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 3k1q_1_Q DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.609 174.700 -0.151 0.000 1.109 10 T CA 0.000 62.024 62.100 -0.127 0.000 1.349 10 T CB 0.000 68.731 68.868 -0.228 0.000 0.612 11 Y N 2.291 122.617 120.300 0.043 0.000 2.360 11 Y HA 0.675 5.225 4.550 0.000 0.000 0.337 11 Y C 0.258 176.161 175.900 0.006 0.000 1.039 11 Y CA -1.503 56.615 58.100 0.030 0.000 1.109 11 Y CB 0.461 38.948 38.460 0.045 0.000 1.201 11 Y HN 0.774 nan 8.280 nan 0.000 0.458 12 N N 3.778 122.486 118.700 0.014 0.000 2.256 12 N HA -0.139 4.601 4.740 0.000 0.000 0.277 12 N C 0.927 176.467 175.510 0.050 0.000 1.362 12 N CA 0.508 53.556 53.050 -0.004 0.000 0.861 12 N CB 0.351 38.842 38.487 0.006 0.000 1.136 12 N HN 0.880 nan 8.380 nan 0.000 0.492 13 I N 1.093 121.606 120.570 -0.095 0.000 2.493 13 I HA -0.062 4.108 4.170 0.000 0.000 0.254 13 I C 1.271 177.196 176.117 -0.320 0.000 1.160 13 I CA 0.902 62.051 61.300 -0.251 0.000 1.445 13 I CB -0.615 37.059 38.000 -0.543 0.000 1.086 13 I HN 0.549 nan 8.210 nan 0.000 0.433 14 T N -0.529 113.909 114.554 -0.193 0.000 3.624 14 T HA 0.596 4.946 4.350 0.000 0.000 0.231 14 T C 0.498 175.136 174.700 -0.103 0.000 0.865 14 T CA -0.160 61.843 62.100 -0.161 0.000 0.926 14 T CB -0.996 67.800 68.868 -0.120 0.000 1.189 14 T HN 0.484 nan 8.240 nan 0.000 0.640 15 G N 0.738 109.479 108.800 -0.097 0.000 2.788 15 G HA2 0.622 4.582 3.960 0.000 0.000 0.293 15 G HA3 0.622 4.582 3.960 0.000 0.000 0.293 15 G C -1.352 173.517 174.900 -0.052 0.000 1.305 15 G CA -0.957 44.111 45.100 -0.052 0.000 1.005 15 G HN 0.510 nan 8.290 nan 0.000 0.496 16 D N -1.780 118.605 120.400 -0.024 0.000 2.252 16 D HA 0.533 5.173 4.640 0.000 0.000 0.245 16 D C 0.681 176.987 176.300 0.010 0.000 1.009 16 D CA -0.056 53.938 54.000 -0.011 0.000 0.870 16 D CB 1.798 42.591 40.800 -0.011 0.000 1.251 16 D HN 1.337 nan 8.370 nan 0.000 0.460 17 G N 2.270 111.087 108.800 0.029 0.000 2.316 17 G HA2 -0.250 3.710 3.960 0.000 0.000 0.203 17 G HA3 -0.250 3.710 3.960 0.000 0.000 0.203 17 G C 0.037 174.990 174.900 0.089 0.000 0.999 17 G CA -0.071 45.056 45.100 0.046 0.000 0.649 17 G HN 0.847 nan 8.290 nan 0.000 0.489 18 N N 1.432 120.209 118.700 0.130 0.000 2.434 18 N HA 0.412 5.152 4.740 0.000 0.000 0.268 18 N C -0.015 175.759 175.510 0.440 0.000 1.256 18 N CA 0.806 54.024 53.050 0.279 0.000 0.914 18 N CB 1.309 39.950 38.487 0.256 0.000 1.088 18 N HN 0.294 nan 8.380 nan 0.000 0.478 19 S N 2.468 118.365 115.700 0.327 0.000 2.548 19 S HA 0.297 4.767 4.470 0.000 0.000 0.277 19 S C -0.859 173.733 174.600 -0.014 0.000 1.315 19 S CA -0.768 57.535 58.200 0.171 0.000 1.050 19 S CB -0.275 62.957 63.200 0.052 0.000 0.918 19 S HN 0.546 nan 8.310 nan 0.000 0.497 20 F N 5.241 124.998 119.950 -0.322 0.000 2.366 20 F HA 0.375 4.902 4.527 0.000 0.000 0.357 20 F C 0.276 175.821 175.800 -0.425 0.000 1.107 20 F CA -0.534 57.053 58.000 -0.689 0.000 1.208 20 F CB 0.542 39.083 39.000 -0.766 0.000 1.464 20 F HN 0.561 nan 8.300 nan 0.000 0.501 21 T N 2.885 117.142 114.554 -0.495 0.000 3.250 21 T HA 0.403 4.753 4.350 0.000 0.000 0.391 21 T C -2.997 171.423 174.700 -0.467 0.000 1.502 21 T CA -2.310 59.546 62.100 -0.407 0.000 1.320 21 T CB 0.551 69.298 68.868 -0.201 0.000 1.102 21 T HN 0.252 nan 8.240 nan 0.000 0.610 22 P HA 0.255 nan 4.420 nan 0.000 0.276 22 P C -0.099 177.057 177.300 -0.239 0.000 1.264 22 P CA 0.184 63.017 63.100 -0.443 0.000 0.769 22 P CB 0.566 31.941 31.700 -0.541 0.000 0.840 23 T N -1.305 113.143 114.554 -0.177 0.000 2.893 23 T HA 0.312 4.662 4.350 0.000 0.000 0.291 23 T C 1.371 176.025 174.700 -0.078 0.000 1.028 23 T CA -0.470 61.567 62.100 -0.106 0.000 0.995 23 T CB 1.183 69.996 68.868 -0.092 0.000 1.051 23 T HN 0.221 nan 8.240 nan 0.000 0.470 24 S N 0.486 116.157 115.700 -0.049 0.000 2.400 24 S HA -0.239 4.231 4.470 0.000 0.000 0.232 24 S C 1.508 176.093 174.600 -0.025 0.000 1.025 24 S CA 1.493 59.675 58.200 -0.031 0.000 0.993 24 S CB -0.778 62.412 63.200 -0.017 0.000 0.808 24 S HN 0.857 nan 8.310 nan 0.000 0.478 25 D N 1.140 121.519 120.400 -0.036 0.000 2.149 25 D HA -0.090 4.550 4.640 0.000 0.000 0.198 25 D C 0.867 177.142 176.300 -0.042 0.000 0.990 25 D CA 1.004 54.981 54.000 -0.038 0.000 0.839 25 D CB -0.032 40.743 40.800 -0.042 0.000 0.948 25 D HN 0.456 nan 8.370 nan 0.000 0.460 26 M N 0.915 120.480 119.600 -0.058 0.000 3.170 26 M HA 0.120 4.600 4.480 0.000 0.000 0.263 26 M C -0.621 175.652 176.300 -0.044 0.000 1.153 26 M CA -0.186 55.074 55.300 -0.068 0.000 0.949 26 M CB 1.469 33.996 32.600 -0.121 0.000 1.291 26 M HN -0.313 nan 8.290 nan 0.000 0.550 27 T N 1.017 115.562 114.554 -0.016 0.000 2.750 27 T HA 0.134 4.484 4.350 0.000 0.000 0.286 27 T C 0.656 175.382 174.700 0.042 0.000 0.911 27 T CA 0.082 62.184 62.100 0.003 0.000 1.130 27 T CB 0.018 68.893 68.868 0.013 0.000 0.873 27 T HN 0.466 nan 8.240 nan 0.000 0.536 28 S N 2.975 118.712 115.700 0.061 0.000 2.963 28 S HA 0.010 4.480 4.470 0.000 0.000 0.360 28 S C 0.684 175.359 174.600 0.124 0.000 1.198 28 S CA 0.354 58.659 58.200 0.174 0.000 0.962 28 S CB 0.074 63.340 63.200 0.109 0.000 0.628 28 S HN 0.931 nan 8.310 nan 0.000 0.446 29 T N 0.035 114.669 114.554 0.133 0.000 2.927 29 T HA 0.555 4.905 4.350 0.000 0.000 0.350 29 T C -1.020 173.708 174.700 0.047 0.000 1.746 29 T CA 0.146 62.300 62.100 0.091 0.000 1.081 29 T CB 0.782 69.690 68.868 0.067 0.000 1.551 29 T HN 1.147 nan 8.240 nan 0.000 0.489 30 A N 1.628 124.473 122.820 0.042 0.000 2.548 30 A HA 1.005 5.325 4.320 0.000 0.000 0.282 30 A C -0.800 176.800 177.584 0.026 0.000 1.288 30 A CA -0.203 51.838 52.037 0.008 0.000 0.748 30 A CB 0.841 19.857 19.000 0.027 0.000 1.339 30 A HN 1.609 nan 8.150 nan 0.000 0.475 31 A N 0.614 123.451 122.820 0.029 0.000 2.511 31 A HA 0.630 4.950 4.320 0.000 0.000 0.340 31 A C -1.881 175.739 177.584 0.059 0.000 1.396 31 A CA -1.247 50.816 52.037 0.042 0.000 0.887 31 A CB -0.387 18.635 19.000 0.035 0.000 1.145 31 A HN 0.437 nan 8.150 nan 0.000 0.497 32 P HA 0.113 nan 4.420 nan 0.000 0.213 32 P C 0.516 177.848 177.300 0.053 0.000 1.170 32 P CA 1.723 64.864 63.100 0.069 0.000 0.889 32 P CB 0.329 32.068 31.700 0.065 0.000 0.782 33 A N -1.246 121.598 122.820 0.041 0.000 2.572 33 A HA 0.636 4.956 4.320 0.000 0.000 0.295 33 A C -1.150 176.453 177.584 0.032 0.000 1.072 33 A CA -0.589 51.467 52.037 0.032 0.000 0.691 33 A CB 0.787 19.803 19.000 0.027 0.000 1.291 33 A HN 0.062 nan 8.150 nan 0.000 0.404 34 I N -1.668 118.923 120.570 0.036 0.000 2.797 34 I HA 0.693 4.863 4.170 0.000 0.000 0.307 34 I C -0.306 175.838 176.117 0.046 0.000 1.033 34 I CA -0.845 60.483 61.300 0.047 0.000 1.071 34 I CB 1.238 39.280 38.000 0.070 0.000 1.255 34 I HN 0.485 nan 8.210 nan 0.000 0.445 35 D N 2.684 123.103 120.400 0.032 0.000 2.412 35 D HA 0.177 4.817 4.640 0.000 0.000 0.257 35 D C -0.351 175.972 176.300 0.038 0.000 1.217 35 D CA 0.585 54.598 54.000 0.022 0.000 0.897 35 D CB 0.513 41.312 40.800 -0.001 0.000 1.132 35 D HN 0.667 nan 8.370 nan 0.000 0.493 36 L N 3.950 125.197 121.223 0.040 0.000 3.186 36 L HA 0.265 4.605 4.340 0.000 0.000 0.292 36 L C 0.043 176.928 176.870 0.025 0.000 1.303 36 L CA -0.460 54.410 54.840 0.051 0.000 0.940 36 L CB -0.071 42.035 42.059 0.078 0.000 1.358 36 L HN 0.226 nan 8.230 nan 0.000 0.581 37 K N 0.481 120.886 120.400 0.008 0.000 2.350 37 K HA 0.207 4.527 4.320 0.000 0.000 0.279 37 K C -1.626 174.974 176.600 -0.000 0.000 1.027 37 K CA -1.298 54.990 56.287 0.002 0.000 0.969 37 K CB 1.274 33.771 32.500 -0.005 0.000 0.954 37 K HN -0.006 nan 8.250 nan 0.000 0.474 38 P HA -0.192 nan 4.420 nan 0.000 0.214 38 P C 0.991 178.289 177.300 -0.004 0.000 1.163 38 P CA 1.634 64.734 63.100 0.001 0.000 0.889 38 P CB 0.037 31.739 31.700 0.003 0.000 0.790 39 G N -0.513 108.285 108.800 -0.004 0.000 2.547 39 G HA2 -0.304 3.656 3.960 0.000 0.000 0.221 39 G HA3 -0.304 3.656 3.960 0.000 0.000 0.221 39 G C 1.619 176.512 174.900 -0.012 0.000 1.140 39 G CA 1.110 46.207 