454 nan 8.240 nan 0.000 0.455 238 E N 0.549 120.766 120.200 0.029 0.000 2.110 238 E HA -0.109 4.244 4.350 0.004 0.000 0.193 238 E C 2.565 179.177 176.600 0.019 0.000 0.988 238 E CA 0.829 57.242 56.400 0.022 0.000 0.804 238 E CB -0.040 29.669 29.700 0.016 0.000 0.745 238 E HN 0.425 nan 8.360 nan 0.000 0.458 239 R N 0.247 120.758 120.500 0.018 0.000 2.073 239 R HA -0.047 4.296 4.340 0.004 0.000 0.229 239 R C 2.427 178.741 176.300 0.023 0.000 1.120 239 R CA 0.926 57.036 56.100 0.017 0.000 0.967 239 R CB -0.217 30.090 30.300 0.012 0.000 0.862 239 R HN 0.181 nan 8.270 nan 0.000 0.436 240 I N 1.022 121.609 120.570 0.029 0.000 2.179 240 I HA -0.288 3.885 4.170 0.004 0.000 0.242 240 I C 2.154 178.286 176.117 0.024 0.000 1.088 240 I CA 1.369 62.691 61.300 0.038 0.000 1.357 240 I CB -0.294 37.739 38.000 0.055 0.000 1.051 240 I HN 0.133 nan 8.210 nan 0.000 0.409 241 L N 0.279 121.513 121.223 0.019 0.000 2.131 241 L HA -0.230 4.113 4.340 0.004 0.000 0.210 241 L C 2.215 179.100 176.870 0.025 0.000 1.092 241 L CA 1.387 56.240 54.840 0.021 0.000 0.759 241 L CB -0.723 41.362 42.059 0.044 0.000 0.903 241 L HN 0.293 nan 8.230 nan 0.000 0.435 242 D N 0.340 120.753 120.400 0.022 0.000 2.097 242 D HA -0.198 4.444 4.640 0.004 0.000 0.195 242 D C 2.149 178.461 176.300 0.020 0.000 0.989 242 D CA 1.275 55.286 54.000 0.019 0.000 0.827 242 D CB 0.179 40.988 40.800 0.015 0.000 0.966 242 D HN -0.023 nan 8.370 nan 0.000 0.456 243 K N -0.014 120.400 120.400 0.023 0.000 2.211 243 K HA 0.035 4.358 4.320 0.004 0.000 0.203 243 K C 1.882 178.498 176.600 0.026 0.000 1.050 243 K CA 0.958 57.260 56.287 0.026 0.000 0.945 243 K CB -0.235 32.284 32.500 0.032 0.000 0.732 243 K HN 0.230 nan 8.250 nan 0.000 0.451 244 A N 0.229 123.064 122.820 0.024 0.000 2.169 244 A HA 0.222 4.544 4.320 0.004 0.000 0.212 244 A C 1.276 178.874 177.584 0.024 0.000 1.153 244 A CA 0.917 52.968 52.037 0.023 0.000 0.756 244 A CB -0.195 18.813 19.000 0.014 0.000 0.813 244 A HN 0.344 nan 8.150 nan 0.000 0.471 245 G N -0.637 108.177 108.800 0.023 0.000 2.198 245 G HA2 -0.221 3.741 3.960 0.004 0.000 0.257 245 G HA3 -0.221 3.741 3.960 0.004 0.000 0.257 245 G C -0.087 174.831 174.900 0.029 0.000 1.042 245 G CA 0.426 45.540 45.100 0.023 0.000 0.791 245 G HN 0.499 nan 8.290 nan 0.000 0.502 246 I N 0.976 121.568 120.570 0.036 0.000 2.362 246 I HA 0.385 4.557 4.170 0.004 0.000 0.289 246 I C 0.980 177.139 176.117 0.069 0.000 0.994 246 I CA -1.045 60.292 61.300 0.061 0.000 1.158 246 I CB 1.079 39.117 38.000 0.064 0.000 1.315 246 I HN 0.156 nan 8.210 nan 0.000 0.451 247 R N 5.667 126.198 120.500 0.051 0.000 2.490 247 R HA 0.353 4.696 4.340 0.004 0.000 0.280 247 R C -2.556 173.726 176.300 -0.030 0.000 1.077 247 R CA -1.827 54.276 56.100 0.006 0.000 1.065 247 R CB -0.451 29.836 30.300 -0.021 0.000 1.003 247 R HN 0.217 nan 8.270 nan 0.000 0.470 248 P HA -0.071 nan 4.420 nan 0.000 0.260 248 P C 0.656 177.586 177.300 -0.617 0.000 1.185 248 P CA 1.454 64.356 63.100 -0.330 0.000 0.763 248 P CB 0.484 32.057 31.700 -0.211 0.000 0.776 249 G N 2.818 110.721 108.800 -1.496 0.000 2.213 249 G HA2 -0.211 3.752 3.960 0.004 0.000 0.236 249 G HA3 -0.211 3.752 3.960 0.004 0.000 0.236 249 G C 0.223 174.849 174.900 -0.457 0.000 0.991 249 G CA -0.188 44.268 45.100 -1.074 0.000 0.629 249 G HN 0.584 nan 8.290 nan 0.000 0.517 250 D N 0.720 121.040 120.400 -0.133 0.000 2.470 250 D HA 0.349 4.992 4.640 0.004 0.000 0.226 250 D C 1.692 178.191 176.300 0.332 0.000 1.196 250 D CA -0.377 53.694 54.000 0.120 0.000 0.979 250 D CB 0.096 40.948 40.800 0.087 0.000 1.059 250 D HN 0.427 nan 8.370 nan 0.000 0.515 251 R N 1.696 122.363 120.500 0.279 0.000 2.115 251 R HA -0.069 4.274 4.340 0.004 0.000 0.230 251 R C 1.630 177.984 176.300 0.089 0.000 1.111 251 R CA 0.780 56.997 56.100 0.195 0.000 0.976 251 R CB 0.333 30.754 30.300 0.201 0.000 0.870 251 R HN 0.503 nan 8.270 nan 0.000 0.445 252 E N 0.113 120.369 120.200 0.093 0.000 2.058 252 E HA -0.247 4.106 4.350 0.004 0.000 0.194 252 E C 1.989 178.622 176.600 0.055 0.000 0.997 252 E CA 1.193 57.633 56.400 0.066 0.000 0.801 252 E CB -0.062 29.672 29.700 0.056 0.000 0.746 252 E HN 0.111 nan 8.360 nan 0.000 0.450 253 R N 1.077 121.613 120.500 0.061 0.000 2.153 253 R HA -0.055 4.288 4.340 0.004 0.000 0.218 253 R C 2.218 178.534 176.300 0.028 0.000 1.072 253 R CA 0.482 56.610 56.100 0.047 0.000 0.990 253 R CB -0.527 29.804 30.300 0.053 0.000 0.889 253 R HN 0.100 nan 8.270 nan 0.000 0.452 254 L N 0.157 121.377 121.223 -0.006 0.000 2.042 254 L HA -0.065 4.278 4.340 0.004 0.000 0.210 254 L C 1.672 178.551 176.870 0.015 0.000 1.076 254 L CA 1.780 56.555 54.840 -0.109 0.000 0.749 254 L CB -0.153 41.630 42.059 -0.460 0.000 0.893 254 L HN 0.308 nan 8.230 nan 0.000 0.432 255 L N -1.602 119.635 121.223 0.024 0.000 2.477 255 L HA 0.050 4.392 4.340 0.004 0.000 0.220 255 L C 2.178 179.079 176.870 0.051 0.000 1.106 255 L CA 0.813 55.689 54.840 0.059 0.000 0.851 255 L CB -0.365 41.735 42.059 0.069 0.000 0.994 255 L HN 0.394 nan 8.230 nan 0.000 0.462 256 S N -0.732 114.994 115.700 0.044 0.000 2.517 256 S HA 0.098 4.571 4.470 0.004 0.000 0.214 256 S C 0.857 175.482 174.600 0.042 0.000 0.991 256 S CA -0.410 57.815 58.200 0.040 0.000 0.906 256 S CB -0.066 63.155 63.200 0.036 0.000 0.789 256 S HN 0.246 nan 8.310 nan 0.000 0.513 257 I N 3.490 124.088 120.570 0.047 0.000 2.710 257 I HA 0.184 4.357 4.170 0.004 0.000 0.286 257 I C -2.482 173.673 176.117 0.063 0.000 1.181 257 I CA -2.133 59.197 61.300 0.049 0.000 1.430 257 I CB 0.825 38.852 38.000 0.046 0.000 1.367 257 I HN 0.050 nan 8.210 nan 0.000 0.577 258 P HA -0.015 nan 4.420 nan 0.000 0.264 258 P C 0.059 177.423 177.300 0.107 0.000 1.183 258 P CA 0.105 63.243 63.100 0.062 0.000 0.763 258 P CB 0.833 32.560 31.700 0.046 0.000 0.807 259 A N 3.809 126.702 122.820 0.122 0.000 1.940 259 A HA -0.227 4.096 4.320 0.004 0.000 0.219 259 A C 1.916 179.643 177.584 0.238 0.000 1.176 259 A CA 1.487 53.674 52.037 0.250 0.000 0.631 259 A CB -0.791 18.226 19.000 0.027 0.000 0.814 259 A HN 0.573 nan 8.150 nan 0.000 0.446 260 E N -0.493 119.772 120.200 0.109 0.000 2.152 260 E HA -0.132 4.220 4.350 0.004 0.000 0.192 260 E C 1.812 178.471 176.600 0.097 0.000 0.983 260 E CA 0.849 57.304 56.400 0.092 0.000 0.818 260 E CB -0.089 29.636 29.700 0.042 0.000 0.758 260 E HN 0.609 nan 8.360 nan 0.000 0.467 261 E N 0.728 120.979 120.200 0.086 0.000 2.107 261 E HA -0.138 4.215 4.350 0.004 0.000 0.191 261 E C 2.183 178.827 176.600 0.073 0.000 0.982 261 E CA 0.328 56.769 56.400 0.067 0.000 0.809 261 E CB -0.249 29.482 29.700 0.051 0.000 0.756 261 E HN 0.147 nan 8.360 nan 0.000 0.459 262 L N 1.019 122.296 121.223 0.090 0.000 2.046 262 L HA -0.125 4.218 4.340 0.004 0.000 0.208 262 L C 2.320 179.218 176.870 0.047 0.000 1.077 262 L CA 1.164 56.026 54.840 0.037 0.000 0.747 262 L CB -0.635 41.402 42.059 -0.036 0.000 0.896 262 L HN 0.098 nan 8.230 nan 0.000 0.432 263 L N -0.377 120.937 121.223 0.152 0.000 2.046 263 L HA -0.192 4.151 4.340 0.004 0.000 0.208 263 L C 2.750 179.692 176.870 0.120 0.000 1.077 263 L CA 1.903 56.849 54.840 0.177 0.000 0.747 263 L CB -0.589 41.628 42.059 0.264 0.000 0.896 263 L HN 0.307 nan 8.230 nan 0.000 0.432 264 R N -0.477 120.082 120.500 0.098 0.000 2.091 264 R HA -0.184 4.158 4.340 0.004 0.000 0.238 264 R C 2.196 178.540 176.300 0.073 0.000 1.136 264 R CA 1.530 57.676 56.100 0.076 0.000 0.959 264 R CB -0.471 29.864 30.300 0.058 0.000 0.856 264 R HN 0.531 nan 8.270 nan 0.000 0.437 265 A N 0.551 123.411 122.820 0.066 0.000 1.883 265 A HA -0.141 4.181 4.320 0.004 0.000 0.217 265 A C 2.376 180.005 177.584 0.076 0.000 1.186 265 A CA 1.813 53.885 52.037 0.058 0.000 0.624 265 A CB -0.980 18.047 19.000 0.044 0.000 0.822 265 A HN 0.557 nan 8.150 nan 0.000 0.444 266 A N -0.159 122.722 122.820 0.102 0.000 1.858 266 A HA -0.074 4.249 4.320 0.004 0.000 0.216 266 A C 2.121 179.806 177.584 0.168 0.000 1.190 266 A CA 1.574 53.707 52.037 0.161 0.000 0.617 266 A CB -0.751 18.393 19.000 0.241 0.000 0.827 266 A HN 0.483 nan 8.150 nan 0.000 0.443 267 L N 0.847 122.166 121.223 0.159 0.000 2.265 267 L HA -0.143 4.200 4.340 0.004 0.000 0.215 267 L C 2.659 179.589 176.870 0.100 0.000 1.117 267 L CA 1.266 56.193 54.840 0.146 0.000 0.782 267 L CB -0.453 