45.100 -0.005 0.000 0.760 39 G HN 0.226 nan 8.290 nan 0.000 0.583 40 V N 0.550 120.452 119.914 -0.019 0.000 2.871 40 V HA 0.038 4.158 4.120 0.000 0.000 0.256 40 V C 2.795 178.857 176.094 -0.054 0.000 1.082 40 V CA 0.942 63.222 62.300 -0.035 0.000 1.105 40 V CB -0.050 31.751 31.823 -0.037 0.000 0.713 40 V HN 0.359 nan 8.190 nan 0.000 0.473 41 L N 0.332 121.530 121.223 -0.042 0.000 2.187 41 L HA -0.191 4.149 4.340 0.000 0.000 0.213 41 L C 2.310 179.147 176.870 -0.055 0.000 1.100 41 L CA 1.657 56.464 54.840 -0.055 0.000 0.765 41 L CB -0.800 41.244 42.059 -0.025 0.000 0.904 41 L HN 0.471 nan 8.230 nan 0.000 0.437 42 N N 0.540 119.223 118.700 -0.029 0.000 2.004 42 N HA -0.110 4.630 4.740 0.000 0.000 0.196 42 N C -1.432 174.076 175.510 -0.003 0.000 1.064 42 N CA 0.572 53.617 53.050 -0.009 0.000 0.855 42 N CB -0.908 37.586 38.487 0.011 0.000 1.056 42 N HN 0.044 nan 8.380 nan 0.000 0.423 43 P HA -0.140 nan 4.420 nan 0.000 0.191 43 P C -0.494 176.852 177.300 0.077 0.000 0.906 43 P CA 0.957 64.082 63.100 0.043 0.000 1.011 43 P CB -0.103 31.617 31.700 0.033 0.000 1.090 44 T N 0.934 115.558 114.554 0.117 0.000 3.553 44 T HA 0.220 4.570 4.350 0.000 0.000 0.144 44 T C 0.336 175.123 174.700 0.146 0.000 0.676 44 T CA 0.483 62.652 62.100 0.115 0.000 0.824 44 T CB -0.666 68.268 68.868 0.109 0.000 0.880 44 T HN 0.228 nan 8.240 nan 0.000 0.260 45 G N 3.156 112.074 108.800 0.197 0.000 2.299 45 G HA2 0.442 4.402 3.960 0.000 0.000 0.256 45 G HA3 0.442 4.402 3.960 0.000 0.000 0.256 45 G C -0.304 174.748 174.900 0.253 0.000 1.259 45 G CA 0.123 45.367 45.100 0.240 0.000 0.943 45 G HN 0.556 nan 8.290 nan 0.000 0.479 46 K N 2.307 122.854 120.400 0.245 0.000 2.237 46 K HA 0.319 4.639 4.320 0.000 0.000 0.270 46 K C -0.159 176.518 176.600 0.129 0.000 1.015 46 K CA -0.587 55.757 56.287 0.095 0.000 0.949 46 K CB 0.968 33.406 32.500 -0.105 0.000 0.976 46 K HN 0.333 nan 8.250 nan 0.000 0.472 47 L N 5.053 126.298 121.223 0.036 0.000 2.290 47 L HA 0.416 4.756 4.340 0.000 0.000 0.284 47 L C -1.127 175.761 176.870 0.029 0.000 1.078 47 L CA -0.029 54.901 54.840 0.150 0.000 0.815 47 L CB 0.235 42.404 42.059 0.183 0.000 1.162 47 L HN 0.690 nan 8.230 nan 0.000 0.435 48 W N 4.328 125.699 121.300 0.118 0.000 3.307 48 W HA 0.731 5.391 4.660 0.000 0.000 0.325 48 W C -0.615 176.016 176.519 0.187 0.000 1.255 48 W CA -0.821 56.586 57.345 0.104 0.000 1.006 48 W CB 0.767 30.281 29.460 0.090 0.000 1.608 48 W HN 0.129 nan 8.180 nan 0.000 0.620 49 R N 0.585 121.324 120.500 0.398 0.000 2.604 49 R HA 0.256 4.596 4.340 0.000 0.000 0.270 49 R C -2.777 173.557 176.300 0.056 0.000 1.052 49 R CA -2.520 53.745 56.100 0.275 0.000 0.902 49 R CB 0.963 31.365 30.300 0.170 0.000 1.233 49 R HN 0.062 nan 8.270 nan 0.000 0.455 50 P HA 0.017 nan 4.420 nan 0.000 0.244 50 P C 0.463 177.746 177.300 -0.029 0.000 1.723 50 P CA 0.384 63.419 63.100 -0.108 0.000 1.110 50 P CB 0.089 31.740 31.700 -0.081 0.000 1.972 51 V N 1.736 121.634 119.914 -0.028 0.000 0.588 51 V HA -0.373 3.747 4.120 0.000 0.000 0.092 51 V C 1.728 177.832 176.094 0.016 0.000 1.830 51 V CA 2.563 64.862 62.300 -0.003 0.000 3.401 51 V CB -2.314 29.502 31.823 -0.012 0.000 0.689 51 V HN 0.591 nan 8.190 nan 0.000 0.712 52 G N -1.912 106.900 108.800 0.020 0.000 3.990 52 G HA2 0.224 4.184 3.960 0.000 0.000 0.213 52 G HA3 0.224 4.184 3.960 0.000 0.000 0.213 52 G C 0.171 175.089 174.900 0.029 0.000 0.849 52 G CA 0.903 46.020 45.100 0.028 0.000 0.857 52 G HN 1.480 nan 8.290 nan 0.000 0.484 53 T N 0.948 115.514 114.554 0.021 0.000 2.667 53 T HA 0.530 4.880 4.350 0.000 0.000 0.305 53 T C 1.412 176.130 174.700 0.031 0.000 1.022 53 T CA 0.731 62.843 62.100 0.021 0.000 0.995 53 T CB 0.868 69.743 68.868 0.012 0.000 1.026 53 T HN 1.064 nan 8.240 nan 0.000 0.527 54 S N -0.456 115.261 115.700 0.029 0.000 2.650 54 S HA 0.176 4.646 4.470 0.000 0.000 0.251 54 S C 0.376 175.000 174.600 0.041 0.000 1.325 54 S CA -0.937 57.284 58.200 0.035 0.000 0.967 54 S CB -0.346 62.869 63.200 0.025 0.000 1.000 54 S HN 0.687 nan 8.310 nan 0.000 0.584 55 V N 1.533 121.475 119.914 0.045 0.000 2.302 55 V HA 0.529 4.649 4.120 0.000 0.000 0.244 55 V C 0.881 176.995 176.094 0.033 0.000 1.160 55 V CA 0.667 63.000 62.300 0.055 0.000 1.127 55 V CB -0.978 30.883 31.823 0.062 0.000 1.253 55 V HN 1.050 nan 8.190 nan 0.000 0.496 56 A N 3.350 126.184 122.820 0.023 0.000 1.519 56 A HA 0.084 4.404 4.320 0.000 0.000 0.210 56 A C 1.628 179.204 177.584 -0.014 0.000 1.889 56 A CA 0.593 52.633 52.037 0.005 0.000 1.478 56 A CB -0.029 18.973 19.000 0.003 0.000 1.432 56 A HN 0.595 nan 8.150 nan 0.000 0.340 57 T N 0.681 115.221 114.554 -0.022 0.000 3.427 57 T HA 0.116 4.466 4.350 0.000 0.000 0.256 57 T C 1.430 176.069 174.700 -0.103 0.000 1.172 57 T CA 0.856 62.925 62.100 -0.051 0.000 1.018 57 T CB -1.082 67.761 68.868 -0.042 0.000 0.981 57 T HN 0.380 nan 8.240 nan 0.000 0.555 58 I N 2.951 123.455 120.570 -0.109 0.000 2.229 58 I HA -0.343 3.827 4.170 0.000 0.000 0.250 58 I C 2.700 178.688 176.117 -0.215 0.000 1.096 58 I CA 2.003 63.192 61.300 -0.185 0.000 1.358 58 I CB -0.723 37.231 38.000 -0.077 0.000 1.047 58 I HN 0.467 nan 8.210 nan 0.000 0.422 59 D N 0.318 120.636 120.400 -0.136 0.000 2.239 59 D HA -0.157 4.483 4.640 0.000 0.000 0.202 59 D C 0.673 176.886 176.300 -0.145 0.000 0.993 59 D CA 1.083 55.009 54.000 -0.125 0.000 0.874 59 D CB -0.130 40.622 40.800 -0.080 0.000 0.922 59 D HN 0.363 nan 8.370 nan 0.000 0.464 60 S N -0.270 115.335 115.700 -0.158 0.000 2.561 60 S HA 0.573 5.043 4.470 0.000 0.000 0.303 60 S C -0.363 174.129 174.600 -0.180 0.000 1.110 60 S CA -0.851 57.267 58.200 -0.136 0.000 1.034 60 S CB 1.912 65.066 63.200 -0.076 0.000 1.010 60 S HN 0.167 nan 8.310 nan 0.000 0.482 61 L N 2.174 123.296 121.223 -0.168 0.000 2.386 61 L HA 0.876 5.216 4.340 0.000 0.000 0.271 61 L C -0.185 176.826 176.870 0.236 0.000 0.993 61 L CA -1.028 53.775 54.840 -0.061 0.000 0.819 61 L CB 1.788 43.688 42.059 -0.265 0.000 1.294 61 L HN 0.664 nan 8.230 nan 0.000 0.414 62 A N 2.991 125.965 122.820 0.256 0.000 2.304 62 A HA 0.761 5.081 4.320 0.000 0.000 0.323 62 A C -0.228 177.473 177.584 0.194 0.000 1.195 62 A CA -0.640 51.530 52.037 0.222 0.000 0.826 62 A CB 0.615 19.657 19.000 0.070 0.000 1.184 62 A HN 0.716 nan 8.150 nan 0.000 0.496 63 I N 1.940 122.458 120.570 -0.088 0.000 2.710 63 I HA 0.339 4.509 4.170 0.000 0.000 0.286 63 I C 0.864 176.825 176.117 -0.260 0.000 1.181 63 I CA -0.596 60.480 61.300 -0.374 0.000 1.430 63 I CB -0.259 37.307 38.000 -0.723 0.000 1.367 63 I HN 0.599 nan 8.210 nan 0.000 0.577 64 V N 2.470 122.233 119.914 -0.250 0.000 3.803 64 V HA 0.011 4.131 4.120 0.000 0.000 0.300 64 V C 0.934 176.766 176.094 -0.437 0.000 1.111 64 V CA -0.006 62.132 62.300 -0.269 0.000 1.189 64 V CB 0.627 32.337 31.823 -0.188 0.000 1.118 64 V HN 1.005 nan 8.190 nan 0.000 0.486 65 S N 1.253 116.659 115.700 -0.489 0.000 3.517 65 S HA 0.107 4.577 4.470 0.000 0.000 0.284 65 S C 0.968 175.054 174.600 -0.857 0.000 1.260 65 S CA 0.021 57.842 58.200 -0.632 0.000 0.975 65 S CB -1.183 61.659 63.200 -0.597 0.000 1.540 65 S HN 1.038 nan 8.310 nan 0.000 0.506 66 D N 4.384 124.264 120.400 -0.867 0.000 2.218 66 D HA -0.204 4.436 4.640 0.000 0.000 0.204 66 D C 1.702 177.604 176.300 -0.664 0.000 0.976 66 D CA 0.737 54.069 54.000 -1.113 0.000 0.853 66 D CB -0.281 40.044 40.800 -0.791 0.000 0.939 66 D HN 0.525 nan 8.370 nan 0.000 0.481 67 R N -0.278 119.856 120.500 -0.611 0.000 2.224 67 R HA -0.235 4.105 4.340 0.000 0.000 0.255 67 R C 1.072 177.134 176.300 -0.397 0.000 1.130 67 R CA 2.632 58.398 56.100 -0.557 0.000 0.957 67 R CB -0.462 29.381 30.300 -0.760 0.000 0.907 67 R HN 0.519 nan 8.270 nan 0.000 0.446 68 F N -4.998 114.915 119.950 -0.062 0.000 3.083 68 F HA 0.549 5.076 4.527 0.000 0.000 0.355 68 F C 0.165 176.017 175.800 0.086 0.000 1.194 68 F CA -0.139 57.878 58.000 0.029 0.000 1.027 68 F CB 0.194 39.205 39.000 0.018 0.000 1.386 68 F HN 0.084 nan 8.300 nan 0.000 0.513 69 G N -0.031 108.719 108.800 -0.083 0.000 2.619 69 G HA2 0.329 4.289 3.960 0.000 0.000 0.146 69 G HA3 0.329 4.289 3.960 0.000 0.000 0.146 69 G C -1.378 173.030 174.900 -0.819 0.000 1.192 69 G CA -0.720 44.346 45.100 -0.057 0.000 1.063 69 G HN -0.034 nan 8.290 nan 0.000 0.538 70 Q N 0.718 119.506 119.800 -1.688 0.000 3.970 70 Q HA -0.033 4.307 4.340 0.000 0.000 0.367 70 Q C -0.812 174.626 176.000 -0.937 0.000 1.189 70 Q CA 0.971 55.712 55.803 -1.770 0.000 1.212 70 Q CB -0.992 27.254 28.738 -0.820 0.000 1.037 70 Q HN 0.450 nan 8.270 nan 0.000 0.474 71 Y N -0.807 119.084 120.300 -0.681 0.000 2.780 71 Y HA 0.413 4.963 4.550 0.000 0.000 0.340 71 Y C 1.280 177.184 175.900 0.006 0.000 1.216 71 Y CA -1.161 56.843 58.100 -0.159 0.000 1.245 71 Y CB 0.608 39.081 38.460 0.021 0.000 1.492 71 Y HN 0.242 nan 8.280 nan 0.000 0.660 72 S N 0.642 116.482 115.700 0.234 0.000 2.559 72 S HA -0.067 4.403 4.470 0.000 0.000 0.282 72 S C -0.605 174.054 174.600 0.097 0.000 1.336 72 S CA -0.425 57.862 58.200 0.145 0.000 1.037 72 S CB -0.230 63.035 63.200 0.108 0.000 0.853 72 S HN 0.362 nan 8.310 nan 0.000 0.523 73 F N 3.106 123.140 119.950 0.139 0.000 2.539 73 F HA 0.041 4.568 4.527 0.000 0.000 0.393 73 F C 0.313 176.156 175.800 0.071 0.000 1.032 73 F CA -0.028 58.036 58.000 0.107 0.000 1.120 73 F CB -0.194 38.858 39.000 0.087 0.000 1.014 73 F HN 0.220 nan 8.300 nan 0.000 0.546 74 V N 5.812 125.032 119.914 -1.157 0.000 2.763 74 V HA -0.135 3.985 4.120 0.000 0.000 0.306 74 V C 0.706 176.594 176.094 -0.343 0.000 1.059 74 V CA -0.544 61.404 62.300 -0.586 0.000 1.138 74 V CB 0.316 31.855 31.823 -0.474 0.000 0.940 74 V HN 0.675 nan 8.190 nan 0.000 0.489 75 N N 3.380 121.968 118.700 -0.188 0.000 2.399 75 N HA -0.053 4.687 4.740 0.000 0.000 0.284 75 N C 1.251 176.693 175.510 -0.114 0.000 1.283 75 N CA 0.507 53.488 53.050 -0.115 0.000 0.972 75 N CB 0.028 38.427 38.487 -0.146 0.000 1.328 75 N HN 0.837 nan 8.380 nan 0.000 0.486 76 E N 2.565 122.756 120.200 -0.015 0.000 2.172 76 E HA -0.291 4.059 4.350 0.000 0.000 0.213 76 E C 1.375 177.934 176.600 -0.068 0.000 1.051 76 E CA 1.976 58.375 56.400 -0.002 0.000 0.860 76 E CB -0.126 29.610 29.700 0.059 0.000 0.755 76 E HN 0.784 nan 8.360 nan 0.000 0.462 77 G N 0.505 109.250 108.800 -0.093 0.000 2.394 77 G HA2 -0.248 3.712 3.960 0.000 0.000 0.215 77 G HA3 -0.248 3.712 3.960 0.000 0.000 0.215 77 G C 1.493 176.251 174.900 -0.237 0.000 1.165 77 G CA 0.723 45.745 45.100 -0.130 0.000 0.784 77 G HN 0.269 nan 8.290 nan 0.000 0.535 78 M N 1.153 120.559 119.600 -0.323 0.000 2.117 78 M HA -0.076 4.404 4.480 0.000 0.000 0.262 78 M C 2.872 178.821 176.300 -0.584 0.000 1.065 78 M CA 1.769 56.697 55.300 -0.620 0.000 1.114 78 M CB -0.151 32.093 32.600 -0.594 0.000 1.361 78 M HN 0.354 nan 8.290 nan 0.000 0.408 79 R N 0.037 120.350 120.500 -0.312 0.000 2.096 79 R HA -0.193 4.147 4.340 0.000 0.000 0.240 79 R C 1.746 177.957 176.300 -0.149 0.000 1.139 79 R CA 2.057 58.044 56.100 -0.188 0.000 0.952 79 R CB -1.194 29.031 30.300 -0.125 0.000 0.854 79 R HN 0.503 nan 8.270 nan 0.000 0.436 80 E N 0.704 120.818 120.200 -0.143 0.000 2.051 80 E HA -0.174 4.176 4.350 0.000 0.000 0.192 80 E C 2.295 178.812 176.600 -0.138 0.000 0.991 80 E CA 2.062 58.394 56.400 -0.114 0.000 0.799 80 E CB -0.234 29.417 29.700 -0.080 0.000 0.748 80 E HN 0.665 nan 8.360 nan 0.000 0.449 81 T N 0.203 114.662 114.554 -0.159 0.000 2.607 81 T HA -0.205 4.145 4.350 0.000 0.000 0.267 81 T C 1.826 176.552 174.700 0.043 0.000 1.049 81 T CA 1.280 63.317 62.100 -0.105 0.000 1.162 81 T CB -0.645 68.132 68.868 -0.152 0.000 0.863 81 T HN -0.027 nan 8.240 nan 0.000 0.424 82 F N 1.960 121.801 119.950 -0.182 0.000 2.120 82 F HA -0.010 4.517 4.527 0.000 0.000 0.300 82 F C 3.218 178.844 175.800 -0.290 0.000 1.095 82 F CA 0.483 58.355 58.000 -0.213 0.000 1.249 82 F CB -1.661 37.221 39.000 -0.196 0.000 0.995 82 F HN 0.321 nan 8.300 nan 0.000 0.480 83 S N -0.125 115.478 115.700 -0.162 0.000 2.370 83 S HA -0.173 4.297 4.470 0.000 0.000 0.226 83 S C 2.218 176.243 174.600 -0.959 0.000 1.033 83 S CA 1.153 59.091 58.200 -0.437 0.000 1.011 83 S CB -0.119 62.875 63.200 -0.344 0.000 0.852 83 S HN 0.156 nan 8.310 nan 0.000 0.457 84 K N 1.672 121.638 120.400 -0.725 0.000 2.063 84 K HA 0.028 4.348 4.320 0.000 0.000 0.208 84 K C 2.375 178.773 176.600 -0.337 0.000 1.048 84 K CA 1.329 57.230 56.287 -0.643 0.000 0.928 84 K CB -1.302 31.064 32.500 -0.224 0.000 0.713 84 K HN 0.461 nan 8.250 nan 0.000 0.442 85 A N 1.676 124.373 122.820 -0.205 0.000 1.883 85 A HA -0.175 4.145 4.320 0.000 0.000 0.217 85 A C 2.247 179.766 177.584 -0.109 0.000 1.186 85 A CA 1.544 53.514 52.037 -0.111 0.000 0.624 85 A CB -0.702 18.233 19.000 -0.108 0.000 0.822 85 A HN 0.234 nan 8.150 nan 0.000 0.444 86 L N -0.733 120.385 121.223 -0.176 0.000 2.127 86 L HA -0.116 4.224 4.340 0.000 0.000 0.211 86 L C 2.184 179.109 176.870 0.092 0.000 1.089 86 L CA 1.690 56.481 54.840 -0.082 0.000 0.757 86 L CB -0.697 41.300 42.059 -0.104 0.000 0.899 86 L HN 0.496 nan 8.230 nan 0.000 0.434 87 F N -0.512 119.415 119.950 -0.037 0.000 2.186 87 F HA -0.228 4.299 4.527 0.000 0.000 0.299 87 F C 2.067 177.842 175.800 -0.042 0.000 1.090 87 F CA 0.482 58.456 58.000 -0.042 0.000 1.307 87 F CB -0.494 38.480 39.000 -0.043 0.000 1.019 87 F HN 0.168 nan 8.300 nan 0.000 0.489 88 D N 1.155 121.644 120.400 0.148 0.000 2.154 88 D HA -0.242 4.398 4.640 0.000 0.000 0.190 88 D C 2.152 178.592 176.300 0.232 0.000 1.003 88 D CA 1.633 55.698 54.000 0.108 0.000 0.849 88 D CB -0.247 40.632 40.800 0.130 0.000 0.942 88 D HN 0.092 nan 8.370 nan 0.000 0.446 89 I N 0.718 121.407 120.570 0.198 0.000 2.286 89 I HA -0.202 3.968 4.170 0.000 0.000 0.248 89 I C 1.639 177.807 176.117 0.086 0.000 1.115 89 I CA 1.231 62.599 61.300 0.113 0.000 1.392 89 I CB -1.326 36.558 38.000 -0.193 0.000 1.065 89 I HN 0.155 nan 8.210 nan 0.000 0.418 90 N N 1.068 119.807 118.700 0.065 0.000 2.205 90 N HA -0.183 4.557 4.740 0.000 0.000 0.186 90 N C 1.822 177.366 175.510 0.057 0.000 1.015 90 N CA 1.068 54.144 53.050 0.044 0.000 0.862 90 N CB -0.233 38.280 38.487 0.044 0.000 0.986 90 N HN 0.389 nan 8.380 nan 0.000 0.429 91 M N -0.720 118.907 119.600 0.046 0.000 2.267 91 M HA -0.128 4.352 4.480 0.000 0.000 0.263 91 M C 0.789 177.140 176.300 0.085 0.000 1.063 91 M CA 1.254 56.512 55.300 -0.071 0.000 1.090 91 M CB -0.075 32.335 32.600 -0.317 0.000 1.392 91 M HN 0.282 nan 8.290 nan 0.000 0.422 92 W N 0.486 121.887 121.300 0.168 0.000 3.102 92 W HA 0.220 4.880 4.660 0.000 0.000 0.401 92 W C 1.555 178.264 176.519 0.316 0.000 1.070 92 W CA -0.344 57.184 57.345 0.305 0.000 1.921 92 W CB -0.428 29.367 29.460 0.559 0.000 1.118 92 W HN 0.415 nan 8.180 nan 0.000 0.647 93 Q N 1.581 121.585 119.800 0.339 0.000 2.096 93 Q HA -0.219 4.121 4.340 0.000 0.000 0.208 93 Q C -0.115 176.015 176.000 0.216 0.000 0.993 93 Q CA 2.487 58.422 55.803 0.220 0.000 0.862 93 Q CB -0.888 27.906 28.738 0.095 0.000 0.915 93 Q HN 0.021 nan 8.270 nan 0.000 0.416 94 P HA -0.186 nan 4.420 nan 0.000 0.218 94 P C 1.268 178.602 177.300 0.057 0.000 1.148 94 P CA 1.030 64.191 63.100 0.101 0.000 0.822 94 P CB -0.004 31.741 31.700 0.075 0.000 0.784 95 L N -1.395 119.883 121.223 0.092 0.000 2.068 95 L HA 0.057 4.397 4.340 0.000 0.000 0.204 95 L C 2.546 179.337 176.870 -0.131 0.000 1.076 95 L CA 1.444 56.205 54.840 -0.133 0.000 0.753 95 L CB -1.548 40.342 42.059 -0.283 0.000 0.910 95 L HN -0.261 nan 8.230 nan 0.000 0.439 96 F N 0.319 120.307 119.950 0.063 0.000 2.063 96 F HA -0.347 4.180 4.527 0.000 0.000 0.298 96 F C 2.743 178.567 175.800 0.040 0.000 1.109 96 F CA 2.250 60.344 58.000 0.157 0.000 1.212 96 F CB -0.577 38.542 39.000 0.199 0.000 0.973 96 F HN 0.207 nan 8.300 nan 0.000 0.480 97 Q N -0.670 119.263 119.800 0.222 0.000 2.096 97 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 97 Q C 2.400 178.414 176.000 0.023 0.000 0.982 97 Q CA 1.639 57.506 55.803 0.107 0.000 0.850 97 Q CB -0.415 28.372 28.738 0.082 0.000 0.901 97 Q HN 