41.681 42.059 0.123 0.000 0.914 267 L HN 0.613 nan 8.230 nan 0.000 0.441 268 S N -0.458 115.291 115.700 0.081 0.000 2.555 268 S HA -0.028 4.445 4.470 0.004 0.000 0.230 268 S C 1.570 176.202 174.600 0.052 0.000 0.978 268 S CA 0.461 58.696 58.200 0.058 0.000 0.934 268 S CB -0.268 62.960 63.200 0.048 0.000 0.766 268 S HN 0.454 nan 8.310 nan 0.000 0.533 269 L N 0.877 122.137 121.223 0.062 0.000 2.607 269 L HA 0.339 4.682 4.340 0.004 0.000 0.228 269 L C 1.922 178.817 176.870 0.043 0.000 1.123 269 L CA 0.233 55.100 54.840 0.044 0.000 0.890 269 L CB -0.813 41.269 42.059 0.037 0.000 1.103 269 L HN 0.557 nan 8.230 nan 0.000 0.468 270 G N 1.677 110.514 108.800 0.061 0.000 2.651 270 G HA2 -0.343 3.620 3.960 0.004 0.000 0.315 270 G HA3 -0.343 3.620 3.960 0.004 0.000 0.315 270 G C -1.574 173.361 174.900 0.058 0.000 1.258 270 G CA 0.441 45.579 45.100 0.062 0.000 1.002 270 G HN 0.265 nan 8.290 nan 0.000 0.551 271 P HA 0.223 nan 4.420 nan 0.000 0.245 271 P C 1.273 178.583 177.300 0.017 0.000 1.203 271 P CA 1.481 64.608 63.100 0.044 0.000 0.792 271 P CB -0.004 31.719 31.700 0.038 0.000 0.997 272 G N 0.015 108.817 108.800 0.003 0.000 3.414 272 G HA2 0.325 4.288 3.960 0.004 0.000 0.258 272 G HA3 0.325 4.288 3.960 0.004 0.000 0.258 272 G C -0.394 174.484 174.900 -0.037 0.000 1.348 272 G CA 0.058 45.151 45.100 -0.012 0.000 1.319 272 G HN 0.174 nan 8.290 nan 0.000 0.555 273 V N 1.186 121.058 119.914 -0.069 0.000 2.781 273 V HA 0.358 4.481 4.120 0.004 0.000 0.289 273 V C -0.873 175.071 176.094 -0.250 0.000 1.275 273 V CA -0.747 61.444 62.300 -0.182 0.000 0.936 273 V CB 1.796 33.511 31.823 -0.181 0.000 1.074 273 V HN 0.247 nan 8.190 nan 0.000 0.444 274 M N 4.413 123.820 119.600 -0.321 0.000 2.518 274 M HA 0.620 5.103 4.480 0.004 0.000 0.300 274 M C -1.397 174.650 176.300 -0.421 0.000 1.175 274 M CA -0.529 54.618 55.300 -0.254 0.000 0.890 274 M CB 2.552 35.130 32.600 -0.037 0.000 1.710 274 M HN 0.585 nan 8.290 nan 0.000 0.453 275 Y N -0.234 120.106 120.300 0.067 0.000 2.419 275 Y HA 0.816 5.369 4.550 0.005 0.000 0.328 275 Y C 0.918 176.687 175.900 -0.218 0.000 1.162 275 Y CA -0.177 57.913 58.100 -0.017 0.000 1.174 275 Y CB 2.120 40.623 38.460 0.072 0.000 1.228 275 Y HN 0.856 nan 8.280 nan 0.000 0.473 276 G N 1.046 109.581 108.800 -0.441 0.000 2.320 276 G HA2 0.316 4.278 3.960 0.004 0.000 0.297 276 G HA3 0.316 4.278 3.960 0.004 0.000 0.297 276 G C -3.448 171.018 174.900 -0.723 0.000 1.344 276 G CA -1.297 43.160 45.100 -1.072 0.000 0.851 276 G HN 0.247 nan 8.290 nan 0.000 0.567 277 P HA 0.397 nan 4.420 nan 0.000 0.270 277 P C -0.431 176.793 177.300 -0.127 0.000 1.223 277 P CA -0.312 62.670 63.100 -0.197 0.000 0.785 277 P CB 1.418 32.998 31.700 -0.201 0.000 0.923 278 V N 3.301 123.179 119.914 -0.060 0.000 2.588 278 V HA 0.210 4.332 4.120 0.004 0.000 0.304 278 V C -0.459 175.575 176.094 -0.100 0.000 1.042 278 V CA -0.935 61.296 62.300 -0.114 0.000 0.877 278 V CB 2.092 33.801 31.823 -0.191 0.000 0.996 278 V HN 0.153 nan 8.190 nan 0.000 0.425 279 V N 7.386 127.238 119.914 -0.105 0.000 2.242 279 V HA 0.168 4.290 4.120 0.004 0.000 0.242 279 V C 0.833 176.890 176.094 -0.062 0.000 1.240 279 V CA 0.332 62.592 62.300 -0.067 0.000 1.211 279 V CB -0.091 31.704 31.823 -0.047 0.000 1.338 279 V HN 1.048 nan 8.190 nan 0.000 0.499 280 D N 2.038 122.414 120.400 -0.040 0.000 2.360 280 D HA 0.168 4.811 4.640 0.004 0.000 0.210 280 D C 1.570 177.895 176.300 0.042 0.000 1.047 280 D CA 0.700 54.701 54.000 0.003 0.000 0.854 280 D CB 0.492 41.336 40.800 0.073 0.000 0.936 280 D HN 0.611 nan 8.370 nan 0.000 0.514 281 G N 0.496 109.310 108.800 0.022 0.000 2.176 281 G HA2 -0.319 3.644 3.960 0.004 0.000 0.253 281 G HA3 -0.319 3.644 3.960 0.004 0.000 0.253 281 G C 1.217 176.134 174.900 0.028 0.000 0.979 281 G CA 0.436 45.551 45.100 0.024 0.000 0.641 281 G HN 0.372 nan 8.290 nan 0.000 0.530 282 R N -1.006 119.515 120.500 0.036 0.000 2.411 282 R HA 0.382 4.725 4.340 0.004 0.000 0.176 282 R C 2.261 178.578 176.300 0.028 0.000 1.072 282 R CA 1.090 57.210 56.100 0.034 0.000 1.132 282 R CB -0.672 29.656 30.300 0.046 0.000 1.203 282 R HN 0.362 nan 8.270 nan 0.000 0.537 283 V N 1.818 121.750 119.914 0.031 0.000 2.426 283 V HA 0.059 4.182 4.120 0.004 0.000 0.242 283 V C 0.713 176.816 176.094 0.015 0.000 1.036 283 V CA 0.921 63.235 62.300 0.023 0.000 1.044 283 V CB -0.149 31.689 31.823 0.025 0.000 0.688 283 V HN -0.007 nan 8.190 nan 0.000 0.462 284 L N 0.619 121.847 121.223 0.009 0.000 2.262 284 L HA 0.414 4.756 4.340 0.004 0.000 0.288 284 L C 1.116 177.985 176.870 -0.002 0.000 1.035 284 L CA 0.495 55.333 54.840 -0.004 0.000 0.820 284 L CB 1.166 43.210 42.059 -0.025 0.000 1.204 284 L HN 0.017 nan 8.230 nan 0.000 0.424 285 R N 2.653 123.154 120.500 0.001 0.000 2.290 285 R HA 0.233 4.576 4.340 0.004 0.000 0.197 285 R C 0.018 176.317 176.300 -0.003 0.000 0.913 285 R CA 0.133 56.233 56.100 -0.000 0.000 1.040 285 R CB 0.402 30.701 30.300 -0.002 0.000 0.992 285 R HN 0.606 nan 8.270 nan 0.000 0.500 286 R N -1.454 119.048 120.500 0.004 0.000 2.733 286 R HA 0.208 4.551 4.340 0.004 0.000 0.272 286 R C -1.084 175.247 176.300 0.053 0.000 1.029 286 R CA -0.906 55.209 56.100 0.025 0.000 0.888 286 R CB 0.471 30.776 30.300 0.008 0.000 1.251 286 R HN -0.094 nan 8.270 nan 0.000 0.464 287 H N 2.192 121.260 119.070 -0.004 0.000 3.094 287 H HA 0.025 4.584 4.556 0.005 0.000 0.320 287 H C -1.474 173.864 175.328 0.017 0.000 1.000 287 H CA -0.503 55.546 56.048 0.002 0.000 1.413 287 H CB 1.315 31.080 29.762 0.006 0.000 1.405 287 H HN 0.412 nan 8.280 nan 0.000 0.586 288 P HA -0.086 nan 4.420 nan 0.000 0.221 288 P C 1.626 179.002 177.300 0.127 0.000 1.150 288 P CA 0.936 64.036 63.100 -0.000 0.000 0.800 288 P CB 0.394 32.041 31.700 -0.087 0.000 0.787 289 I N -0.286 120.477 120.570 0.321 0.000 2.400 289 I HA -0.093 4.079 4.170 0.004 0.000 0.248 289 I C 2.319 178.556 176.117 0.199 0.000 1.109 289 I CA 0.954 62.399 61.300 0.241 0.000 1.425 289 I CB -0.557 37.583 38.000 0.233 0.000 1.094 289 I HN -0.133 nan 8.210 nan 0.000 0.425 290 E N 1.324 121.676 120.200 0.253 0.000 2.153 290 E HA -0.182 4.170 4.350 0.004 0.000 0.194 290 E C 2.284 179.054 176.600 0.283 0.000 0.988 290 E CA 1.326 57.842 56.400 0.193 0.000 0.811 290 E CB -0.229 29.559 29.700 0.147 0.000 0.746 290 E HN 0.468 nan 8.360 nan 0.000 0.466 291 A N 1.158 124.116 122.820 0.231 0.000 1.972 291 A HA -0.125 4.198 4.320 0.004 0.000 0.219 291 A C 2.331 180.042 177.584 0.211 0.000 1.169 291 A CA 0.882 53.052 52.037 0.222 0.000 0.635 291 A CB -0.638 18.439 19.000 0.130 0.000 0.810 291 A HN 0.203 nan 8.150 nan 0.000 0.446 292 L N -1.169 120.143 121.223 0.147 0.000 2.187 292 L HA -0.191 4.152 4.340 0.004 0.000 0.213 292 L C 2.635 179.538 176.870 0.056 0.000 1.100 292 L CA 1.340 56.239 54.840 0.097 0.000 0.765 292 L CB -0.493 41.610 42.059 0.074 0.000 0.904 292 L HN 0.365 nan 8.230 nan 0.000 0.437 293 R N -1.080 119.438 120.500 0.029 0.000 2.235 293 R HA -0.099 4.244 4.340 0.004 0.000 0.213 293 R C 1.117 177.211 176.300 -0.344 0.000 1.059 293 R CA 0.855 56.849 56.100 -0.177 0.000 0.997 293 R CB -0.061 30.054 30.300 -0.309 0.000 0.884 293 R HN 0.326 nan 8.270 nan 0.000 0.462 294 Y N -0.594 119.720 120.300 0.023 0.000 2.493 294 Y HA 0.264 4.817 4.550 0.004 0.000 0.275 294 Y C 1.316 177.227 175.900 0.017 0.000 1.183 294 Y CA 0.179 58.290 58.100 0.018 0.000 1.258 294 Y CB 0.877 39.348 38.460 0.018 0.000 1.108 294 Y HN 0.184 nan 8.280 nan 0.000 0.521 295 G N -0.059 108.794 108.800 0.088 0.000 2.132 295 G HA2 -0.319 3.643 3.960 0.004 0.000 0.228 295 G HA3 -0.319 3.643 3.960 0.004 0.000 0.228 295 G C 1.293 176.232 174.900 0.065 0.000 1.000 295 G CA 0.277 45.412 45.100 0.058 0.000 0.693 295 G HN 0.536 nan 8.290 nan 0.000 0.515 296 A N -0.504 122.369 122.820 0.088 0.000 1.986 296 A HA 0.363 4.686 4.320 0.004 0.000 0.220 296 A C 2.131 179.749 177.584 0.058 0.000 1.171 296 A CA 2.374 54.456 52.037 0.076 0.000 0.640 296 A CB -0.166 18.890 19.000 0.093 0.000 0.811 296 A HN 2.088 nan 8.150 nan 0.000 0.451 297 A N -0.667 122.188 122.820 0.059 0.000 2.674 297 A HA 0.486 4.808 4.320 0.004 0.000 0.286 297 A C 1.409 179.012 177.584 0.033 0.000 0.980 297 A CA 0.769 52.837 52.037 0.053 0.000 1.028 297 A CB -0.427 18.635 19.000 0.104 0.000 1.199 