0.467 nan 8.270 nan 0.000 0.422 98 A N 0.262 123.061 122.820 -0.035 0.000 1.969 98 A HA -0.138 4.182 4.320 0.000 0.000 0.218 98 A C 2.111 179.608 177.584 -0.145 0.000 1.169 98 A CA 1.663 53.639 52.037 -0.102 0.000 0.635 98 A CB -0.705 18.194 19.000 -0.169 0.000 0.810 98 A HN 0.534 nan 8.150 nan 0.000 0.445 99 T N -3.290 111.155 114.554 -0.183 0.000 3.160 99 T HA 0.095 4.445 4.350 0.000 0.000 0.257 99 T C 0.712 175.374 174.700 -0.064 0.000 1.147 99 T CA 0.775 62.771 62.100 -0.174 0.000 1.064 99 T CB -0.368 68.368 68.868 -0.219 0.000 0.949 99 T HN 0.403 nan 8.240 nan 0.000 0.526 100 K N 1.409 121.798 120.400 -0.018 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.456 177.082 176.600 0.043 0.000 1.005 100 K CA 1.200 57.498 56.287 0.018 0.000 0.738 100 K CB -2.372 30.129 32.500 0.002 0.000 1.236 100 K HN 0.776 nan 8.250 nan 0.000 0.483 101 T N -2.803 111.798 114.554 0.079 0.000 3.285 101 T HA 0.437 4.787 4.350 0.000 0.000 0.232 101 T C 1.114 175.924 174.700 0.183 0.000 0.973 101 T CA -0.184 61.976 62.100 0.100 0.000 1.023 101 T CB 0.574 69.460 68.868 0.029 0.000 1.158 101 T HN 0.613 nan 8.240 nan 0.000 0.590 102 G N 0.301 109.179 108.800 0.129 0.000 2.258 102 G HA2 -0.369 3.591 3.960 0.000 0.000 0.274 102 G HA3 -0.369 3.591 3.960 0.000 0.000 0.274 102 G C 1.337 176.316 174.900 0.132 0.000 1.021 102 G CA 0.089 45.257 45.100 0.113 0.000 0.798 102 G HN 0.813 nan 8.290 nan 0.000 0.507 103 C N 0.261 119.671 119.300 0.183 0.000 2.396 103 C HA 0.119 4.579 4.460 0.000 0.000 0.279 103 C C 2.603 177.611 174.990 0.030 0.000 1.229 103 C CA 1.372 60.483 59.018 0.154 0.000 1.801 103 C CB -1.267 26.592 27.740 0.197 0.000 2.050 103 C HN 1.778 nan 8.230 nan 0.000 0.491 104 G N 3.378 112.204 108.800 0.044 0.000 2.193 104 G HA2 0.146 4.106 3.960 0.000 0.000 0.275 104 G HA3 0.146 4.106 3.960 0.000 0.000 0.275 104 G C -1.635 173.273 174.900 0.013 0.000 0.882 104 G CA -0.163 44.954 45.100 0.028 0.000 1.135 104 G HN 0.721 nan 8.290 nan 0.000 0.349 105 P HA -0.072 nan 4.420 nan 0.000 0.253 105 P C 1.427 178.747 177.300 0.032 0.000 1.170 105 P CA -0.079 63.024 63.100 0.005 0.000 0.806 105 P CB 0.463 32.172 31.700 0.014 0.000 0.775 106 I N 3.945 124.533 120.570 0.030 0.000 2.191 106 I HA -0.363 3.807 4.170 0.000 0.000 0.248 106 I C 1.200 177.388 176.117 0.117 0.000 1.061 106 I CA 1.984 63.327 61.300 0.073 0.000 1.329 106 I CB -0.757 37.264 38.000 0.035 0.000 1.024 106 I HN 0.429 nan 8.210 nan 0.000 0.423 107 V N -1.357 118.606 119.914 0.080 0.000 5.981 107 V HA -0.249 3.871 4.120 0.000 0.000 0.233 107 V C 0.886 177.049 176.094 0.115 0.000 0.653 107 V CA 0.561 62.916 62.300 0.091 0.000 0.677 107 V CB -2.116 29.757 31.823 0.083 0.000 0.632 107 V HN 0.357 nan 8.190 nan 0.000 0.464 108 L N 3.641 124.878 121.223 0.023 0.000 2.103 108 L HA -0.201 4.139 4.340 0.000 0.000 0.215 108 L C 2.802 179.686 176.870 0.023 0.000 1.080 108 L CA 3.098 57.894 54.840 -0.073 0.000 0.764 108 L CB -0.398 41.596 42.059 -0.109 0.000 0.890 108 L HN 1.240 nan 8.230 nan 0.000 0.435 109 S N -2.402 113.323 115.700 0.042 0.000 2.407 109 S HA -0.261 4.209 4.470 0.000 0.000 0.235 109 S C 1.974 176.614 174.600 0.066 0.000 1.036 109 S CA 1.601 59.827 58.200 0.043 0.000 1.013 109 S CB -0.932 62.293 63.200 0.043 0.000 0.820 109 S HN 0.535 nan 8.310 nan 0.000 0.476 110 S N 1.393 117.169 115.700 0.128 0.000 2.402 110 S HA 0.103 4.573 4.470 0.000 0.000 0.229 110 S C 1.339 176.005 174.600 0.110 0.000 1.021 110 S CA 1.120 59.383 58.200 0.105 0.000 0.974 110 S CB -0.518 62.740 63.200 0.096 0.000 0.800 110 S HN 0.583 nan 8.310 nan 0.000 0.484 111 F N 2.240 122.141 119.950 -0.081 0.000 2.234 111 F HA 0.019 4.546 4.527 0.000 0.000 0.296 111 F C 1.972 177.627 175.800 -0.242 0.000 1.089 111 F CA 0.606 58.534 58.000 -0.120 0.000 1.343 111 F CB -1.515 37.431 39.000 -0.089 0.000 1.040 111 F HN 0.078 nan 8.300 nan 0.000 0.498 112 T N 0.366 114.899 114.554 -0.034 0.000 3.738 112 T HA 0.164 4.514 4.350 0.000 0.000 0.231 112 T C 0.219 174.768 174.700 -0.253 0.000 0.967 112 T CA -0.353 61.630 62.100 -0.196 0.000 1.227 112 T CB -1.344 67.448 68.868 -0.127 0.000 1.136 112 T HN 0.139 nan 8.240 nan 0.000 0.807 113 T N 0.686 114.921 114.554 -0.531 0.000 2.928 113 T HA 0.525 4.875 4.350 0.000 0.000 0.284 113 T C 0.598 175.170 174.700 -0.214 0.000 1.008 113 T CA -0.997 60.852 62.100 -0.419 0.000 1.057 113 T CB 1.159 69.785 68.868 -0.404 0.000 1.018 113 T HN 0.648 nan 8.240 nan 0.000 0.493 114 T N -0.172 114.433 114.554 0.085 0.000 2.902 114 T HA 0.308 4.658 4.350 0.000 0.000 0.301 114 T C 0.083 175.017 174.700 0.390 0.000 1.012 114 T CA -0.493 61.725 62.100 0.195 0.000 1.151 114 T CB 0.285 69.243 68.868 0.150 0.000 0.946 114 T HN 0.719 nan 8.240 nan 0.000 0.542 115 T N 2.328 117.109 114.554 0.379 0.000 2.792 115 T HA 0.544 4.894 4.350 0.000 0.000 0.280 115 T C -0.851 173.982 174.700 0.222 0.000 0.990 115 T CA -0.612 61.685 62.100 0.329 0.000 0.960 115 T CB 1.154 70.251 68.868 0.381 0.000 0.939 115 T HN 0.768 nan 8.240 nan 0.000 0.439 116 S N 2.968 118.757 115.700 0.149 0.000 2.779 116 S HA 0.792 5.262 4.470 0.000 0.000 0.293 116 S C 0.090 174.735 174.600 0.076 0.000 1.150 116 S CA 0.359 58.619 58.200 0.100 0.000 1.057 116 S CB 0.401 63.648 63.200 0.078 0.000 1.021 116 S HN 1.271 nan 8.310 nan 0.000 0.485 117 G N 3.521 112.344 108.800 0.039 0.000 2.553 117 G HA2 0.157 4.117 3.960 0.000 0.000 0.106 117 G HA3 0.157 4.117 3.960 0.000 0.000 0.106 117 G C -1.964 172.857 174.900 -0.132 0.000 1.126 117 G CA -0.614 44.476 45.100 -0.015 0.000 1.075 117 G HN 0.513 nan 8.290 nan 0.000 0.472 118 Y N 0.345 120.735 120.300 0.151 0.000 2.308 118 Y HA 0.541 5.091 4.550 0.000 0.000 0.329 118 Y C 0.515 176.567 175.900 0.253 0.000 1.111 118 Y CA -0.405 57.782 58.100 0.145 0.000 1.179 118 Y CB 1.970 40.477 38.460 0.079 0.000 1.201 118 Y HN 0.262 nan 8.280 nan 0.000 0.483 119 V N 3.032 123.101 119.914 0.259 0.000 2.334 119 V HA 0.866 4.986 4.120 0.000 0.000 0.281 119 V C 0.206 176.435 176.094 0.226 0.000 1.016 119 V CA -0.498 61.965 62.300 0.271 0.000 0.832 119 V CB 0.713 32.647 31.823 0.184 0.000 0.999 119 V HN 0.937 nan 8.190 nan 0.000 0.439 120 G N 2.369 111.374 108.800 0.340 0.000 2.616 120 G HA2 0.572 4.532 3.960 0.000 0.000 0.294 120 G HA3 0.572 4.532 3.960 0.000 0.000 0.294 120 G C 0.340 175.472 174.900 0.386 0.000 1.489 120 G CA 0.122 45.363 45.100 0.234 0.000 0.836 120 G HN 0.768 nan 8.290 nan 0.000 0.527 121 A N 0.172 123.131 122.820 0.231 0.000 1.873 121 A HA 0.233 4.553 4.320 0.000 0.000 0.218 121 A C 1.779 179.532 177.584 0.281 0.000 1.193 121 A CA 2.710 54.883 52.037 0.228 0.000 0.629 121 A CB -0.968 18.112 19.000 0.133 0.000 0.826 121 A HN 2.000 nan 8.150 nan 0.000 0.447 122 T N -5.228 109.422 114.554 0.160 0.000 2.918 122 T HA 0.679 5.029 4.350 0.000 0.000 0.286 122 T C 1.016 175.587 174.700 -0.215 0.000 1.026 122 T CA -0.052 62.112 62.100 0.107 0.000 1.031 122 T CB 1.687 70.580 68.868 0.042 0.000 1.046 122 T HN 0.781 nan 8.240 nan 0.000 0.479 123 A N 2.420 125.006 122.820 -0.390 0.000 1.881 123 A HA 0.024 4.344 4.320 0.000 0.000 0.219 123 A C 2.436 179.727 177.584 -0.489 0.000 1.215 123 A CA 2.723 54.279 52.037 -0.802 0.000 0.648 123 A CB -1.978 16.791 19.000 -0.386 0.000 0.832 123 A HN 1.470 nan 8.150 nan 0.000 0.455 124 G N 0.895 109.545 108.800 -0.250 0.000 2.870 124 G HA2 -0.515 3.445 3.960 0.000 0.000 0.237 124 G HA3 -0.515 3.445 3.960 0.000 0.000 0.237 124 G C 1.052 175.853 174.900 -0.166 0.000 1.209 124 G CA 2.363 47.363 45.100 -0.166 0.000 0.769 124 G HN 0.810 nan 8.290 nan 0.000 0.704 125 D N 0.874 121.194 120.400 -0.132 0.000 2.149 125 D HA 0.154 4.794 4.640 0.000 0.000 0.198 125 D C 2.415 178.643 176.300 -0.119 0.000 0.990 125 D CA 1.963 55.906 54.000 -0.095 0.000 0.839 125 D CB -0.699 40.081 40.800 -0.034 0.000 0.948 125 D HN 0.503 nan 8.370 nan 0.000 0.460 126 A N 0.409 123.080 122.820 -0.249 0.000 2.015 126 A HA -0.006 4.314 4.320 0.000 0.000 0.219 126 A C 2.330 179.783 177.584 -0.217 0.000 1.163 126 A CA 0.972 52.831 52.037 -0.296 0.000 0.646 126 A CB -0.891 17.582 19.000 -0.879 0.000 0.806 126 A HN 0.331 nan 8.150 nan 0.000 0.448 127 L N -0.393 120.640 121.223 -0.317 0.000 2.081 127 L HA -0.265 4.075 4.340 0.000 0.000 0.212 127 L C 1.856 178.699 176.870 -0.045 0.000 1.080 127 L CA 1.834 56.518 54.840 -0.260 0.000 0.754 127 L CB -0.807 41.109 42.059 -0.238 0.000 0.893 127 L HN 0.290 nan 8.230 nan 0.000 0.433 128 D N -0.832 119.559 120.400 -0.015 0.000 2.224 128 D HA -0.084 4.556 4.640 0.000 0.000 0.205 128 D C 0.728 177.071 176.300 0.071 0.000 0.965 128 D CA 0.775 54.794 54.000 0.031 0.000 0.852 128 D CB -0.132 40.664 40.800 -0.007 0.000 0.947 128 D HN 0.221 nan 8.370 nan 0.000 0.494 129 N N 0.362 119.124 118.700 0.104 0.000 2.483 129 N HA 0.275 5.015 4.740 0.000 0.000 0.267 129 N C -2.870 172.653 175.510 0.022 0.000 0.998 129 N CA -1.811 51.273 53.050 0.056 0.000 0.918 129 N CB 1.832 40.340 38.487 0.035 0.000 1.215 129 N HN -0.217 nan 8.380 nan 0.000 0.500 130 P HA 0.289 nan 4.420 nan 0.000 0.307 130 P C -1.283 175.873 177.300 -0.240 0.000 1.412 130 P CA -0.657 62.172 63.100 -0.453 0.000 0.985 130 P CB 2.106 33.290 31.700 -0.859 0.000 1.098 131 V N 3.185 122.993 119.914 -0.177 0.000 2.305 131 V HA 0.227 4.347 4.120 0.000 0.000 0.275 131 V C 0.600 176.651 176.094 -0.070 0.000 1.020 131 V CA -0.365 61.867 62.300 -0.113 0.000 0.811 131 V CB 1.089 32.845 31.823 -0.112 0.000 1.031 131 V HN 0.647 nan 8.190 nan 0.000 0.439 132 T N 1.401 115.910 114.554 -0.075 0.000 2.851 132 T HA 0.260 4.610 4.350 0.000 0.000 0.298 132 T C 0.530 175.236 174.700 0.009 0.000 0.977 132 T CA -0.146 61.936 62.100 -0.030 0.000 1.126 132 T CB 0.070 68.914 68.868 -0.040 0.000 0.916 132 T HN 0.744 nan 8.240 nan 0.000 0.529 133 N N 1.563 120.294 118.700 0.052 0.000 2.669 133 N HA -0.143 4.597 4.740 0.000 0.000 0.266 133 N C 0.603 176.185 175.510 0.120 0.000 1.024 133 N CA 0.759 53.862 53.050 0.088 0.000 0.766 133 N CB -1.007 37.520 38.487 0.066 0.000 0.898 133 N HN 1.008 nan 8.380 nan 0.000 0.548 134 G N -0.341 108.580 108.800 0.201 0.000 2.882 134 G HA2 0.709 4.669 3.960 0.000 0.000 0.164 134 G HA3 0.709 4.669 3.960 0.000 0.000 0.164 134 G C -0.217 174.899 174.900 0.360 0.000 1.429 134 G CA 0.139 45.467 45.100 0.380 0.000 1.059 134 G HN 0.831 nan 8.290 nan 0.000 0.581 135 V N -2.220 117.944 119.914 0.416 0.000 2.932 135 V HA 0.782 4.902 4.120 0.000 0.000 0.307 135 V C -0.876 175.103 176.094 -0.192 0.000 1.147 135 V CA -1.147 61.169 62.300 0.027 0.000 0.951 135 V CB 1.138 32.901 31.823 -0.099 0.000 1.031 135 V HN 1.021 nan 8.190 nan 0.000 0.426 136 F N 3.105 123.000 119.950 -0.093 0.000 2.594 136 F HA 0.943 5.470 4.527 0.000 0.000 0.335 136 F C -0.873 174.917 175.800 -0.017 0.000 1.058 136 F CA -1.539 56.424 58.000 -0.062 0.000 0.981 136 F CB 1.847 40.883 39.000 0.059 0.000 1.289 136 F HN 0.692 nan 8.300 nan 0.000 0.490 137 I N 1.466 122.048 120.570 0.021 0.000 2.686 137 I HA 0.429 4.599 4.170 0.000 0.000 0.295 137 I C -0.946 175.315 176.117 0.240 0.000 1.114 137 I CA -0.567 60.733 61.300 0.001 0.000 1.038 137 I CB 2.133 40.081 38.000 -0.086 0.000 1.238 137 I HN 0.881 nan 8.210 nan 0.000 0.420 138 S N 3.308 119.189 115.700 0.302 0.000 2.554 138 S HA 0.218 4.688 4.470 0.000 0.000 0.278 138 S C 1.349 175.830 174.600 -0.199 0.000 1.242 138 S CA 0.201 58.461 58.200 0.099 0.000 1.051 138 S CB 1.287 64.800 63.200 0.521 0.000 0.986 138 S HN 0.846 nan 8.310 nan 0.000 0.502 139 T N 3.103 117.333 114.554 -0.541 0.000 2.620 139 T HA -0.208 4.142 4.350 0.000 0.000 0.267 139 T C 1.788 176.470 174.700 -0.030 0.000 1.044 139 T CA 2.205 64.157 62.100 -0.246 0.000 1.161 139 T CB -1.315 67.490 68.868 -0.106 0.000 0.862 139 T HN 0.509 nan 8.240 nan 0.000 0.438 140 V N 2.268 122.221 119.914 0.066 0.000 2.231 140 V HA -0.293 3.827 4.120 0.000 0.000 0.248 140 V C 3.023 179.186 176.094 0.116 0.000 1.054 140 V CA 2.402 64.763 62.300 0.102 0.000 1.015 140 V CB -1.175 30.737 31.823 0.148 0.000 0.638 140 V HN 0.550 nan 8.190 nan 0.000 0.444 141 Q N -0.063 119.832 119.800 0.159 0.000 2.030 141 Q HA -0.206 4.134 4.340 0.000 0.000 0.204 141 Q C 2.301 178.484 176.000 0.306 0.000 0.986 141 Q CA 2.381 58.344 55.803 0.267 0.000 0.843 141 Q CB -0.484 28.443 28.738 0.315 0.000 0.904 141 Q HN 0.862 nan 8.270 nan 0.000 0.420 142 I N -1.909 118.735 120.570 0.122 0.000 2.264 142 I HA -0.292 3.878 4.170 0.000 0.000 0.248 142 I C 2.468 178.585 176.117 0.001 0.000 1.111 142 I CA 1.032 62.336 61.300 0.008 0.000 1.382 142 I CB -0.563 37.410 38.000 -0.044 0.000 1.060 142 I HN 0.200 nan 8.210 nan 0.000 0.418 143 M N 2.380 121.994 119.600 0.024 0.000 2.110 143 M HA -0.292 4.188 4.480 0.000 0.000 0.257 143 M C 1.998 178.318 176.300 0.033 0.000 1.071 143 M CA 2.433 57.744 55.300 0.020 0.000 1.096 143 M CB -1.338 31.281 32.600 0.032 0.000 1.300 143 M HN 0.424 nan 8.290 nan 0.000 0.411 144 N N -0.169 118.585 118.700 0.091 0.000 2.216 144 N HA -0.138 4.602 4.740 0.000 0.000 0.183 144 N C 1.564 177.158 175.510 0.141 0.000 1.017 144 N CA 1.082 54.202 53.050 0.116 0.000 0.861 144 N CB -0.211 38.362 38.487 0.143 0.000 0.986 144 N HN 0.212 nan 8.380 nan 0.000 0.428 145 L N 1.564 122.886 121.223 0.166 0.000 1.971 145 L HA -0.262 4.078 4.340 0.000 0.000 0.215 145 L C 1.984 178.762 176.870 -0.154 0.000 1.072 145 L CA 1.810 56.597 54.840 -0.089 0.000 0.758 145 L CB -0.766 40.995 42.059 -0.497 0.000 0.889 145 L HN 0.217 nan 8.230 nan 0.000 0.433 146 Q N -0.743 118.961 119.800 -0.159 0.000 2.096 146 Q HA -0.307 4.033 4.340 0.000 0.000 0.208 146 Q C 2.369 178.304 176.000 -0.109 0.000 0.993 146 Q CA 2.169 57.871 55.803 -0.168 0.000 0.862 146 Q CB -0.550 28.097 28.738 -0.152 0.000 0.915 146 Q HN 0.506 nan 8.270 nan 0.000 0.416 147 R N 0.482 120.949 120.500 -0.056 0.000 2.112 147 R HA -0.208 4.132 4.340 0.000 0.000 0.242 147 R C 2.125 178.407 176.300 -0.030 0.000 1.137 147 R CA 2.290 58.372 56.100 -0.030 0.000 0.944 147 R CB -0.579 29.720 30.300 -0.001 0.000 0.857 147 R HN 0.406 nan 8.270 nan 0.000 0.435 148 T N 0.965 115.507 114.554 -0.020 0.000 2.652 148 T HA -0.162 4.188 4.350 0.000 0.000 0.267 148 T C 2.102 176.771 174.700 -0.053 0.000 1.039 148 T CA 1.753 63.842 62.100 -0.018 0.000 1.153 148 T CB -0.449 68.426 68.868 0.010 0.000 0.863 148 T HN 0.252 nan 8.240 nan 0.000 0.428 149 I N 1.850 122.359 120.570 -0.100 0.000 2.208 149 I HA -0.205 3.965 4.170 0.000 0.000 0.245 149 I C 3.102 179.158 176.117 -0.102 0.000 1.097 149 I CA 1.256 62.480 61.300 -0.127 0.000 1.363 149 I CB -0.603 37.275 38.000 -0.203 0.000 1.051 149 I HN 0.285 nan 8.210 nan 0.000 0.413 150 A N 0.662 123.425 122.820 -0.095 0.000 1.933 150 A HA -0.162 4.158 4.320 0.000 0.000 0.218 150 A C 2.532 180.079 177.584 -0.062 0.000 1.175 150 A CA 1.850 53.840 52.037 -0.078 0.000 0.628 150 A CB -0.745 18.213 19.000 -0.071 0.000 0.814 150 A HN 0.446 nan 8.150 nan 0.000 0.444 151 A N -0.336 122.457 122.820 -0.047 0.000 1.930 151 A HA -0.123 4.197 4.320 0.000 0.000 0.217 151 A C 2.232 179.802 177.584 -0.023 0.000 1.175 151 A CA 1.439 53.457 52.037 -0.032 0.000 0.627 151 A CB -0.424 18.569 19.000 -0.010 0.000 0.815 151 A HN 0.544 nan 8.150 nan 0.000 0.443 152 R N -1.080 119.421 120.500 0.001 0.000 2.073 152 R HA -0.110 4.230 4.340 0.000 0.000 0.234 152 R C 2.290 178.587 176.300 -0.005 0.000 1.134 152 R CA 1.718 57.865 56.100 0.078 0.000 0.952 152 R CB -0.376 29.910 30.300 -0.024 0.000 0.850 152 R HN 0.429 nan 8.270 nan 0.000 0.433 153 M N 0.572 120.130 119.600 -0.071 0.000 2.080 153 M HA -0.177 4.303 4.480 0.000 0.000 0.260 153 M C 2.066 178.264 176.300 -0.171 0.000 1.068 153 M CA 1.806 57.037 55.300 -0.115 0.000 1.109 153 M CB -0.832 31.725 32.600 -0.072 0.000 1.342 153 M HN 0.138 nan 8.290 nan 0.000 0.405 154 R N -0.193 120.228 120.500 -0.132 0.000 2.237 154 R HA -0.112 4.228 4.340 0.000 0.000 0.219 154 R C 1.543 177.714 176.300 -0.216 0.000 1.080 154 R CA 1.263 57.275 56.100 -0.146 0.000 0.995 