297 A HN 0.676 nan 8.150 nan 0.000 0.499 298 S N -0.756 114.955 115.700 0.018 0.000 2.400 298 S HA -0.093 4.379 4.470 0.004 0.000 0.232 298 S C 1.523 176.125 174.600 0.003 0.000 1.025 298 S CA 1.614 59.821 58.200 0.012 0.000 0.993 298 S CB -0.369 62.834 63.200 0.006 0.000 0.808 298 S HN 0.935 nan 8.310 nan 0.000 0.478 299 G N 0.802 109.593 108.800 -0.015 0.000 3.523 299 G HA2 0.443 4.406 3.960 0.004 0.000 0.270 299 G HA3 0.443 4.406 3.960 0.004 0.000 0.270 299 G C 0.016 174.903 174.900 -0.020 0.000 1.134 299 G CA -0.403 44.683 45.100 -0.023 0.000 0.825 299 G HN 0.388 nan 8.290 nan 0.000 0.534 300 I N 2.384 122.960 120.570 0.010 0.000 2.354 300 I HA 0.314 4.487 4.170 0.004 0.000 0.286 300 I C -2.334 173.848 176.117 0.108 0.000 1.007 300 I CA -3.278 58.049 61.300 0.045 0.000 1.167 300 I CB 1.334 39.386 38.000 0.086 0.000 1.320 300 I HN -0.083 nan 8.210 nan 0.000 0.458 301 P HA 0.423 nan 4.420 nan 0.000 0.274 301 P C -0.608 176.920 177.300 0.379 0.000 1.231 301 P CA -0.173 63.064 63.100 0.229 0.000 0.790 301 P CB 1.405 33.240 31.700 0.225 0.000 0.951 302 I N -0.940 119.822 120.570 0.320 0.000 2.865 302 I HA 0.651 4.824 4.170 0.004 0.000 0.302 302 I C -1.469 174.581 176.117 -0.111 0.000 1.140 302 I CA -1.573 59.839 61.300 0.187 0.000 1.021 302 I CB 2.548 40.607 38.000 0.098 0.000 1.233 302 I HN 0.180 nan 8.210 nan 0.000 0.427 303 L N 5.738 126.710 121.223 -0.418 0.000 2.356 303 L HA 0.743 5.085 4.340 0.004 0.000 0.277 303 L C -1.459 175.342 176.870 -0.115 0.000 0.996 303 L CA -0.614 53.920 54.840 -0.510 0.000 0.822 303 L CB 1.696 42.992 42.059 -1.272 0.000 1.256 303 L HN 0.801 nan 8.230 nan 0.000 0.413 304 I N 3.971 124.585 120.570 0.073 0.000 2.752 304 I HA 0.862 5.035 4.170 0.004 0.000 0.295 304 I C -0.681 175.375 176.117 -0.102 0.000 1.219 304 I CA -0.195 61.143 61.300 0.063 0.000 1.030 304 I CB 2.193 40.177 38.000 -0.026 0.000 1.259 304 I HN 0.714 nan 8.210 nan 0.000 0.423 305 G N 5.037 113.598 108.800 -0.398 0.000 2.548 305 G HA2 0.625 4.587 3.960 0.004 0.000 0.301 305 G HA3 0.625 4.587 3.960 0.004 0.000 0.301 305 G C -1.763 172.836 174.900 -0.502 0.000 1.349 305 G CA -0.118 44.331 45.100 -1.086 0.000 0.792 305 G HN 0.975 nan 8.290 nan 0.000 0.481 306 V N -3.216 116.509 119.914 -0.315 0.000 3.078 306 V HA 0.860 4.982 4.120 0.004 0.000 0.311 306 V C -0.195 176.025 176.094 0.209 0.000 1.138 306 V CA -0.872 61.430 62.300 0.003 0.000 1.007 306 V CB 1.451 33.280 31.823 0.010 0.000 1.045 306 V HN 0.832 nan 8.190 nan 0.000 0.432 307 T N 2.728 117.391 114.554 0.183 0.000 2.761 307 T HA 0.262 4.615 4.350 0.004 0.000 0.296 307 T C 0.110 174.936 174.700 0.211 0.000 0.934 307 T CA 0.003 62.270 62.100 0.279 0.000 1.091 307 T CB 0.416 69.397 68.868 0.189 0.000 0.896 307 T HN 0.930 nan 8.240 nan 0.000 0.515 308 K N 3.276 123.827 120.400 0.251 0.000 2.491 308 K HA -0.101 4.222 4.320 0.004 0.000 0.279 308 K C 0.060 176.760 176.600 0.167 0.000 1.026 308 K CA 0.252 56.657 56.287 0.197 0.000 1.070 308 K CB 0.105 32.689 32.500 0.141 0.000 0.887 308 K HN 0.582 nan 8.250 nan 0.000 0.481 309 D N 2.348 122.854 120.400 0.177 0.000 2.837 309 D HA -0.205 4.437 4.640 0.004 0.000 0.230 309 D C 0.615 177.016 176.300 0.167 0.000 1.152 309 D CA 1.315 55.418 54.000 0.172 0.000 0.736 309 D CB -0.728 40.160 40.800 0.146 0.000 1.084 309 D HN 0.851 nan 8.370 nan 0.000 0.429 310 E N -1.054 119.213 120.200 0.112 0.000 2.160 310 E HA -0.220 4.133 4.350 0.004 0.000 0.195 310 E C 1.740 178.437 176.600 0.160 0.000 0.991 310 E CA 0.758 57.199 56.400 0.068 0.000 0.810 310 E CB -0.070 29.474 29.700 -0.260 0.000 0.742 310 E HN 0.574 nan 8.360 nan 0.000 0.466 311 Y N 1.093 121.405 120.300 0.019 0.000 2.571 311 Y HA -0.092 4.461 4.550 0.005 0.000 0.294 311 Y C 1.598 177.515 175.900 0.028 0.000 1.141 311 Y CA 1.011 59.004 58.100 -0.178 0.000 1.308 311 Y CB 0.162 38.420 38.460 -0.337 0.000 1.002 311 Y HN 0.157 nan 8.280 nan 0.000 0.551 312 N N -0.037 118.827 118.700 0.273 0.000 2.309 312 N HA -0.131 4.611 4.740 0.004 0.000 0.182 312 N C 1.623 177.299 175.510 0.277 0.000 1.018 312 N CA 1.107 54.374 53.050 0.361 0.000 0.876 312 N CB -0.446 38.292 38.487 0.419 0.000 0.972 312 N HN 0.398 nan 8.380 nan 0.000 0.434 313 L N -0.646 120.746 121.223 0.283 0.000 2.275 313 L HA -0.008 4.334 4.340 0.004 0.000 0.215 313 L C 1.278 178.348 176.870 0.332 0.000 1.119 313 L CA 0.536 55.566 54.840 0.317 0.000 0.790 313 L CB -0.429 41.846 42.059 0.360 0.000 0.919 313 L HN -0.026 nan 8.230 nan 0.000 0.443 314 F N 0.328 120.132 119.950 -0.244 0.000 2.546 314 F HA -0.124 4.406 4.527 0.005 0.000 0.298 314 F C 2.671 178.474 175.800 0.006 0.000 1.120 314 F CA 1.226 59.028 58.000 -0.330 0.000 1.456 314 F CB -1.216 37.362 39.000 -0.704 0.000 1.088 314 F HN 0.184 nan 8.300 nan 0.000 0.572 315 T N -2.862 111.781 114.554 0.148 0.000 3.072 315 T HA -0.069 4.284 4.350 0.004 0.000 0.266 315 T C 1.967 176.709 174.700 0.070 0.000 1.127 315 T CA 0.729 62.867 62.100 0.064 0.000 1.107 315 T CB -0.514 68.172 68.868 -0.304 0.000 0.910 315 T HN 0.310 nan 8.240 nan 0.000 0.513 316 L N 1.660 122.950 121.223 0.112 0.000 2.109 316 L HA 0.033 4.376 4.340 0.004 0.000 0.207 316 L C 3.156 180.076 176.870 0.084 0.000 1.086 316 L CA 1.599 56.487 54.840 0.080 0.000 0.760 316 L CB -0.761 41.342 42.059 0.072 0.000 0.910 316 L HN 0.497 nan 8.230 nan 0.000 0.437 317 T N -5.146 109.495 114.554 0.146 0.000 3.037 317 T HA -0.020 4.333 4.350 0.004 0.000 0.251 317 T C 0.527 175.305 174.700 0.130 0.000 1.079 317 T CA 0.085 62.253 62.100 0.113 0.000 1.067 317 T CB 0.139 69.081 68.868 0.123 0.000 0.948 317 T HN 0.038 nan 8.240 nan 0.000 0.496 318 D N 1.566 122.079 120.400 0.189 0.000 2.468 318 D HA 0.378 5.020 4.640 0.004 0.000 0.272 318 D C -2.355 174.056 176.300 0.185 0.000 1.221 318 D CA -2.395 51.721 54.000 0.193 0.000 0.860 318 D CB 1.581 42.568 40.800 0.312 0.000 1.190 318 D HN -0.009 nan 8.370 nan 0.000 0.509 319 P HA -0.111 nan 4.420 nan 0.000 0.225 319 P C 1.479 178.785 177.300 0.010 0.000 1.148 319 P CA 0.736 63.849 63.100 0.022 0.000 0.779 319 P CB 0.159 31.858 31.700 -0.001 0.000 0.780 320 S N -1.974 113.712 115.700 -0.023 0.000 2.400 320 S HA -0.231 4.242 4.470 0.004 0.000 0.232 320 S C 1.798 176.365 174.600 -0.055 0.000 1.025 320 S CA 0.788 58.940 58.200 -0.080 0.000 0.993 320 S CB -1.782 61.320 63.200 -0.164 0.000 0.808 320 S HN 0.222 nan 8.310 nan 0.000 0.478 321 W N 2.509 123.806 121.300 -0.005 0.000 2.308 321 W HA -0.188 4.474 4.660 0.004 0.000 0.301 321 W C 3.060 179.556 176.519 -0.038 0.000 1.220 321 W CA 1.716 59.066 57.345 0.008 0.000 1.240 321 W CB -0.894 28.571 29.460 0.009 0.000 1.142 321 W HN 0.596 nan 8.180 nan 0.000 0.521 322 T N -2.395 112.182 114.554 0.039 0.000 3.085 322 T HA 0.016 4.369 4.350 0.004 0.000 0.263 322 T C 1.338 176.098 174.700 0.100 0.000 1.127 322 T CA 0.935 62.983 62.100 -0.087 0.000 1.103 322 T CB -0.119 68.581 68.868 -0.280 0.000 0.921 322 T HN 0.127 nan 8.240 nan 0.000 0.510 323 K N 0.545 120.994 120.400 0.081 0.000 2.166 323 K HA 0.309 4.632 4.320 0.004 0.000 0.201 323 K C 0.652 177.313 176.600 0.102 0.000 1.052 323 K CA 0.071 56.405 56.287 0.078 0.000 0.969 323 K CB -0.168 32.353 32.500 0.035 0.000 0.761 323 K HN 0.326 nan 8.250 nan 0.000 0.459 324 L N 1.926 123.216 121.223 0.113 0.000 2.525 324 L HA -0.018 4.325 4.340 0.004 0.000 0.278 324 L C 1.009 177.966 176.870 0.145 0.000 1.218 324 L CA -0.359 54.548 54.840 0.113 0.000 0.878 324 L CB 0.069 42.206 42.059 0.131 0.000 1.127 324 L HN 0.233 nan 8.230 nan 0.000 0.492 325 G N 1.766 110.629 108.800 0.106 0.000 2.616 325 G HA2 0.111 4.073 3.960 0.004 0.000 0.268 325 G HA3 0.111 4.073 3.960 0.004 0.000 0.268 325 G C 0.630 175.595 174.900 0.108 0.000 1.213 325 G CA -0.420 44.746 45.100 0.109 0.000 0.926 325 G HN 0.824 nan 8.290 nan 0.000 0.523 326 E N 0.488 120.754 120.200 0.110 0.000 2.070 326 E HA -0.227 4.126 4.350 0.004 0.000 0.197 326 E C 2.945 179.506 176.600 -0.065 0.000 1.004 326 E CA 1.846 58.290 56.400 0.074 0.000 0.805 326 E CB -0.114 29.660 29.700 0.122 0.000 0.744 326 E HN 0.562 nan 8.360 nan 0.000 0.451 327 K N 1.412 121.788 120.400 -0.041 0.000 2.001 327 K HA -0.206 4.116 4.320 0.004 0.000 0.208 327 K C 1.801 178.369 176.600 -0.052 0.000 1.048 327 K CA 1.761 58.007 56.287 -0.069 0.000 0.932 327 K CB -0.892 31.587 32.500 -0.034 0.000 0.715 327 K HN 0.164 nan 8.250 nan 0.000 0.437 328 E N 0.042 120.235 120.200 -0.010 0.000 2.118 328 E HA -0.118 4.235 4.350 0.004 0.000 0.195 328 E C 2.015 178.628 176.600 0.021 0.000 0.992 328 E CA 1.072 57.474 56.400 0.003 0.000 0.804 328 E CB -0.126 29.585 29.700 0.019 0.000 0.741 328 E HN 0.445 nan 8.360 nan 0.000 0.458 329 L N 0.413 121.665 121.223 0.049 0.000 1.970 329 L HA -0.213 4.130 4.340 0.004 0.000 0.212 329 L C 2.399 179.309 176.870 0.066 0.000 1.071 329 L CA 1.330 56.245 54.840 0.125 0.000 0.751 329 L CB -0.403 41.747 42.059 0.152 0.000 0.889 329 L HN 0.372 nan 8.230 nan 0.000 0.432 330 L N -0.141 121.015 121.223 -0.111 0.000 2.046 330 L HA -0.246 4.096 4.340 0.004 0.000 0.208 330 L C 2.313 179.133 176.870 -0.083 0.000 1.077 330 L CA 1.914 56.634 54.840 -0.200 0.000 0.747 330 L CB -1.062 40.751 42.059 -0.411 0.000 0.896 330 L HN 0.389 nan 8.230 nan 0.000 0.432 331 D N -0.671 119.693 120.400 -0.060 0.000 2.144 331 D HA -0.238 4.404 4.640 0.004 0.000 0.199 331 D C 2.130 178.436 176.300 0.011 0.000 0.984 331 D CA 1.058 55.043 54.000 -0.026 0.000 0.834 331 D CB -0.133 40.651 40.800 -0.027 0.000 0.955 331 D HN 0.307 nan 8.370 nan 0.000 0.465 332 R N 0.645 121.168 120.500 0.037 0.000 2.073 332 R HA -0.080 4.263 4.340 0.004 0.000 0.234 332 R C 2.479 178.866 176.300 0.144 0.000 1.134 332 R CA 0.957 57.098 56.100 0.068 0.000 0.952 332 R CB -0.349 29.987 30.300 0.060 0.000 0.850 332 R HN 0.111 nan 8.270 nan 0.000 0.433 333 I N 1.232 121.914 120.570 0.186 0.000 2.226 333 I HA -0.302 3.871 4.170 0.004 0.000 0.245 333 I C 2.056 178.234 176.117 0.101 0.000 1.100 333 I CA 1.083 62.482 61.300 0.166 0.000 1.374 333 I CB -0.433 37.635 38.000 0.113 0.000 1.057 333 I HN 0.308 nan 8.210 nan 0.000 0.413 334 N N 0.986 119.724 118.700 0.064 0.000 2.149 334 N HA -0.165 4.578 4.740 0.004 0.000 0.188 334 N C 1.937 177.480 175.510 0.055 0.000 1.019 334 N CA 1.356 54.438 53.050 0.054 0.000 0.857 334 N CB -0.148 38.350 38.487 0.018 0.000 0.997 334 N HN 0.350 nan 8.380 nan 0.000 0.426 335 R N 0.777 121.307 120.500 0.050 0.000 2.075 335 R HA -0.010 4.333 4.340 0.004 0.000 0.232 335 R C 1.902 178.232 176.300 0.051 0.000 1.126 335 R CA 0.969 57.093 56.100 0.041 0.000 0.963 335 R CB -0.079 30.237 30.300 0.027 0.000 0.858 335 R HN 0.423 nan 8.270 nan 0.000 0.435 336 E N 0.283 120.527 120.200 0.074 0.000 2.072 336 E HA -0.095 4.257 4.350 0.004 0.000 0.190 336 E C 1.495 178.124 176.600 0.049 0.000 0.982 336 E CA 1.709 58.155 56.400 0.077 0.000 0.803 336 E CB 0.288 30.073 29.700 0.141 0.000 0.755 336 E HN 0.318 nan 8.360 nan 0.000 0.453 337 V N -2.995 116.951 119.914 0.052 0.000 3.261 337 V HA 0.424 4.546 4.120 0.004 0.000 0.330 337 V C 0.587 176.743 176.094 0.103 0.000 1.461 337 V CA -0.125 62.198 62.300 0.038 0.000 1.127 337 V CB 0.347 32.162 31.823 -0.014 0.000 1.044 337 V HN 0.065 nan 8.190 nan 0.000 0.499 338 G N 1.894 110.759 108.800 0.108 0.000 2.588 338 G HA2 0.576 4.539 3.960 0.004 0.000 0.278 338 G HA3 0.576 4.539 3.960 0.004 0.000 0.278 338 G C -2.107 172.869 174.900 0.127 0.000 1.307 338 G CA -0.820 44.363 45.100 0.139 0.000 1.016 338 G HN 0.459 nan 8.290 nan 0.000 0.503 339 P HA 0.341 nan 4.420 nan 0.000 0.277 339 P C -0.865 176.534 177.300 0.166 0.000 1.240 339 P CA -0.372 62.795 63.100 0.110 0.000 0.798 339 P CB 1.618 33.361 31.700 0.072 0.000 0.979 340 V N 4.160 124.127 119.914 0.088 0.000 2.328 340 V HA 0.245 4.367 4.120 0.004 0.000 0.278 340 V C -1.729 174.288 176.094 -0.129 0.000 1.021 340 V CA -1.567 60.722 62.300 -0.018 0.000 0.838 340 V CB 0.648 32.462 31.823 -0.014 0.000 0.999 340 V HN 0.622 nan 8.190 nan 0.000 0.447 341 P HA 0.106 nan 4.420 nan 0.000 0.270 341 P C 0.727 177.922 177.300 -0.176 0.000 1.223 341 P CA -0.266 62.739 63.100 -0.158 0.000 0.785 341 P CB 0.903 32.510 31.700 -0.155 0.000 0.923 342 E N 0.514 120.652 120.200 -0.104 0.000 2.150 342 E HA -0.224 4.128 4.350 0.004 0.000 0.193 342 E C 1.086 177.633 176.600 -0.088 0.000 0.985 342 E CA 1.280 57.634 56.400 -0.076 0.000 0.814 342 E CB -0.475 29.199 29.700 -0.044 0.000 0.752 342 E HN 0.339 nan 8.360 nan 0.000 0.466 343 E N 1.179 121.307 120.200 -0.121 0.000 2.153 343 E HA -0.096 4.256 4.350 0.004 0.000 0.194 343 E C 1.985 178.468 176.600 -0.195 0.000 0.988 343 E CA 1.395 57.720 56.400 -0.125 0.000 0.811 343 E CB -0.309 29.321 29.700 -0.115 0.000 0.746 343 E HN 0.482 nan 8.360 nan 0.000 0.466 344 A N 1.119 123.727 122.820 -0.353 0.000 1.855 344 A HA -0.143 4.180 4.320 0.004 0.000 0.215 344 A C 2.080 179.615 177.584 -0.081 0.000 1.191 344 A CA 1.070 52.788 52.037 -0.530 0.000 0.613 344 A CB -0.493 17.757 19.000 -1.249 0.000 0.829 344 A HN 0.126 nan 8.150 nan 0.000 0.442 345 I N -0.085 120.505 120.570 0.032 0.000 2.145 345 I HA -0.270 3.902 4.170 0.004 0.000 0.244 345 I C 2.556 178.811 176.117 0.230 0.000 1.075 345 I CA 1.853 63.313 61.300 0.267 0.000 1.332 345 I CB -1.257 36.821 38.000 0.129 0.000 1.033 345 I HN 0.416 nan 8.210 nan 0.000 0.410 346 R N -0.210 120.334 120.500 0.074 0.000 2.073 346 R HA -0.241 4.102 4.340 0.004 0.000 0.234 346 R C 2.558 178.854 176.300 -0.005 0.000 1.134 346 R CA 1.744 57.866 56.100 0.036 0.000 0.952 346 R CB -0.552 29.748 30.300 0.001 0.000 0.850 346 R HN 0.372 nan 8.270 nan 0.000 0.433 347 Y N 0.299 120.483 120.300 -0.193 0.000 2.128 347 Y HA -0.231 4.321 4.550 0.004 0.000 0.284 347 Y C 0.242 175.977 175.900 -0.274 0.000 1.154 347 Y CA 1.205 59.129 58.100 -0.294 0.000 1.149 347 Y CB -0.523 37.638 38.460 -0.498 0.000 0.976 347 Y HN -0.003 nan 8.280 nan 0.000 0.505 360 Q N 1.925 121.204 119.800 -0.867 0.000 2.084 360 Q HA -0.101 4.242 4.340 0.004 0.000 0.202 360 Q C 2.071 177.861 176.000 -0.351 0.000 0.978 360 Q CA 3.619 58.935 55.803 -0.813 0.000 0.844 360 Q CB -0.086 28.021 28.738 -1.051 0.000 0.898 360 Q HN 0.214 nan 8.270 nan 0.000 0.426 361 T N -0.711 113.591 114.554 -0.419 0.000 2.701 361 T HA -0.165 4.188 4.350 0.004 0.000 0.263 361 T C 1.061 175.501 174.700 -0.433 0.000 1.040 361 T CA 1.424 63.230 62.100 -0.490 0.000 1.147 361 T CB -0.469 67.927 68.868 -0.787 0.000 0.865 361 T HN 0.485 nan 8.240 nan 0.000 0.426 362 W N 1.086 122.347 121.300 -0.066 0.000 2.519 362 W HA 0.252 4.914 4.660 0.004 0.000 0.266 362 W C 1.856 178.295 176.519 -0.134 0.000 1.253 362 W CA -0.292 56.997 57.345 -0.094 0.000 1.274 362 W CB -0.449 29.010 29.460 -0.002 0.000 1.114 362 W HN 0.149 nan 8.180 nan 0.000 0.596 363 L N 0.469 121.758 121.223 0.110 0.000 2.465 363 L HA -0.066 4.277 4.340 0.004 0.000 0.224 363 L C 2.328 179.157 176.870 -0.068 0.000 1.145 363 L CA 0.800 55.622 54.840 -0.031 0.000 0.834 363 L CB -0.479 41.630 42.059 0.082 0.000 0.944 363 L HN 0.030 nan 8.230 nan 0.000 0.451 364 R N 0.041 120.504 120.500 -0.061 0.000 2.159 364 R HA -0.158 4.185 4.340 0.004 0.000 0.237 364 R C 2.146 178.403 176.300 -0.071 0.000 1.131 364 R CA 1.222 57.313 56.100 -0.015 0.000 0.982 364 R CB -0.265 30.060 30.300 0.042 0.000 0.868 364 R HN 0.353 nan 8.270 nan 0.000 0.453 365 I N 0.255 120.666 120.570 -0.265 0.000 2.226 365 I HA -0.312 3.861 4.170 0.004 0.000 0.245 365 I C 2.263 178.358 176.117 -0.037 0.000 1.100 365 I CA 1.102 62.362 61.300 -0.066 0.000 1.374 365 I CB -0.190 37.816 38.000 0.010 0.000 1.057 365 I HN 0.147 nan 8.210 nan 0.000 0.413 366 M N -0.113 119.326 119.600 -0.269 0.000 2.117 366 M HA -0.155 4.327 4.480 0.004 0.000 0.262 366 M C 2.464 178.544 176.300 -0.368 0.000 1.065 366 M CA 1.861 56.801 55.300 -0.600 0.000 1.114 366 M CB -1.647 30.078 32.600 -1.458 0.000 1.361 366 M HN 0.225 nan 8.290 nan 0.000 0.408 367 T N 0.108 114.619 114.554 -0.072 0.000 2.684 367 T HA -0.220 4.133 4.350 0.004 0.000 0.267 367 T C 1.708 176.521 174.700 0.188 0.000 1.036 367 T CA 1.758 63.994 62.100 0.227 0.000 1.148 367 T CB -0.590 68.431 68.868 0.256 0.000 0.863 367 T HN 0.379 nan 8.240 nan 0.000 0.436 368 Y N 2.158 122.477 120.300 0.032 0.000 2.114 368 Y HA -0.149 4.404 4.550 0.005 0.000 0.284 368 Y C 2.536 178.289 175.900 -0.246 0.000 1.143 368 Y CA 1.374 59.436 58.100 -0.065 0.000 1.135 368 Y CB -0.063 38.391 38.460 -0.010 0.000 0.980 368 Y HN -0.079 nan 8.280 nan 0.000 0.499 369 R N -0.429 119.889 120.500 -0.303 0.000 2.092 369 R HA -0.067 4.276 4.340 