154 R CB -0.525 29.722 30.300 -0.088 0.000 0.875 154 R HN 0.378 nan 8.270 nan 0.000 0.462 155 D N 0.420 120.646 120.400 -0.291 0.000 2.234 155 D HA -0.084 4.556 4.640 0.000 0.000 0.205 155 D C 1.531 177.195 176.300 -1.060 0.000 0.962 155 D CA 0.416 54.114 54.000 -0.503 0.000 0.855 155 D CB 0.317 40.842 40.800 -0.460 0.000 0.951 155 D HN 0.041 nan 8.370 nan 0.000 0.500 156 V N -0.305 118.966 119.914 -1.073 0.000 3.406 156 V HA 0.218 4.338 4.120 0.000 0.000 0.263 156 V C 2.038 177.705 176.094 -0.710 0.000 1.172 156 V CA 1.099 62.523 62.300 -1.460 0.000 1.140 156 V CB -0.228 30.776 31.823 -1.364 0.000 0.784 156 V HN 0.276 nan 8.190 nan 0.000 0.467 157 A N -0.002 122.584 122.820 -0.389 0.000 2.032 157 A HA -0.168 4.152 4.320 0.000 0.000 0.221 157 A C 2.052 179.645 177.584 0.015 0.000 1.165 157 A CA 2.044 54.002 52.037 -0.131 0.000 0.645 157 A CB -0.399 18.544 19.000 -0.095 0.000 0.807 157 A HN 0.579 nan 8.150 nan 0.000 0.453 158 L N -2.517 118.743 121.223 0.062 0.000 2.131 158 L HA -0.131 4.209 4.340 0.000 0.000 0.206 158 L C 2.558 179.769 176.870 0.568 0.000 1.087 158 L CA 0.640 55.671 54.840 0.318 0.000 0.767 158 L CB -0.485 41.788 42.059 0.356 0.000 0.917 158 L HN 0.557 nan 8.230 nan 0.000 0.441 159 W N 0.789 122.191 121.300 0.171 0.000 2.379 159 W HA -0.112 4.548 4.660 0.000 0.000 0.307 159 W C 2.682 179.458 176.519 0.429 0.000 1.200 159 W CA 0.258 57.773 57.345 0.283 0.000 1.297 159 W CB -1.217 28.172 29.460 -0.118 0.000 1.140 159 W HN 0.163 nan 8.180 nan 0.000 0.507 160 Q N 0.457 120.504 119.800 0.412 0.000 2.062 160 Q HA -0.242 4.098 4.340 0.000 0.000 0.209 160 Q C 2.308 178.530 176.000 0.370 0.000 0.996 160 Q CA 1.880 57.934 55.803 0.418 0.000 0.859 160 Q CB -0.564 28.333 28.738 0.265 0.000 0.920 160 Q HN 0.045 nan 8.270 nan 0.000 0.415 161 K N 0.453 121.020 120.400 0.278 0.000 2.020 161 K HA -0.220 4.100 4.320 0.000 0.000 0.212 161 K C 1.880 178.576 176.600 0.161 0.000 1.050 161 K CA 1.926 58.313 56.287 0.168 0.000 0.929 161 K CB -0.388 32.175 32.500 0.104 0.000 0.714 161 K HN 0.393 nan 8.250 nan 0.000 0.443 162 H N 0.131 119.324 119.070 0.204 0.000 2.319 162 H HA -0.162 4.394 4.556 0.000 0.000 0.299 162 H C 1.937 177.311 175.328 0.078 0.000 1.092 162 H CA 1.801 57.910 56.048 0.102 0.000 1.302 162 H CB -0.147 29.668 29.762 0.087 0.000 1.373 162 H HN 0.103 nan 8.280 nan 0.000 0.497 163 L N 0.927 122.413 121.223 0.439 0.000 2.013 163 L HA -0.235 4.105 4.340 0.000 0.000 0.212 163 L C 1.447 178.490 176.870 0.288 0.000 1.073 163 L CA 1.952 57.053 54.840 0.435 0.000 0.753 163 L CB -0.470 41.990 42.059 0.669 0.000 0.890 163 L HN 0.223 nan 8.230 nan 0.000 0.432 164 D N -0.767 119.787 120.400 0.257 0.000 2.133 164 D HA -0.221 4.419 4.640 0.000 0.000 0.195 164 D C 2.267 178.625 176.300 0.097 0.000 0.997 164 D CA 2.066 56.162 54.000 0.160 0.000 0.840 164 D CB -0.633 40.258 40.800 0.153 0.000 0.947 164 D HN 0.646 nan 8.370 nan 0.000 0.452 165 T N -0.979 113.625 114.554 0.084 0.000 2.708 165 T HA -0.080 4.270 4.350 0.000 0.000 0.266 165 T C 2.119 176.852 174.700 0.055 0.000 1.037 165 T CA 1.840 63.966 62.100 0.045 0.000 1.146 165 T CB -0.538 68.331 68.868 0.003 0.000 0.865 165 T HN 0.113 nan 8.240 nan 0.000 0.435 166 A N 2.775 125.637 122.820 0.069 0.000 1.873 166 A HA -0.078 4.242 4.320 0.000 0.000 0.218 166 A C 2.550 180.192 177.584 0.096 0.000 1.193 166 A CA 2.357 54.445 52.037 0.085 0.000 0.629 166 A CB -0.872 18.183 19.000 0.091 0.000 0.826 166 A HN 0.507 nan 8.150 nan 0.000 0.447 167 M N 0.297 119.940 119.600 0.070 0.000 2.358 167 M HA -0.089 4.391 4.480 0.000 0.000 0.264 167 M C 2.023 178.333 176.300 0.016 0.000 1.064 167 M CA 1.977 57.278 55.300 0.002 0.000 1.093 167 M CB -1.754 30.785 32.600 -0.103 0.000 1.401 167 M HN 0.758 nan 8.290 nan 0.000 0.440 168 T N -3.276 111.305 114.554 0.045 0.000 3.034 168 T HA 0.064 4.414 4.350 0.000 0.000 0.248 168 T C 1.725 176.472 174.700 0.078 0.000 1.040 168 T CA 0.006 62.138 62.100 0.055 0.000 1.107 168 T CB -0.194 68.698 68.868 0.040 0.000 0.932 168 T HN 0.143 nan 8.240 nan 0.000 0.474 169 M N 1.373 121.017 119.600 0.074 0.000 2.337 169 M HA 0.158 4.638 4.480 0.000 0.000 0.261 169 M C -0.040 176.324 176.300 0.105 0.000 1.067 169 M CA 1.236 56.582 55.300 0.078 0.000 1.074 169 M CB -0.926 31.707 32.600 0.056 0.000 1.395 169 M HN 0.346 nan 8.290 nan 0.000 0.431 170 L N 0.713 122.020 121.223 0.141 0.000 2.448 170 L HA 0.152 4.492 4.340 0.000 0.000 0.257 170 L C 0.074 177.091 176.870 0.246 0.000 1.504 170 L CA -0.491 54.480 54.840 0.218 0.000 0.852 170 L CB 0.847 42.976 42.059 0.117 0.000 1.051 170 L HN -0.154 nan 8.230 nan 0.000 0.518 171 T N 3.873 118.560 114.554 0.223 0.000 2.609 171 T HA 0.022 4.372 4.350 0.000 0.000 0.257 171 T C -1.343 173.437 174.700 0.135 0.000 1.032 171 T CA -0.308 61.880 62.100 0.148 0.000 1.244 171 T CB 0.286 69.209 68.868 0.092 0.000 1.003 171 T HN 0.274 nan 8.240 nan 0.000 0.507 172 P HA 0.185 nan 4.420 nan 0.000 0.269 172 P C -0.790 176.370 177.300 -0.233 0.000 1.601 172 P CA -0.086 62.878 63.100 -0.227 0.000 0.831 172 P CB -0.222 31.254 31.700 -0.373 0.000 1.688 173 D N 0.704 121.055 120.400 -0.083 0.000 2.464 173 D HA 0.273 4.913 4.640 0.000 0.000 0.243 173 D C -0.210 176.074 176.300 -0.026 0.000 1.104 173 D CA -0.160 53.797 54.000 -0.071 0.000 0.883 173 D CB 0.794 41.569 40.800 -0.042 0.000 1.050 173 D HN -0.009 nan 8.370 nan 0.000 0.524 174 I N 2.696 123.231 120.570 -0.058 0.000 2.428 174 I HA 0.059 4.229 4.170 0.000 0.000 0.279 174 I C 1.440 177.539 176.117 -0.030 0.000 1.040 174 I CA -0.262 61.026 61.300 -0.020 0.000 1.171 174 I CB 1.015 39.010 38.000 -0.008 0.000 1.312 174 I HN 0.300 nan 8.210 nan 0.000 0.470 175 S N 3.917 119.610 115.700 -0.012 0.000 2.469 175 S HA 0.091 4.561 4.470 0.000 0.000 0.238 175 S C 0.886 175.483 174.600 -0.004 0.000 0.998 175 S CA 0.373 58.569 58.200 -0.007 0.000 0.957 175 S CB 0.120 63.319 63.200 -0.001 0.000 0.764 175 S HN 0.671 nan 8.310 nan 0.000 0.514 176 A N -0.087 122.731 122.820 -0.004 0.000 2.530 176 A HA 0.703 5.024 4.320 0.000 0.000 0.279 176 A C 0.714 178.297 177.584 -0.001 0.000 1.109 176 A CA -0.209 51.827 52.037 -0.002 0.000 0.763 176 A CB 0.355 19.355 19.000 0.001 0.000 1.257 176 A HN 1.366 nan 8.150 nan 0.000 0.424 177 G N 1.516 110.312 108.800 -0.007 0.000 2.650 177 G HA2 0.225 4.185 3.960 0.000 0.000 0.264 177 G HA3 0.225 4.185 3.960 0.000 0.000 0.264 177 G C 0.227 175.117 174.900 -0.017 0.000 1.263 177 G CA 0.355 45.450 45.100 -0.007 0.000 0.960 177 G HN 2.654 nan 8.290 nan 0.000 0.548 178 S N -0.881 114.815 115.700 -0.007 0.000 2.548 178 S HA 0.879 5.349 4.470 0.000 0.000 0.278 178 S C -0.563 174.049 174.600 0.019 0.000 1.150 178 S CA 0.637 58.827 58.200 -0.017 0.000 0.907 178 S CB 1.414 64.602 63.200 -0.019 0.000 1.108 178 S HN 2.473 nan 8.310 nan 0.000 0.459 179 A N 1.360 124.186 122.820 0.009 0.000 2.380 179 A HA 0.969 5.289 4.320 0.000 0.000 0.315 179 A C -0.318 177.279 177.584 0.022 0.000 1.101 179 A CA -0.864 51.233 52.037 0.101 0.000 0.771 179 A CB 1.997 21.176 19.000 0.299 0.000 1.287 179 A HN 1.197 nan 8.150 nan 0.000 0.436 180 S N -0.739 115.042 115.700 0.135 0.000 2.546 180 S HA 0.660 5.130 4.470 0.000 0.000 0.272 180 S C -1.362 173.359 174.600 0.201 0.000 1.140 180 S CA -0.276 58.002 58.200 0.131 0.000 0.920 180 S CB 1.259 64.497 63.200 0.063 0.000 1.083 180 S HN 1.796 nan 8.310 nan 0.000 0.476 181 C N 3.935 123.350 119.300 0.193 0.000 3.285 181 C HA 0.582 5.042 4.460 0.000 0.000 0.325 181 C C -0.857 174.083 174.990 -0.083 0.000 1.304 181 C CA -0.843 58.174 59.018 -0.001 0.000 1.319 181 C CB 1.229 28.836 27.740 -0.223 0.000 1.640 181 C HN 0.974 nan 8.230 nan 0.000 0.477 182 N N 2.262 120.917 118.700 -0.076 0.000 2.394 182 N HA -0.032 4.708 4.740 0.000 0.000 0.277 182 N C 0.816 176.307 175.510 -0.033 0.000 1.346 182 N CA 0.365 53.393 53.050 -0.036 0.000 0.910 182 N CB 0.120 38.576 38.487 -0.051 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.744 124.951 