0.004 0.000 0.231 369 R C 2.192 178.251 176.300 -0.402 0.000 1.119 369 R CA 1.425 57.260 56.100 -0.442 0.000 0.970 369 R CB -0.930 29.205 30.300 -0.274 0.000 0.864 369 R HN 0.367 nan 8.270 nan 0.000 0.440 370 V N -0.424 119.260 119.914 -0.383 0.000 2.535 370 V HA -0.057 4.066 4.120 0.004 0.000 0.246 370 V C 1.624 177.303 176.094 -0.693 0.000 1.045 370 V CA 1.460 63.432 62.300 -0.547 0.000 1.058 370 V CB -0.299 31.122 31.823 -0.671 0.000 0.689 370 V HN 0.088 nan 8.190 nan 0.000 0.461 371 F N -1.534 118.330 119.950 -0.144 0.000 2.532 371 F HA 0.159 4.689 4.527 0.004 0.000 0.278 371 F C 2.070 177.720 175.800 -0.250 0.000 0.975 371 F CA 0.543 58.468 58.000 -0.126 0.000 1.292 371 F CB -0.116 38.868 39.000 -0.028 0.000 1.112 371 F HN -0.213 nan 8.300 nan 0.000 0.703 372 V N 0.383 120.203 119.914 -0.156 0.000 2.323 372 V HA -0.233 3.890 4.120 0.004 0.000 0.244 372 V C 2.226 177.986 176.094 -0.557 0.000 1.041 372 V CA 2.168 64.235 62.300 -0.389 0.000 1.025 372 V CB -0.495 31.148 31.823 -0.301 0.000 0.656 372 V HN 0.344 nan 8.190 nan 0.000 0.451 373 E N 0.584 120.294 120.200 -0.816 0.000 2.058 373 E HA -0.206 4.147 4.350 0.004 0.000 0.194 373 E C 2.256 178.626 176.600 -0.385 0.000 0.997 373 E CA 1.569 57.532 56.400 -0.728 0.000 0.801 373 E CB -0.468 28.694 29.700 -0.897 0.000 0.746 373 E HN 0.565 nan 8.360 nan 0.000 0.450 374 G N 1.215 109.830 108.800 -0.308 0.000 2.422 374 G HA2 -0.286 3.677 3.960 0.004 0.000 0.218 374 G HA3 -0.286 3.677 3.960 0.004 0.000 0.218 374 G C 1.546 176.355 174.900 -0.153 0.000 1.140 374 G CA 0.847 45.843 45.100 -0.174 0.000 0.775 374 G HN 0.338 nan 8.290 nan 0.000 0.545 375 M N 0.071 119.556 119.600 -0.192 0.000 2.086 375 M HA 0.036 4.519 4.480 0.004 0.000 0.261 375 M C 2.374 178.532 176.300 -0.237 0.000 1.067 375 M CA 1.426 56.606 55.300 -0.199 0.000 1.116 375 M CB -0.225 32.225 32.600 -0.251 0.000 1.348 375 M HN 0.188 nan 8.290 nan 0.000 0.407 376 L N -0.253 120.806 121.223 -0.274 0.000 2.083 376 L HA -0.177 4.166 4.340 0.004 0.000 0.209 376 L C 2.593 179.392 176.870 -0.119 0.000 1.083 376 L CA 1.324 56.041 54.840 -0.205 0.000 0.752 376 L CB -0.737 41.236 42.059 -0.144 0.000 0.899 376 L HN 0.340 nan 8.230 nan 0.000 0.433 377 R N -0.641 119.791 120.500 -0.113 0.000 2.092 377 R HA -0.091 4.252 4.340 0.004 0.000 0.231 377 R C 2.334 178.610 176.300 -0.040 0.000 1.119 377 R CA 1.685 57.748 56.100 -0.062 0.000 0.970 377 R CB -0.576 29.683 30.300 -0.068 0.000 0.864 377 R HN 0.297 nan 8.270 nan 0.000 0.440 378 T N 0.897 115.417 114.554 -0.056 0.000 2.708 378 T HA -0.129 4.224 4.350 0.004 0.000 0.266 378 T C 1.982 176.656 174.700 -0.043 0.000 1.037 378 T CA 1.462 63.542 62.100 -0.033 0.000 1.146 378 T CB -0.251 68.595 68.868 -0.037 0.000 0.865 378 T HN 0.373 nan 8.240 nan 0.000 0.435 379 A N 1.962 124.712 122.820 -0.117 0.000 1.902 379 A HA -0.149 4.174 4.320 0.004 0.000 0.217 379 A C 2.117 179.724 177.584 0.039 0.000 1.181 379 A CA 1.737 53.672 52.037 -0.170 0.000 0.623 379 A CB -0.664 17.971 19.000 -0.610 0.000 0.818 379 A HN 0.342 nan 8.150 nan 0.000 0.443 380 D N 0.080 120.533 120.400 0.087 0.000 2.144 380 D HA -0.042 4.601 4.640 0.004 0.000 0.199 380 D C 2.229 178.576 176.300 0.078 0.000 0.984 380 D CA 1.484 55.580 54.000 0.160 0.000 0.834 380 D CB -0.424 40.444 40.800 0.114 0.000 0.955 380 D HN 0.423 nan 8.370 nan 0.000 0.465 381 A N 0.881 123.722 122.820 0.035 0.000 1.877 381 A HA -0.188 4.134 4.320 0.004 0.000 0.216 381 A C 2.122 179.722 177.584 0.025 0.000 1.186 381 A CA 1.226 53.272 52.037 0.014 0.000 0.620 381 A CB -0.377 18.629 19.000 0.011 0.000 0.822 381 A HN 0.069 nan 8.150 nan 0.000 0.443 382 Q N -0.545 119.279 119.800 0.040 0.000 2.119 382 Q HA -0.059 4.284 4.340 0.004 0.000 0.201 382 Q C 2.405 178.436 176.000 0.051 0.000 0.972 382 Q CA 1.539 57.369 55.803 0.045 0.000 0.847 382 Q CB -0.718 28.050 28.738 0.051 0.000 0.903 382 Q HN 0.650 nan 8.270 nan 0.000 0.433 383 A N 1.031 123.901 122.820 0.082 0.000 1.933 383 A HA -0.038 4.284 4.320 0.004 0.000 0.218 383 A C 2.265 179.869 177.584 0.034 0.000 1.175 383 A CA 1.645 53.727 52.037 0.076 0.000 0.628 383 A CB -0.535 18.547 19.000 0.137 0.000 0.814 383 A HN 0.341 nan 8.150 nan 0.000 0.444 384 A N -1.218 121.619 122.820 0.029 0.000 2.121 384 A HA -0.098 4.225 4.320 0.004 0.000 0.218 384 A C 1.878 179.458 177.584 -0.006 0.000 1.154 384 A CA 1.286 53.324 52.037 0.001 0.000 0.679 384 A CB -0.246 18.746 19.000 -0.013 0.000 0.795 384 A HN 0.498 nan 8.150 nan 0.000 0.458 385 Q N -1.500 118.302 119.800 0.003 0.000 2.360 385 Q HA 0.170 4.513 4.340 0.004 0.000 0.202 385 Q C 1.176 177.178 176.000 0.003 0.000 0.915 385 Q CA 0.725 56.528 55.803 0.000 0.000 0.943 385 Q CB 0.290 29.033 28.738 0.007 0.000 1.064 385 Q HN 0.940 nan 8.270 nan 0.000 0.511 386 G N 0.765 109.568 108.800 0.005 0.000 2.157 386 G HA2 -0.277 3.686 3.960 0.004 0.000 0.248 386 G HA3 -0.277 3.686 3.960 0.004 0.000 0.248 386 G C 0.335 175.240 174.900 0.007 0.000 0.979 386 G CA 0.183 45.284 45.100 0.002 0.000 0.650 386 G HN 0.566 nan 8.290 nan 0.000 0.529 387 A N 0.031 122.862 122.820 0.017 0.000 2.322 387 A HA 0.578 4.901 4.320 0.004 0.000 0.269 387 A C 0.259 177.856 177.584 0.022 0.000 1.094 387 A CA -0.086 51.967 52.037 0.027 0.000 0.807 387 A CB 0.433 19.459 19.000 0.044 0.000 1.047 387 A HN 0.238 nan 8.150 nan 0.000 0.487 388 D N 0.467 120.886 120.400 0.032 0.000 2.382 388 D HA 0.409 5.051 4.640 0.004 0.000 0.245 388 D C -0.470 175.814 176.300 -0.026 0.000 1.120 388 D CA 0.461 54.450 54.000 -0.019 0.000 0.890 388 D CB 1.245 42.084 40.800 0.064 0.000 1.201 388 D HN 0.127 nan 8.370 nan 0.000 0.433 389 V N 2.770 122.570 119.914 -0.190 0.000 2.638 389 V HA 0.283 4.406 4.120 0.004 0.000 0.306 389 V C -1.102 174.744 176.094 -0.413 0.000 1.052 389 V CA -0.815 61.404 62.300 -0.135 0.000 0.885 389 V CB 1.361 33.195 31.823 0.019 0.000 0.999 389 V HN 0.381 nan 8.190 nan 0.000 0.424 390 Y N 4.318 124.565 120.300 -0.090 0.000 2.331 390 Y HA 0.674 5.226 4.550 0.004 0.000 0.334 390 Y C 0.114 176.150 175.900 0.226 0.000 0.960 390 Y CA -0.422 57.596 58.100 -0.136 0.000 1.130 390 Y CB 2.007 39.951 38.460 -0.860 0.000 1.164 390 Y HN 0.602 nan 8.280 nan 0.000 0.458 391 M N 5.542 125.538 119.600 0.661 0.000 2.436 391 M HA 0.556 5.038 4.480 0.004 0.000 0.331 391 M C -1.636 175.093 176.300 0.715 0.000 1.135 391 M CA -0.752 54.850 55.300 0.504 0.000 0.987 391 M CB 1.556 34.285 32.600 0.215 0.000 1.687 391 M HN 0.714 nan 8.290 nan 0.000 0.445 392 Y N 1.093 121.678 120.300 0.476 0.000 2.609 392 Y HA 0.753 5.306 4.550 0.004 0.000 0.342 392 Y C -1.721 174.404 175.900 0.376 0.000 1.058 392 Y CA -1.299 57.009 58.100 0.347 0.000 1.055 392 Y CB 1.285 40.051 38.460 0.509 0.000 1.292 392 Y HN 0.738 nan 8.280 nan 0.000 0.476 393 R N 2.509 123.270 120.500 0.435 0.000 2.561 393 R HA 0.490 4.832 4.340 0.004 0.000 0.297 393 R C -2.268 174.378 176.300 0.576 0.000 0.969 393 R CA -0.849 55.500 56.100 0.415 0.000 0.879 393 R CB 1.259 31.699 30.300 0.234 0.000 1.178 393 R HN 0.810 nan 8.270 nan 0.000 0.445 394 F N 4.466 124.705 119.950 0.483 0.000 2.350 394 F HA 0.283 4.812 4.527 0.005 0.000 0.365 394 F C -0.111 175.827 175.800 0.230 0.000 1.122 394 F CA -0.380 57.859 58.000 0.398 0.000 1.139 394 F CB 1.187 40.428 39.000 0.402 0.000 1.220 394 F HN 0.629 nan 8.300 nan 0.000 0.499 395 D N 3.895 124.148 120.400 -0.244 0.000 2.407 395 D HA -0.027 4.615 4.640 0.004 0.000 0.208 395 D C -0.416 175.690 176.300 -0.324 0.000 1.083 395 D CA 0.380 54.270 54.000 -0.183 0.000 0.844 395 D CB -0.167 40.575 40.800 -0.097 0.000 0.967 395 D HN 0.428 nan 8.370 nan 0.000 0.506 396 Y N 2.759 122.528 120.300 -0.885 0.000 2.632 396 Y HA 0.005 4.558 4.550 0.004 0.000 0.329 396 Y C 0.609 176.307 175.900 -0.337 0.000 1.174 396 Y CA -0.528 57.178 58.100 -0.658 0.000 1.469 396 Y CB 0.294 38.206 38.460 -0.914 0.000 1.242 396 Y HN -0.137 nan 8.280 nan 0.000 0.540 397 E N 4.686 124.464 120.200 -0.704 0.000 2.290 397 E HA 0.285 4.638 4.350 0.004 0.000 0.277 397 E C -1.071 175.221 176.600 -0.512 0.000 1.035 397 E CA -0.154 55.991 56.400 -0.426 0.000 0.873 397 E CB 0.692 30.221 29.700 -0.285 0.000 1.029 397 E HN 0.693 nan 8.360 nan 0.000 0.419 398 T N 4.567 119.052 114.554 -0.114 0.000 3.012 398 T HA 0.376 4.728 4.350 0.004 0.000 0.330 398 T C -2.800 171.968 174.700 0.114 0.000 1.321 398 T CA -1.459 60.685 62.100 0.074 0.000 1.067 398 T CB 1.483 70.586 68.868 0.392 0.000 1.235 398 T HN 0.417 nan 8.240 nan 0.000 0.479 399 P HA 0.364 nan 4.420 nan 0.000 0.275 399 P C 0.269 177.604 177.300 0.059 0.000 1.227 399 P CA -0.333 62.836 63.100 0.115 0.000 0.781 399 P CB 0.548 32.386 31.700 0.231 0.000 0.906 409 H N -0.911 118.078 119.070 -0.136 0.000 3.033 409 H HA -0.122 4.437 4.556 0.004 0.000 0.261 409 H C 0.604 175.921 175.328 -0.019 0.000 1.269 409 H CA 0.332 56.323 56.048 -0.095 0.000 1.111 409 H CB -1.541 28.136 29.762 -0.143 0.000 1.266 409 H HN 0.707 nan 8.280 nan 0.000 0.365 410 A N 1.244 124.130 122.820 0.111 0.000 2.462 410 A HA 0.402 4.724 4.320 0.004 0.000 0.243 410 A C 1.186 178.798 177.584 0.048 0.000 1.076 410 A CA 0.056 52.138 52.037 0.076 0.000 0.773 410 A CB 0.377 19.441 19.000 0.108 0.000 1.010 410 A HN 0.414 nan 8.150 nan 0.000 0.493 411 L N 0.998 122.244 121.223 0.039 0.000 2.766 411 L HA 0.111 4.454 4.340 0.004 0.000 0.242 411 L C 1.405 178.145 176.870 -0.217 0.000 1.136 411 L CA 0.223 55.081 54.840 0.030 0.000 0.933 411 L CB 0.018 42.251 42.059 0.289 0.000 1.241 411 L HN 0.790 nan 8.230 nan 0.000 0.522 412 E N 0.551 120.485 120.200 -0.443 0.000 2.274 412 E HA -0.183 4.169 4.350 0.004 0.000 0.194 412 E C 1.925 178.378 176.600 -0.245 0.000 0.996 412 E CA 0.622 56.612 56.400 -0.683 0.000 0.840 412 E CB 0.003 29.421 29.700 -0.471 0.000 0.772 412 E HN 0.243 nan 8.360 nan 0.000 0.491 413 L N 1.456 122.595 121.223 -0.140 0.000 1.990 413 L HA -0.136 4.206 4.340 0.004 0.000 0.213 413 L C -0.917 175.830 176.870 -0.205 0.000 1.072 413 L CA 2.007 56.791 54.840 -0.095 0.000 0.755 413 L CB -0.868 41.139 42.059 -0.085 0.000 0.889 413 L HN 0.117 nan 8.230 nan 0.000 0.432 414 P HA -0.139 nan 4.420 nan 0.000 0.221 414 P C 1.475 178.406 177.300 -0.615 0.000 1.150 414 P CA 1.567 64.329 63.100 -0.564 0.000 0.800 414 P CB -0.182 31.054 31.700 -0.774 0.000 0.787 415 F N -0.647 119.110 119.950 -0.322 0.000 2.187 415 F HA -0.082 4.448 4.527 0.005 0.000 0.295 415 F C 2.510 178.034 175.800 -0.460 0.000 1.091 415 F CA 0.726 58.489 58.000 -0.395 0.000 1.308 415 F CB -1.564 37.234 39.000 -0.337 0.000 1.030 415 F HN -0.313 nan 8.300 nan 0.000 0.487 416 V N -0.497 119.220 119.914 -0.328 0.000 2.343 416 V HA -0.296 3.826 4.120 0.004 0.000 0.247 416 V C 1.974 177.848 176.094 -0.366 0.000 1.051 416 V CA 1.812 63.806 62.300 -0.510 0.000 1.036 416 V CB -0.658 30.791 31.823 -0.623 0.000 0.654 416 V HN 0.219 nan 8.190 nan 0.000 0.451 417 F N -1.386 118.279 119.950 -0.475 0.000 2.710 417 F HA 0.190 4.720 4.527 0.005 0.000 0.298 417 F C 1.425 176.803 175.800 -0.704 0.000 1.137 417 F CA 0.628 58.204 58.000 -0.707 0.000 1.444 417 F CB -0.281 38.441 39.000 -0.463 0.000 1.111 417 F HN 0.228 nan 8.300 nan 0.000 0.580 418 H N 1.099 119.817 119.070 -0.586 0.000 2.677 418 H HA -0.191 4.367 4.556 0.004 0.000 0.321 418 H C -0.353 174.812 175.328 -0.272 0.000 1.171 418 H CA 0.320 56.016 56.048 -0.588 0.000 1.139 418 H CB -1.554 27.529 29.762 -1.131 0.000 1.515 418 H HN 0.197 nan 8.280 nan 0.000 0.423 419 N N 1.273 119.888 118.700 -0.140 0.000 2.610 419 N HA 0.157 4.900 4.740 0.004 0.000 0.309 419 N C 1.599 176.929 175.510 -0.300 0.000 1.536 419 N CA -0.267 52.643 53.050 -0.233 0.000 0.954 419 N CB 0.156 38.449 38.487 -0.324 0.000 1.310 419 N HN 0.432 nan 8.380 nan 0.000 0.502 420 L N 0.134 121.294 121.223 -0.106 0.000 2.376 420 L HA -0.053 4.290 4.340 0.004 0.000 0.219 420 L C 1.872 178.673 176.870 -0.116 0.000 1.133 420 L CA 0.852 55.568 54.840 -0.207 0.000 0.816 420 L CB -0.176 41.779 42.059 -0.174 0.000 0.933 420 L HN 0.379 nan 8.230 nan 0.000 0.449 421 H N -2.194 116.784 119.070 -0.153 0.000 2.575 421 H HA 0.210 4.769 4.556 0.005 0.000 0.267 421 H C 0.391 175.658 175.328 -0.102 0.000 0.966 421 H CA -0.394 55.589 56.048 -0.109 0.000 1.165 421 H CB -0.040 29.677 29.762 -0.074 0.000 1.433 421 H HN 0.269 nan 8.280 nan 0.000 0.544 422 Q N 2.244 121.784 119.800 -0.434 0.000 2.312 422 Q HA 0.310 4.653 4.340 0.004 0.000 0.236 422 Q C -2.360 173.547 176.000 -0.154 0.000 0.965 422 Q CA -1.977 53.634 55.803 -0.320 0.000 0.894 422 Q CB 0.853 29.388 28.738 -0.338 0.000 1.225 422 Q HN 0.253 nan 8.270 nan 0.000 0.478 423 P HA 0.116 nan 4.420 nan 0.000 0.275 423 P C 0.607 177.984 177.300 0.129 0.000 1.228 423 P CA 0.501 63.586 63.100 -0.025 0.000 0.786 423 P CB 0.550 32.221 31.700 -0.048 0.000 0.927 424 G N 0.802 109.686 108.800 0.140 0.000 2.253 424 G HA2 -0.228 3.735 3.960 0.004 0.000 0.251 424 G HA3 -0.228 3.735 3.960 0.004 0.000 0.251 424 G C 0.059 174.956 174.900 -0.004 0.000 0.998 424 G CA 0.011 45.365 45.100 0.423 0.000 0.621 424 G HN 0.558 nan 8.290 nan 0.000 0.524 425 V N 1.834 121.607 119.914 -0.235 0.000 2.530 425 V HA 0.577 4.699 4.120 0.004 0.000 0.282 425 V C 1.277 177.077 176.094 -0.489 0.000 1.048 425 V CA 0.238 62.219 62.300 -0.530 0.000 0.997 425 V CB 1.447 32.982 31.823 -0.479 0.000 0.987 425 V HN 1.162 nan 8.190 nan 0.000 0.477 426 A N 4.821 127.301 122.820 -0.567 0.000 3.076 426 A HA 0.051 4.374 4.320 0.004 0.000 0.269 426 A C 0.830 177.855 177.584 -0.932 0.000 1.916 426 A CA 0.127 51.670 52.037 -0.823 0.000 1.492 426 A CB -1.067 17.595 19.000 -0.564 0.000 1.000 426 A HN 0.901 nan 8.150 nan 0.000 0.615 427 N N 1.939 120.183 118.700 -0.760 0.000 2.448 427 N HA 0.316 5.059 4.740 0.004 0.000 0.250 427 N C -1.097 174.134 175.510 -0.465 0.000 1.136 427 N CA 0.001 52.762 53.050 -0.483 0.000 0.953 427 N CB 0.078 38.401 38.487 -0.275 0.000 1.251 427 N HN 0.421 nan 8.380 nan 0.000 0.502 428 F N 1.661 121.599 119.950 -0.021 0.000 2.556 428 F HA 0.345 4.875 4.527 0.004 0.000 0.327 428 F C 0.720 176.524 175.800 0.007 0.000 1.059 428 F CA -1.318 56.677 58.000 -0.008 0.000 0.953 428 F CB 1.242 40.238 39.000 -0.007 0.000 1.227 428 F HN -0.022 nan 8.300 nan 0.000 0.478 429 V N 1.795 121.844 119.914 0.225 0.000 3.139 429 V HA 0.532 4.655 4.120 0.004 0.000 0.307 429 V C 0.306 176.469 176.094 0.114 0.000 1.095 429 V CA 0.990 63.364 62.300 0.123 0.000 1.160 429 V CB 0.640 32.513 31.823 0.083 0.000 1.003 429 V HN 1.074 nan 8.190 nan 0.000 0.489 430 G N 4.376 113.228 108.800 0.087 0.000 2.663 430 G HA2 -0.099 3.864 3.960 0.004 0.000 0.686 430 G HA3 -0.099 3.864 3.960 0.004 0.000 0.686 430 G C -0.110 174.850 174.900 0.100 0.000 1.246 430 G CA -0.227 44.923 45.100 0.083 0.000 0.795 430 G HN 1.677 nan 8.290 nan 0.000 0.627 431 N N -1.211 117.548 118.700 0.098 0.000 2.800 431 N HA -0.234 4.509 4.740 0.004 0.000 0.250 431 N C 1.638 177.221 175.510 0.122 0.000 1.078 431 N CA 1.645 54.775 53.050 0.132 0.000 0.804 431 N CB -0.636 37.970 38.487 0.198 0.000 1.135 431 N HN 0.948 nan 8.380 nan 0.000 0.565 432 R N 1.528 122.080 120.500 0.086 0.000 2.073 432 R HA -0.061 4.282 4.340 0.004 0.000 0.234 432 R C -0.776 175.561 176.300 0.062 0.000 1.134 432 R CA 1.861 58.004 56.100 0.071 0.000 0.952 432 R CB -0.477 29.853 30.300 0.050 0.000 0.850 432 R HN 0.192 nan 8.270 nan 0.000 0.433 433 P HA -0.159 nan 4.420 nan 0.000 0.217 433 P C 0.747 178.068 177.300 0.034 0.000 1.150 433 P CA 1.360 64.485 63.100 0.041 0.000 0.832 433 P CB -0.056 31.665 31.700 0.036 0.000 0.787 434 E N 0.256 120.484 120.200 0.047 0.000 2.051 434 E HA -0.178 4.175 4.350 0.004 0.000 0.192 434 E C 2.251 178.813 176.600 -0.064 0.000 0.991 434 E CA 1.042 57.450 56.400 0.013 0.000 0.799 434 E CB -0.133 29.627 29.700 0.100 0.000 0.748 434 E HN 0.066 nan 8.360 nan 0.000 0.449 435 R N 0.242 120.768 120.500 0.044 0.000 2.092 435 R HA -0.104 4.239 4.340 0.004 0.000 0.231 435 R C 2.331 178.676 176.300 0.075 0.000 1.119 435 R CA 1.537 57.708 56.100 0.118 0.000 0.970 435 R CB -0.106 30.347 30.300 0.255 0.000 0.864 435 R HN 0.278 nan 8.270 nan 0.000 0.440 436 E N 0.442 120.661 120.200 0.031 0.000 2.077 436 E HA -0.180 4.173 4.350 0.004 0.000 0.193 436 E C 2.046 178.651 176.600 0.009 0.000 0.989 436 E CA 1.182 57.590 56.400 0.014 0.000 0.800 436 E CB -0.100 29.630 29.700 0.051 0.000 0.746 436 E HN 0.365 nan 8.360 nan 0.000 0.452 437 A N 0.999 123.820 122.820 0.001 0.000 1.902 437 A HA -0.159 4.164 4.320 0.004 0.000 0.217 437 A C 2.144 179.722 177.584 -0.009 0.000 1.181 437 A CA 1.124 53.167 52.037 