121.300 -0.154 0.000 2.363 183 W HA -0.204 4.456 4.660 0.000 0.000 0.296 183 W C 1.621 178.058 176.519 -0.138 0.000 1.212 183 W CA 0.228 57.491 57.345 -0.137 0.000 1.260 183 W CB 0.261 29.755 29.460 0.057 0.000 1.131 183 W HN 0.591 nan 8.180 nan 0.000 0.530 184 K N -0.030 120.398 120.400 0.046 0.000 2.020 184 K HA -0.216 4.104 4.320 0.000 0.000 0.212 184 K C 2.001 178.462 176.600 -0.231 0.000 1.050 184 K CA 2.043 58.252 56.287 -0.131 0.000 0.929 184 K CB -0.829 31.598 32.500 -0.122 0.000 0.714 184 K HN -0.018 nan 8.250 nan 0.000 0.443 185 S N 1.630 117.195 115.700 -0.226 0.000 2.368 185 S HA -0.181 4.289 4.470 0.000 0.000 0.226 185 S C 2.060 176.527 174.600 -0.223 0.000 1.044 185 S CA 1.468 59.490 58.200 -0.298 0.000 1.062 185 S CB -0.444 62.627 63.200 -0.214 0.000 0.931 185 S HN 0.158 nan 8.310 nan 0.000 0.440 186 L N 1.109 122.246 121.223 -0.144 0.000 1.970 186 L HA -0.148 4.192 4.340 0.000 0.000 0.212 186 L C 2.368 179.231 176.870 -0.012 0.000 1.071 186 L CA 1.296 56.085 54.840 -0.085 0.000 0.751 186 L CB -0.806 41.130 42.059 -0.204 0.000 0.889 186 L HN 0.262 nan 8.230 nan 0.000 0.432 187 L N -0.400 120.786 121.223 -0.062 0.000 2.051 187 L HA -0.281 4.059 4.340 0.000 0.000 0.214 187 L C 2.790 179.600 176.870 -0.101 0.000 1.076 187 L CA 1.462 56.195 54.840 -0.178 0.000 0.758 187 L CB -0.894 40.925 42.059 -0.400 0.000 0.890 187 L HN 0.324 nan 8.230 nan 0.000 0.433 188 A N -0.933 121.797 122.820 -0.150 0.000 1.929 188 A HA -0.149 4.171 4.320 0.000 0.000 0.216 188 A C 2.233 179.935 177.584 0.197 0.000 1.176 188 A CA 0.944 52.951 52.037 -0.050 0.000 0.628 188 A CB -0.723 18.153 19.000 -0.207 0.000 0.816 188 A HN 0.366 nan 8.150 nan 0.000 0.444 189 F N 0.343 120.188 119.950 -0.176 0.000 2.186 189 F HA -0.142 4.385 4.527 0.000 0.000 0.299 189 F C 2.746 178.616 175.800 0.116 0.000 1.090 189 F CA 0.479 58.552 58.000 0.122 0.000 1.307 189 F CB 0.014 39.022 39.000 0.014 0.000 1.019 189 F HN 0.336 nan 8.300 nan 0.000 0.489 190 A N 0.482 123.418 122.820 0.194 0.000 1.884 190 A HA -0.306 4.014 4.320 0.000 0.000 0.219 190 A C 2.005 179.662 177.584 0.121 0.000 1.197 190 A CA 2.242 54.342 52.037 0.105 0.000 0.637 190 A CB -0.738 18.298 19.000 0.060 0.000 0.827 190 A HN 0.385 nan 8.150 nan 0.000 0.450 191 K N -1.182 119.294 120.400 0.127 0.000 2.432 191 K HA -0.062 4.258 4.320 0.000 0.000 0.196 191 K C 1.218 177.898 176.600 0.133 0.000 1.038 191 K CA 1.004 57.352 56.287 0.101 0.000 0.986 191 K CB -0.038 32.502 32.500 0.066 0.000 0.782 191 K HN 0.559 nan 8.250 nan 0.000 0.485 192 D N 0.183 120.722 120.400 0.232 0.000 2.305 192 D HA -0.024 4.616 4.640 0.000 0.000 0.206 192 D C 1.360 177.774 176.300 0.191 0.000 0.974 192 D CA 0.645 54.770 54.000 0.210 0.000 0.871 192 D CB 0.432 41.401 40.800 0.282 0.000 0.947 192 D HN -0.042 nan 8.370 nan 0.000 0.516 193 I N 0.155 120.857 120.570 0.220 0.000 3.300 193 I HA 0.144 4.314 4.170 0.000 0.000 0.279 193 I C 0.883 177.052 176.117 0.087 0.000 1.172 193 I CA 0.082 61.476 61.300 0.157 0.000 1.431 193 I CB -0.882 37.201 38.000 0.139 0.000 1.240 193 I HN -0.016 nan 8.210 nan 0.000 0.453 194 L N 3.173 124.438 121.223 0.070 0.000 2.514 194 L HA 0.053 4.393 4.340 0.000 0.000 0.280 194 L C -1.932 174.955 176.870 0.029 0.000 1.223 194 L CA -1.163 53.702 54.840 0.041 0.000 0.864 194 L CB -0.292 41.785 42.059 0.031 0.000 1.118 194 L HN -0.088 nan 8.230 nan 0.000 0.494 195 P HA 0.052 nan 4.420 nan 0.000 0.267 195 P C 0.677 177.985 177.300 0.012 0.000 1.209 195 P CA -0.115 62.998 63.100 0.021 0.000 0.763 195 P CB 0.673 32.387 31.700 0.023 0.000 0.816 196 L N 2.352 123.578 121.223 0.005 0.000 2.051 196 L HA -0.251 4.089 4.340 0.000 0.000 0.214 196 L C 1.642 178.504 176.870 -0.012 0.000 1.076 196 L CA 1.746 56.581 54.840 -0.010 0.000 0.758 196 L CB -0.606 41.447 42.059 -0.010 0.000 0.890 196 L HN 0.461 nan 8.230 nan 0.000 0.433 197 D N -0.421 119.986 120.400 0.011 0.000 2.351 197 D HA -0.088 4.552 4.640 0.000 0.000 0.216 197 D C 0.439 176.780 176.300 0.069 0.000 0.968 197 D CA 0.449 54.467 54.000 0.030 0.000 0.899 197 D CB -0.519 40.307 40.800 0.043 0.000 0.907 197 D HN 0.423 nan 8.370 nan 0.000 0.514 198 N N 0.709 119.455 118.700 0.075 0.000 2.454 198 N HA -0.001 4.739 4.740 0.000 0.000 0.254 198 N C 1.373 176.811 175.510 -0.120 0.000 1.228 198 N CA -0.035 53.090 53.050 0.124 0.000 0.900 198 N CB 0.801 39.347 38.487 0.098 0.000 1.089 198 N HN 0.015 nan 8.380 nan 0.000 0.449 199 L N 0.494 121.453 121.223 -0.440 0.000 2.191 199 L HA -0.212 4.128 4.340 0.000 0.000 0.212 199 L C 1.725 178.394 176.870 -0.335 0.000 1.103 199 L CA 0.708 55.273 54.840 -0.459 0.000 0.769 199 L CB -0.345 41.402 42.059 -0.519 0.000 0.908 199 L HN 0.709 nan 8.230 nan 0.000 0.438 200 C N -0.278 118.699 119.300 -0.538 0.000 2.425 200 C HA -0.146 4.314 4.460 0.000 0.000 0.277 200 C C 2.559 177.416 174.990 -0.222 0.000 1.280 200 C CA 0.339 59.039 59.018 -0.530 0.000 1.744 200 C CB -0.770 26.683 27.740 -0.478 0.000 1.989 200 C HN 0.415 nan 8.230 nan 0.000 0.491 201 L N 1.271 122.375 121.223 -0.199 0.000 2.313 201 L HA -0.041 4.299 4.340 0.000 0.000 0.214 201 L C 2.716 179.446 176.870 -0.234 0.000 1.119 201 L CA 1.952 56.694 54.840 -0.163 0.000 0.809 201 L CB -1.058 40.933 42.059 -0.113 0.000 0.933 201 L HN 0.497 nan 8.230 nan 0.000 0.449 202 T N -3.803 110.494 114.554 -0.427 0.000 2.851 202 T HA -0.155 4.195 4.350 0.000 0.000 0.262 202 T C 1.098 175.338 174.700 -0.766 0.000 1.043 202 T CA 0.971 62.628 62.100 -0.738 0.000 1.140 202 T CB -0.505 67.607 68.868 -1.260 0.000 0.872 202 T HN 0.281 nan 8.240 nan 0.000 0.446 203 Y N 1.774 122.131 120.300 0.094 0.000 2.781 203 Y HA 0.347 4.897 4.550 0.000 0.000 0.326 203 Y C -1.712 174.344 175.900 0.259 0.000 1.019 203 Y CA -2.742 55.453 58.100 0.159 0.000 1.372 203 Y CB 0.389 38.918 38.460 0.115 0.000 1.260 203 Y HN 0.231 nan 8.280 nan 0.000 0.546 204 P HA -0.228 nan 4.420 nan 0.000 0.215 204 P C 1.043 178.447 177.300 0.174 0.000 1.163 204 P CA 1.717 64.892 63.100 0.125 0.000 0.894 204 P CB 0.352 32.047 31.700 -0.008 0.000 0.791 205 N N -1.104 117.645 118.700 0.082 0.000 2.036 205 N HA -0.196 4.544 4.740 0.000 0.000 0.195 205 N C 1.748 177.295 175.510 0.061 0.000 1.037 205 N CA 1.411 54.470 53.050 0.015 0.000 0.855 205 N CB -0.330 38.124 38.487 -0.055 0.000 1.033 205 N HN 0.080 nan 8.380 nan 0.000 0.423 206 E N -0.057 120.194 120.200 0.085 0.000 2.031 206 E HA -0.170 4.180 4.350 0.000 0.000 0.193 206 E C 2.011 178.708 176.600 0.161 0.000 0.994 206 E CA 1.009 57.436 56.400 0.046 0.000 0.800 206 E CB -0.528 29.108 29.700 -0.106 0.000 0.752 206 E HN 0.461 nan 8.360 nan 0.000 0.447 207 F N -0.057 120.014 119.950 0.202 0.000 2.126 207 F HA -0.253 4.274 4.527 0.000 0.000 0.299 207 F C 2.496 178.470 175.800 0.290 0.000 1.096 207 F CA 1.262 59.422 58.000 0.267 0.000 1.255 207 F CB -0.402 38.742 39.000 0.239 0.000 0.997 207 F HN 0.076 nan 8.300 nan 0.000 0.479 208 Y N 0.878 121.374 120.300 0.328 0.000 2.145 208 Y HA -0.330 4.220 4.550 0.000 0.000 0.286 208 Y C 2.364 178.394 175.900 0.216 0.000 1.145 208 Y CA 2.047 60.295 58.100 0.247 0.000 1.148 208 Y CB -0.693 37.865 38.460 0.163 0.000 0.981 208 Y HN 0.032 nan 8.280 nan 0.000 0.507 209 N N -0.338 118.538 118.700 0.293 0.000 2.036 209 N HA -0.228 4.512 4.740 0.000 0.000 0.195 209 N C 1.690 177.077 175.510 -0.205 0.000 1.037 209 N CA 2.354 55.418 53.050 0.023 0.000 0.855 209 N CB -0.518 37.925 38.487 -0.074 0.000 1.033 209 N HN 0.230 nan 8.380 nan 0.000 0.423 210 V N 0.799 120.724 119.914 0.019 0.000 2.233 210 V HA -0.265 3.855 4.120 0.000 0.000 0.247 210 V C 2.426 178.515 176.094 -0.007 0.000 1.050 210 V CA 2.032 64.350 62.300 0.030 0.000 1.010 210 V CB -1.452 30.391 31.823 0.033 0.000 0.637 210 V HN 0.502 nan 8.190 nan 0.000 0.444 211 A N 0.176 123.086 122.820 0.150 0.000 1.896 211 A HA -0.303 4.017 4.320 0.000 0.000 0.220 211 A C 2.124 179.750 177.584 0.070 0.000 1.206 211 A CA 2.689 54.875 52.037 0.249 0.000 0.647 211 A CB -0.808 