0.010 0.000 0.623 437 A CB -0.472 18.527 19.000 -0.001 0.000 0.818 437 A HN 0.120 nan 8.150 nan 0.000 0.443 438 I N -0.188 120.312 120.570 -0.117 0.000 2.439 438 I HA -0.177 3.996 4.170 0.004 0.000 0.251 438 I C 2.849 178.920 176.117 -0.077 0.000 1.139 438 I CA 0.925 62.124 61.300 -0.169 0.000 1.438 438 I CB -0.224 37.442 38.000 -0.557 0.000 1.085 438 I HN 0.308 nan 8.210 nan 0.000 0.427 439 A N 0.868 123.680 122.820 -0.014 0.000 1.902 439 A HA -0.253 4.069 4.320 0.004 0.000 0.217 439 A C 2.073 179.616 177.584 -0.068 0.000 1.181 439 A CA 2.252 54.193 52.037 -0.159 0.000 0.623 439 A CB -1.063 17.563 19.000 -0.624 0.000 0.818 439 A HN 0.521 nan 8.150 nan 0.000 0.443 440 N N -0.683 118.069 118.700 0.086 0.000 2.244 440 N HA -0.137 4.605 4.740 0.004 0.000 0.183 440 N C 1.705 177.454 175.510 0.397 0.000 1.016 440 N CA 1.199 54.464 53.050 0.359 0.000 0.866 440 N CB -0.124 38.522 38.487 0.265 0.000 0.980 440 N HN 0.643 nan 8.380 nan 0.000 0.430 441 E N 0.610 120.973 120.200 0.271 0.000 2.047 441 E HA -0.111 4.241 4.350 0.004 0.000 0.191 441 E C 1.901 178.705 176.600 0.340 0.000 0.987 441 E CA 1.028 57.655 56.400 0.378 0.000 0.799 441 E CB 0.036 29.978 29.700 0.404 0.000 0.752 441 E HN 0.390 nan 8.360 nan 0.000 0.449 442 M N -0.229 119.375 119.600 0.005 0.000 2.160 442 M HA -0.099 4.384 4.480 0.004 0.000 0.264 442 M C 2.457 178.719 176.300 -0.063 0.000 1.073 442 M CA 1.072 56.204 55.300 -0.280 0.000 1.142 442 M CB -0.456 31.658 32.600 -0.811 0.000 1.358 442 M HN 0.229 nan 8.290 nan 0.000 0.422 443 H N -0.134 118.827 119.070 -0.180 0.000 2.319 443 H HA -0.201 4.357 4.556 0.004 0.000 0.299 443 H C 1.671 176.937 175.328 -0.103 0.000 1.092 443 H CA 2.093 58.013 56.048 -0.213 0.000 1.302 443 H CB 0.066 29.640 29.762 -0.313 0.000 1.373 443 H HN 0.348 nan 8.280 nan 0.000 0.497 444 Y N -0.050 120.278 120.300 0.048 0.000 2.395 444 Y HA 0.020 4.573 4.550 0.005 0.000 0.293 444 Y C 2.745 178.465 175.900 -0.300 0.000 1.123 444 Y CA 0.705 58.678 58.100 -0.211 0.000 1.227 444 Y CB -0.165 38.087 38.460 -0.346 0.000 1.012 444 Y HN 0.290 nan 8.280 nan 0.000 0.552 445 A N -0.245 122.691 122.820 0.195 0.000 1.898 445 A HA -0.174 4.149 4.320 0.004 0.000 0.216 445 A C 2.071 179.867 177.584 0.353 0.000 1.181 445 A CA 1.086 53.381 52.037 0.431 0.000 0.620 445 A CB -1.087 18.371 19.000 0.763 0.000 0.819 445 A HN 0.667 nan 8.150 nan 0.000 0.442 446 W N -0.173 121.140 121.300 0.022 0.000 2.381 446 W HA -0.108 4.555 4.660 0.004 0.000 0.301 446 W C 1.983 178.434 176.519 -0.114 0.000 1.205 446 W CA 0.850 58.179 57.345 -0.027 0.000 1.285 446 W CB -0.261 29.188 29.460 -0.019 0.000 1.133 446 W HN 0.289 nan 8.180 nan 0.000 0.521 447 L N -0.232 121.037 121.223 0.075 0.000 2.046 447 L HA -0.250 4.093 4.340 0.004 0.000 0.208 447 L C 2.711 179.554 176.870 -0.045 0.000 1.077 447 L CA 1.454 56.250 54.840 -0.074 0.000 0.747 447 L CB -0.986 41.004 42.059 -0.115 0.000 0.896 447 L HN -0.135 nan 8.230 nan 0.000 0.432 448 S N -0.581 115.116 115.700 -0.004 0.000 2.383 448 S HA -0.208 4.264 4.470 0.004 0.000 0.227 448 S C 1.950 176.528 174.600 -0.037 0.000 1.026 448 S CA 1.047 59.246 58.200 -0.002 0.000 0.981 448 S CB -0.306 62.929 63.200 0.057 0.000 0.818 448 S HN 0.390 nan 8.310 nan 0.000 0.472 449 F N 2.316 122.154 119.950 -0.186 0.000 2.113 449 F HA 0.080 4.609 4.527 0.004 0.000 0.297 449 F C 2.316 177.995 175.800 -0.202 0.000 1.103 449 F CA 1.228 59.072 58.000 -0.260 0.000 1.248 449 F CB -0.893 37.875 39.000 -0.387 0.000 0.999 449 F HN 0.256 nan 8.300 nan 0.000 0.475 450 A N 0.328 123.051 122.820 -0.163 0.000 1.933 450 A HA -0.205 4.118 4.320 0.004 0.000 0.218 450 A C 2.378 179.827 177.584 -0.225 0.000 1.175 450 A CA 1.767 53.660 52.037 -0.240 0.000 0.628 450 A CB -0.808 18.050 19.000 -0.236 0.000 0.814 450 A HN 0.481 nan 8.150 nan 0.000 0.444 451 R N -0.907 119.492 120.500 -0.168 0.000 2.075 451 R HA -0.084 4.259 4.340 0.004 0.000 0.226 451 R C 1.877 178.092 176.300 -0.142 0.000 1.114 451 R CA 2.008 58.036 56.100 -0.119 0.000 0.972 451 R CB -0.051 30.209 30.300 -0.067 0.000 0.869 451 R HN 0.633 nan 8.270 nan 0.000 0.437 452 T N -5.889 108.553 114.554 -0.187 0.000 2.993 452 T HA 0.248 4.601 4.350 0.004 0.000 0.260 452 T C 0.986 175.542 174.700 -0.240 0.000 0.939 452 T CA 0.448 62.450 62.100 -0.163 0.000 0.886 452 T CB 1.167 69.980 68.868 -0.093 0.000 1.209 452 T HN 0.326 nan 8.240 nan 0.000 0.518 453 G N 1.323 109.853 108.800 -0.451 0.000 2.141 453 G HA2 -0.127 3.836 3.960 0.004 0.000 0.242 453 G HA3 -0.127 3.836 3.960 0.004 0.000 0.242 453 G C -0.415 174.348 174.900 -0.229 0.000 0.982 453 G CA 0.156 44.890 45.100 -0.611 0.000 0.662 453 G HN 0.848 nan 8.290 nan 0.000 0.527 454 D N -0.640 119.649 120.400 -0.185 0.000 2.936 454 D HA 0.483 5.125 4.640 0.004 0.000 0.238 454 D C -1.750 174.399 176.300 -0.251 0.000 1.248 454 D CA -1.696 52.159 54.000 -0.242 0.000 0.903 454 D CB 2.228 42.961 40.800 -0.112 0.000 1.544 454 D HN -0.021 nan 8.370 nan 0.000 0.543 455 P HA 0.031 nan 4.420 nan 0.000 0.245 455 P C 0.051 177.370 177.300 0.032 0.000 1.212 455 P CA -0.077 62.874 63.100 -0.249 0.000 0.774 455 P CB 0.421 31.727 31.700 -0.658 0.000 0.999 456 N N 0.587 119.245 118.700 -0.069 0.000 2.467 456 N HA 0.384 5.126 4.740 0.004 0.000 0.262 456 N C 0.934 176.495 175.510 0.084 0.000 1.234 456 N CA 0.992 54.043 53.050 0.001 0.000 0.952 456 N CB 0.932 39.418 38.487 -0.002 0.000 1.158 456 N HN 0.119 nan 8.380 nan 0.000 0.463 457 G N -1.314 107.420 108.800 -0.110 0.000 2.359 457 G HA2 0.250 4.212 3.960 0.004 0.000 0.293 457 G HA3 0.250 4.212 3.960 0.004 0.000 0.293 457 G C -0.178 174.581 174.900 -0.235 0.000 1.300 457 G CA -0.039 45.035 45.100 -0.044 0.000 0.888 457 G HN 0.506 nan 8.290 nan 0.000 0.541 458 A N -0.353 122.458 122.820 -0.014 0.000 2.209 458 A HA 0.136 4.459 4.320 0.004 0.000 0.212 458 A C 1.706 179.280 177.584 -0.017 0.000 1.158 458 A CA 1.855 53.882 52.037 -0.017 0.000 0.742 458 A CB -0.882 18.135 19.000 0.029 0.000 0.790 458 A HN 1.131 nan 8.150 nan 0.000 0.472 459 H N -0.930 118.168 119.070 0.046 0.000 2.559 459 H HA 0.199 4.758 4.556 0.005 0.000 0.273 459 H C 0.208 175.618 175.328 0.138 0.000 1.000 459 H CA 0.220 56.307 56.048 0.065 0.000 1.195 459 H CB -0.536 29.283 29.762 0.095 0.000 1.368 459 H HN 0.364 nan 8.280 nan 0.000 0.592 460 L N 2.653 123.736 121.223 -0.235 0.000 2.317 460 L HA 0.229 4.572 4.340 0.004 0.000 0.281 460 L C -1.213 175.704 176.870 0.077 0.000 1.024 460 L CA -2.142 52.685 54.840 -0.021 0.000 0.810 460 L CB 2.028 43.997 42.059 -0.150 0.000 1.240 460 L HN -0.074 nan 8.230 nan 0.000 0.427 461 P HA -0.078 nan 4.420 nan 0.000 0.226 461 P C -0.278 177.102 177.300 0.132 0.000 1.153 461 P CA 0.952 64.132 63.100 0.133 0.000 0.777 461 P CB 0.342 32.119 31.700 0.128 0.000 0.794 462 E N -1.806 118.518 120.200 0.207 0.000 2.437 462 E HA 0.601 4.954 4.350 0.004 0.000 0.280 462 E C -1.356 175.392 176.600 0.247 0.000 1.044 462 E CA -1.246 55.265 56.400 0.185 0.000 0.826 462 E CB 0.839 30.631 29.700 0.154 0.000 1.358 462 E HN -0.131 nan 8.360 nan 0.000 0.459 463 A N 0.760 123.701 122.820 0.202 0.000 2.425 463 A HA 0.250 4.573 4.320 0.004 0.000 0.242 463 A C -1.023 176.788 177.584 0.378 0.000 1.077 463 A CA -0.234 51.938 52.037 0.224 0.000 0.781 463 A CB 0.023 19.127 19.000 0.173 0.000 1.020 463 A HN 0.575 nan 8.150 nan 0.000 0.494 464 W N 4.618 125.989 121.300 0.117 0.000 2.288 464 W HA 0.531 5.194 4.660 0.004 0.000 0.325 464 W C -2.753 173.929 176.519 0.272 0.000 1.019 464 W CA -3.229 54.230 57.345 0.190 0.000 1.403 464 W CB 0.521 29.925 29.460 -0.094 0.000 1.226 464 W HN 0.407 nan 8.180 nan 0.000 0.391 465 P HA 0.253 nan 4.420 nan 0.000 0.275 465 P C -0.360 177.141 177.300 0.335 0.000 1.228 465 P CA -0.147 63.180 63.100 0.378 0.000 0.786 465 P CB 0.769 32.626 31.700 0.262 0.000 0.927 466 A N 2.773 125.625 122.820 0.055 0.000 2.498 466 A HA 0.061 4.384 4.320 0.004 0.000 0.239 466 A C -0.398 177.158 177.584 -0.046 0.000 1.068 466 A CA -0.088 51.738 52.037 -0.352 0.000 0.766 466 A CB -0.643 18.085 19.000 -0.452 0.000 1.003 466 A HN 0.590 nan 8.150 nan 0.000 0.497 467 Y N 2.760 122.975 120.300 -0.142 0.000 2.605 467 Y HA 0.369 4.921 4.550 0.005 0.000 0.336 467 Y C 0.934 176.808 175.900 -0.042 0.000 1.111 467 Y CA 1.117 59.208 58.100 -0.015 0.000 1.422 467 Y CB 0.306 38.779 38.460 0.023 0.000 1.193 467 Y HN 0.815 nan 8.280 nan 0.000 0.526 468 T N 1.745 116.058 114.554 -0.401 0.000 2.916 468 T HA 0.208 4.560 4.350 0.004 0.000 0.292 468 T C 0.820 175.255 174.700 -0.441 0.000 1.055 468 T CA -0.862 61.056 62.100 -0.305 0.000 1.009 468 T CB 1.518 70.295 68.868 -0.151 0.000 1.118 468 T HN 0.796 nan 8.240 nan 0.000 0.497 469 N N 0.490 119.035 118.700 -0.257 0.000 2.205 469 N HA -0.195 4.548 4.740 0.004 0.000 0.186 469 N C 1.423 176.832 175.510 -0.168 0.000 1.015 469 N CA 1.690 54.618 53.050 -0.204 0.000 0.862 469 N CB 0.015 38.450 38.487 -0.086 0.000 0.986 469 N HN 0.800 nan 8.380 nan 0.000 0.429 470 E N 0.145 120.262 120.200 -0.139 0.000 2.058 470 E HA -0.182 4.171 4.350 0.004 0.000 0.194 470 E C 1.876 178.422 176.600 -0.089 0.000 0.997 470 E CA 0.922 57.268 56.400 -0.090 0.000 0.801 470 E CB -0.094 29.565 29.700 -0.069 0.000 0.746 470 E HN 0.309 nan 8.360 nan 0.000 0.450 471 R N -0.262 120.163 120.500 -0.124 0.000 2.412 471 R HA 0.116 4.458 4.340 0.004 0.000 0.212 471 R C -0.107 176.138 176.300 -0.092 0.000 0.878 471 R CA 0.021 56.076 56.100 -0.076 0.000 1.022 471 R CB 0.643 30.921 30.300 -0.038 0.000 1.265 471 R HN -0.090 nan 8.270 nan 0.000 0.620 472 K N 0.497 120.746 120.400 -0.251 0.000 3.148 472 K HA -0.177 4.146 4.320 0.004 0.000 0.267 472 K C -0.596 176.072 176.600 0.113 0.000 0.996 472 K CA 0.410 56.536 56.287 -0.268 0.000 0.737 472 K CB -1.453 31.014 32.500 -0.055 0.000 1.308 472 K HN 0.295 nan 8.250 nan 0.000 0.470 473 A N 0.650 123.543 122.820 0.122 0.000 2.445 473 A HA 0.596 4.918 4.320 0.004 0.000 0.242 473 A C 0.458 178.263 177.584 0.369 0.000 1.075 473 A CA 0.477 52.645 52.037 0.218 0.000 0.777 473 A CB 0.579 19.703 19.000 0.208 0.000 1.013 473 A HN 0.570 nan 8.150 nan 0.000 0.493 474 A N 1.223 124.199 122.820 0.260 0.000 2.475 474 A HA 0.670 4.993 4.320 0.004 0.000 0.301 474 A C -0.991 176.593 177.584 0.000 0.000 1.059 474 A CA -0.455 51.735 52.037 0.256 0.000 0.710 474 A CB 0.848 19.994 19.000 0.244 0.000 1.288 474 A HN 1.002 nan 8.150 nan 0.000 0.408 475 F N 2.034 121.733 119.950 -0.418 0.000 2.394 475 F HA 0.551 5.081 4.527 0.004 0.000 0.340 475 F C -0.150 175.228 175.800 -0.703 0.000 1.105 475 F CA -0.094 57.377 58.000 -0.882 0.000 1.124 475 F CB 1.554 39.361 39.000 -1.989 0.000 1.145 475 F HN 0.303 nan 8.300 nan 0.000 0.505 476 V N 7.258 126.537 119.914 -1.059 0.000 2.328 476 V HA 0.237 4.360 4.120 0.004 0.000 0.278 476 V C -0.475 175.191 176.094 -0.713 0.000 1.021 476 V CA -0.719 61.147 62.300 -0.723 0.000 0.838 476 V CB 0.658 31.989 31.823 -0.820 0.000 0.999 476 V HN 0.518 nan 8.190 nan 0.000 0.447 477 F N 4.373 124.261 119.950 -0.103 0.000 2.424 477 F HA 0.589 5.119 4.527 0.005 0.000 0.356 477 F C 0.886 176.559 175.800 -0.212 0.000 1.110 477 F CA 0.273 58.245 58.000 -0.047 0.000 1.161 477 F CB 1.353 40.450 39.000 0.161 0.000 1.115 477 F HN 0.657 nan 8.300 nan 0.000 0.507 478 S N 1.719 117.407 115.700 -0.019 0.000 2.757 478 S HA 0.642 5.114 4.470 0.004 0.000 0.285 478 S C 0.485 175.074 174.600 -0.019 0.000 1.196 478 S CA -0.382 57.790 58.200 -0.046 0.000 0.856 478 S CB 0.928 64.114 63.200 -0.025 0.000 1.212 478 S HN 0.591 nan 8.310 nan 0.000 0.516 479 A N 0.157 123.016 122.820 0.064 0.000 2.076 479 A HA 0.453 4.776 4.320 0.004 0.000 0.220 479 A C 1.274 178.870 177.584 0.020 0.000 1.160 479 A CA 1.540 53.608 52.037 0.052 0.000 0.653 479 A CB -1.043 18.022 19.000 0.109 0.000 0.801 479 A HN 1.889 nan 8.150 nan 0.000 0.455 480 A N -0.235 122.598 122.820 0.022 0.000 3.127 480 A HA 0.576 4.899 4.320 0.004 0.000 0.319 480 A C 0.087 177.699 177.584 0.047 0.000 1.104 480 A CA -0.295 51.754 52.037 0.020 0.000 0.802 480 A CB 0.070 19.065 19.000 -0.008 0.000 1.193 480 A HN 0.133 nan 8.150 nan 0.000 0.479 481 S N 3.024 118.722 115.700 -0.004 0.000 2.558 481 S HA 0.438 4.911 4.470 0.004 0.000 0.288 481 S C 0.155 174.568 174.600 -0.311 0.000 1.318 481 S CA 0.323 58.404 58.200 -0.197 0.000 1.056 481 S CB 0.044 63.207 63.200 -0.060 0.000 0.853 481 S HN 0.942 nan 8.310 nan 0.000 0.505 482 H N -1.721 116.845 119.070 -0.839 0.000 2.917 482 H HA 0.454 5.013 4.556 0.005 0.000 0.299 482 H C -1.851 172.983 175.328 -0.824 0.000 1.418 482 H CA -0.912 54.725 56.048 -0.686 0.000 1.138 482 H CB 0.101 29.659 29.762 -0.340 0.000 1.830 482 H HN 0.354 nan 8.280 nan 0.000 0.514 483 V N 1.281 120.964 119.914 -0.386 0.000 2.481 483 V HA 0.301 4.424 4.120 0.004 0.000 0.286 483 V C 0.158 176.198 176.094 -0.091 0.000 1.042 483 V CA -0.451 61.694 62.300 -0.259 0.000 0.928 483 V CB 1.321 33.137 31.823 -0.012 0.000 0.986 483 V HN 0.646 nan 8.190 nan 0.000 0.462 484 E N 2.220 122.346 120.200 -0.122 0.000 2.238 484 E HA 0.417 4.770 4.350 0.004 0.000 0.267 484 E C -1.613 174.987 176.600 -0.000 0.000 0.887 484 E CA -0.903 55.471 56.400 -0.043 0.000 0.769 484 E CB 2.123 31.765 29.700 -0.096 0.000 1.187 484 E HN 0.599 nan 8.360 nan 0.000 0.416 485 D N 2.080 122.489 120.400 0.015 0.000 2.274 485 D HA 0.078 4.721 4.640 0.004 0.000 0.239 485 D C -0.289 176.031 176.300 0.034 0.000 1.104 485 D CA -0.105 53.916 54.000 0.035 0.000 0.840 485 D CB 0.872 41.688 40.800 0.027 0.000 1.100 485 D HN 0.439 nan 8.370 nan 0.000 0.477 486 D N 2.369 122.815 120.400 0.078 0.000 2.740 486 D HA -0.151 4.491 4.640 0.004 0.000 0.231 486 D C -1.317 175.013 176.300 0.049 0.000 1.194 486 D CA -0.016 54.051 54.000 0.112 0.000 0.673 486 D CB -0.010 40.840 40.800 0.083 0.000 0.995 486 D HN 0.276 nan 8.370 nan 0.000 0.411 487 P HA -0.130 nan 4.420 nan 0.000 0.222 487 P C 1.346 178.469 177.300 -0.294 0.000 1.147 487 P CA 0.873 63.817 63.100 -0.259 0.000 0.790 487 P CB -0.166 31.241 31.700 -0.490 0.000 0.780 488 F N -0.614 119.393 119.950 0.095 0.000 2.727 488 F HA 0.304 4.833 4.527 0.005 0.000 0.302 488 F C 2.418 178.259 175.800 0.068 0.000 1.097 488 F CA 0.140 58.200 58.000 0.101 0.000 1.330 488 F CB -0.649 38.430 39.000 0.131 0.000 1.084 488 F HN -0.081 nan 8.300 nan 0.000 0.578 489 G N 0.427 109.332 108.800 0.174 0.000 2.418 489 G HA2 -0.195 3.768 3.960 0.004 0.000 0.217 489 G HA3 -0.195 3.768 3.960 0.004 0.000 0.217 489 G C 1.884 176.800 174.900 0.027 0.000 1.158 489 G CA 0.351 45.518 45.100 0.112 0.000 0.771 489 G HN 0.198 nan 8.290 nan 0.000 0.545 490 R N 0.076 120.566 120.500 -0.018 0.000 2.073 490 R HA -0.061 4.282 4.340 0.004 0.000 0.234 490 R C 2.509 178.601 176.300 -0.348 0.000 1.134 490 R CA 1.573 57.611 56.100 -0.102 0.000 0.952 490 R CB -0.337 29.952 30.300 -0.017 0.000 0.850 490 R HN 0.538 nan 8.270 nan 0.000 0.433 491 E N 0.527 120.441 120.200 -0.477 0.000 2.038 491 E HA -0.249 4.104 4.350 0.004 0.000 0.195 491 E C 2.148 178.540 176.600 -0.345 0.000 1.000 491 E CA 1.208 57.130 56.400 -0.796 0.000 0.803 491 E CB -0.044 29.408 29.700 -0.414 0.000 0.750 491 E HN 0.145 nan 8.360 nan 0.000 0.448 492 R N 0.029 120.494 120.500 -0.059 0.000 2.091 492 R HA -0.166 4.177 4.340 0.004 0.000 0.238 492 R C 2.146 178.493 176.300 0.079 0.000 1.136 492 R CA 1.389 57.557 56.100 0.114 0.000 0.959 492 R CB -0.315 30.111 30.300 0.210 0.000 0.856 492 R HN 0.237 nan 8.270 nan 0.000 0.437 493 A N 0.519 123.337 122.820 -0.004 0.000 2.015 493 A HA -0.009 4.313 4.320 0.004 0.000 0.219 493 A C 2.285 179.845 177.584 -0.040 0.000 1.163 493 A CA 1.328 53.363 52.037 -0.002 0.000 0.646 493 A CB -0.490 18.499 19.000 -0.018 0.000 0.806 493 A HN 0.523 nan 8.150 nan 0.000 0.448 494 A N -1.555 121.174 122.820 -0.151 0.000 1.972 494 A HA -0.135 4.188 4.320 0.004 0.000 0.219 494 A C 1.880 179.343 177.584 -0.202 0.000 1.169 494 A CA 1.370 53.269 52.037 -0.230 0.000 0.635 494 A CB -0.656 18.074 19.000 -0.450 0.000 0.810 494 A HN 0.755 nan 8.150 nan 0.000 0.446 495 W N -0.455 120.741 121.300 -0.173 0.000 2.574 495 W HA 0.164 4.827 4.660 0.005 0.000 0.282 495 W C 1.616 178.136 176.519 0.001 0.000 1.197 495 W CA 0.521 57.825 57.345 -0.068 0.000 1.376 495 W CB 0.158 29.581 29.460 -0.063 0.000 1.091 495 W HN 0.265 nan 8.180 nan 0.000 0.569 496 Q N 0.000 119.947 119.800 0.245 0.000 2.315 496 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 496 Q CA 0.000 55.905 55.803 0.170 0.000 1.022 496 Q CB 0.000 28.836 28.738 0.163 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481