18.443 19.000 0.419 0.000 0.828 211 A HN 0.479 nan 8.150 nan 0.000 0.455 212 I N -0.760 119.775 120.570 -0.058 0.000 2.264 212 I HA -0.234 3.936 4.170 0.000 0.000 0.248 212 I C 2.203 178.296 176.117 -0.040 0.000 1.111 212 I CA 1.475 62.720 61.300 -0.093 0.000 1.382 212 I CB -0.471 37.440 38.000 -0.149 0.000 1.060 212 I HN 0.396 nan 8.210 nan 0.000 0.418 213 H N -0.695 118.326 119.070 -0.082 0.000 2.495 213 H HA 0.043 4.599 4.556 0.000 0.000 0.287 213 H C 2.292 177.477 175.328 -0.238 0.000 1.033 213 H CA 0.922 56.899 56.048 -0.120 0.000 1.307 213 H CB -0.043 29.651 29.762 -0.114 0.000 1.401 213 H HN 0.315 nan 8.280 nan 0.000 0.555 214 R N -0.302 120.008 120.500 -0.316 0.000 2.146 214 R HA 0.027 4.367 4.340 0.000 0.000 0.206 214 R C -0.138 175.769 176.300 -0.655 0.000 1.049 214 R CA 0.238 55.965 56.100 -0.622 0.000 1.029 214 R CB 0.486 30.236 30.300 -0.917 0.000 0.949 214 R HN 0.127 nan 8.270 nan 0.000 0.471 215 Y N 0.375 120.642 120.300 -0.056 0.000 2.700 215 Y HA 0.326 4.876 4.550 0.000 0.000 0.333 215 Y C -1.912 173.869 175.900 -0.199 0.000 1.036 215 Y CA -2.744 55.286 58.100 -0.116 0.000 1.287 215 Y CB 1.350 39.747 38.460 -0.105 0.000 1.132 215 Y HN 0.078 nan 8.280 nan 0.000 0.510 216 P HA -0.240 nan 4.420 nan 0.000 0.219 216 P C 1.466 178.403 177.300 -0.605 0.000 1.146 216 P CA 1.664 64.365 63.100 -0.666 0.000 0.808 216 P CB 0.314 31.617 31.700 -0.662 0.000 0.779 217 A N -1.367 121.266 122.820 -0.312 0.000 2.186 217 A HA -0.088 4.232 4.320 0.000 0.000 0.219 217 A C 0.871 178.271 177.584 -0.307 0.000 1.159 217 A CA 1.127 52.996 52.037 -0.279 0.000 0.680 217 A CB -1.013 17.835 19.000 -0.254 0.000 0.787 217 A HN 0.185 nan 8.150 nan 0.000 0.467 218 L N -1.131 119.962 121.223 -0.217 0.000 2.386 218 L HA 0.570 4.910 4.340 0.000 0.000 0.271 218 L C -0.628 176.237 176.870 -0.008 0.000 0.993 218 L CA -0.956 53.798 54.840 -0.143 0.000 0.819 218 L CB 2.130 44.166 42.059 -0.037 0.000 1.294 218 L HN -0.116 nan 8.230 nan 0.000 0.414 219 K N 2.993 123.464 120.400 0.119 0.000 2.259 219 K HA 0.535 4.855 4.320 0.000 0.000 0.249 219 K C -2.534 174.150 176.600 0.140 0.000 0.942 219 K CA -1.903 54.456 56.287 0.119 0.000 0.816 219 K CB 1.757 34.324 32.500 0.112 0.000 1.155 219 K HN 0.182 nan 8.250 nan 0.000 0.428 220 P HA -0.037 nan 4.420 nan 0.000 0.265 220 P C 0.552 177.816 177.300 -0.060 0.000 1.193 220 P CA 0.211 63.157 63.100 -0.256 0.000 0.765 220 P CB 0.777 31.801 31.700 -1.127 0.000 0.823 221 G N 4.178 113.024 108.800 0.077 0.000 4.033 221 G HA2 -0.332 3.628 3.960 0.000 0.000 0.243 221 G HA3 -0.332 3.628 3.960 0.000 0.000 0.243 221 G C 0.805 175.702 174.900 -0.004 0.000 0.867 221 G CA 1.542 46.647 45.100 0.008 0.000 0.718 221 G HN 0.780 nan 8.290 nan 0.000 1.461 222 N N 1.217 119.921 118.700 0.007 0.000 2.299 222 N HA 0.157 4.897 4.740 0.000 0.000 0.246 222 N C -1.118 174.408 175.510 0.026 0.000 1.254 222 N CA -0.025 53.033 53.050 0.013 0.000 0.879 222 N CB 0.667 39.162 38.487 0.014 0.000 1.214 222 N HN 0.313 nan 8.380 nan 0.000 0.510 223 P HA -0.094 nan 4.420 nan 0.000 0.216 223 P C -0.536 176.795 177.300 0.052 0.000 1.157 223 P CA 1.475 64.619 63.100 0.072 0.000 0.880 223 P CB 0.170 31.907 31.700 0.062 0.000 0.791 224 D N -1.048 119.366 120.400 0.023 0.000 2.420 224 D HA 0.128 4.768 4.640 0.000 0.000 0.255 224 D C 0.642 176.948 176.300 0.010 0.000 1.185 224 D CA -0.202 53.808 54.000 0.018 0.000 0.904 224 D CB 1.185 41.995 40.800 0.016 0.000 1.102 224 D HN -0.105 nan 8.370 nan 0.000 0.534 225 T N 1.283 115.844 114.554 0.012 0.000 2.869 225 T HA -0.207 4.143 4.350 0.000 0.000 0.270 225 T C 1.811 176.516 174.700 0.009 0.000 1.082 225 T CA 1.260 63.366 62.100 0.010 0.000 1.123 225 T CB 0.212 69.086 68.868 0.010 0.000 0.856 225 T HN 0.372 nan 8.240 nan 0.000 0.499 226 K N 0.486 120.891 120.400 0.008 0.000 2.032 226 K HA -0.097 4.223 4.320 0.000 0.000 0.218 226 K C 0.545 177.148 176.600 0.005 0.000 1.054 226 K CA 1.112 57.403 56.287 0.007 0.000 0.941 226 K CB -0.170 32.334 32.500 0.006 0.000 0.720 226 K HN 0.309 nan 8.250 nan 0.000 0.449 227 L N 0.494 121.719 121.223 0.003 0.000 2.490 227 L HA 0.223 4.563 4.340 0.000 0.000 0.256 227 L C -2.108 174.759 176.870 -0.006 0.000 1.089 227 L CA -1.186 53.653 54.840 -0.001 0.000 0.916 227 L CB 1.954 44.011 42.059 -0.004 0.000 1.188 227 L HN 0.042 nan 8.230 nan 0.000 0.476 228 P HA 0.063 nan 4.420 nan 0.000 0.234 228 P C -0.216 177.080 177.300 -0.006 0.000 1.175 228 P CA 0.493 63.584 63.100 -0.015 0.000 0.801 228 P CB 0.755 32.457 31.700 0.003 0.000 0.891 229 D N 0.335 120.742 120.400 0.011 0.000 2.181 229 D HA 0.525 5.165 4.640 0.000 0.000 0.248 229 D C -0.260 176.042 176.300 0.003 0.000 1.020 229 D CA -0.165 53.852 54.000 0.028 0.000 0.891 229 D CB 2.497 43.317 40.800 0.034 0.000 1.187 229 D HN 0.027 nan 8.370 nan 0.000 0.443 230 A N 1.024 123.847 122.820 0.006 0.000 2.594 230 A HA 0.326 4.646 4.320 0.000 0.000 0.291 230 A C 0.085 177.584 177.584 -0.142 0.000 1.105 230 A CA -0.464 51.516 52.037 -0.096 0.000 0.694 230 A CB 2.181 21.061 19.000 -0.200 0.000 1.291 230 A HN 0.348 nan 8.150 nan 0.000 0.410 231 Q N -0.400 119.277 119.800 -0.205 0.000 2.392 231 Q HA 0.265 4.605 4.340 0.000 0.000 0.219 231 Q C 0.637 176.453 176.000 -0.308 0.000 0.895 231 Q CA 1.005 56.714 55.803 -0.157 0.000 0.929 231 Q CB 0.730 29.441 28.738 -0.046 0.000 1.077 231 Q HN 0.858 nan 8.270 nan 0.000 0.532 232 A N 1.553 124.123 122.820 -0.417 0.000 2.260 232 A HA 0.489 4.809 4.320 0.000 0.000 0.308 232 A C -0.370 176.856 177.584 -0.597 0.000 1.254 232 A CA -0.368 51.446 52.037 -0.372 0.000 0.874 232 A CB 0.269 19.157 19.000 -0.186 0.000 1.153 232 A HN 0.154 nan 8.150 nan 0.000 0.527 233 H N 1.747 120.804 119.070 -0.023 0.000 3.779 233 H HA 0.478 5.034 4.556 0.000 0.000 0.320 233 H C -1.945 173.364 175.328 -0.033 0.000 1.666 233 H CA -1.318 54.720 56.048 -0.017 0.000 1.439 233 H CB -0.434 29.315 29.762 -0.022 0.000 1.281 233 H HN 0.425 nan 8.280 nan 0.000 0.809 234 P HA 0.049 nan 4.420 nan 0.000 0.342 234 P C 1.129 178.428 177.300 -0.002 0.000 1.384 234 P CA -0.428 62.667 63.100 -0.007 0.000 0.837 234 P CB 0.623 32.289 31.700 -0.056 0.000 2.025 235 L N -0.272 120.938 121.223 -0.021 0.000 2.027 235 L HA 0.023 4.363 4.340 0.000 0.000 0.206 235 L C 2.156 179.033 176.870 0.012 0.000 1.074 235 L CA 2.451 57.291 54.840 -0.000 0.000 0.745 235 L CB -1.764 40.302 42.059 0.012 0.000 0.898 235 L HN 0.473 nan 8.230 nan 0.000 0.433 236 G N -0.599 108.202 108.800 0.003 0.000 3.376 236 G HA2 -0.537 3.423 3.960 0.000 0.000 0.310 236 G HA3 -0.537 3.423 3.960 0.000 0.000 0.310 236 G C 1.213 176.121 174.900 0.013 0.000 1.137 236 G CA 1.579 46.679 45.100 0.001 0.000 1.061 236 G HN 0.483 nan 8.290 nan 0.000 1.152 237 E N -0.725 119.479 120.200 0.007 0.000 2.689 237 E HA -0.350 4.000 4.350 0.000 0.000 0.247 237 E C 2.293 178.877 176.600 -0.027 0.000 1.031 237 E CA 2.396 58.795 56.400 -0.001 0.000 1.400 237 E CB -1.272 28.437 29.700 0.015 0.000 1.296 237 E HN 0.533 nan 8.360 nan 0.000 0.475 238 V N 0.439 120.342 119.914 -0.019 0.000 2.218 238 V HA -0.370 3.750 4.120 0.000 0.000 0.251 238 V C 2.126 178.237 176.094 0.029 0.000 1.057 238 V CA 3.106 65.385 62.300 -0.034 0.000 1.022 238 V CB -0.923 30.920 31.823 0.033 0.000 0.645 238 V HN 0.513 nan 8.190 nan 0.000 0.451 239 A N -0.424 122.478 122.820 0.138 0.000 1.986 239 A HA -0.137 4.183 4.320 0.000 0.000 0.220 239 A C 2.303 179.996 177.584 0.181 0.000 1.171 239 A CA 2.255 54.423 52.037 0.220 0.000 0.640 239 A CB -1.419 17.667 19.000 0.144 0.000 0.811 239 A HN 0.829 nan 8.150 nan 0.000 0.451 240 G N -0.774 108.071 108.800 0.075 0.000 2.402 240 G HA2 0.062 4.022 3.960 0.000 0.000 0.216 240 G HA3 0.062 4.022 3.960 0.000 0.000 0.216 240 G C 1.740 176.654 174.900 0.023 0.000 1.162 240 G CA 1.199 46.325 45.100 0.043 0.000 0.777 240 G HN 0.824 nan 8.290 nan 0.000 0.539 241 A N 0.602 123.385 122.820 -0.062 0.000 1.948 241 A HA 0.017 4.337 4.320 0.000 0.000 0.220 241 A C 2.093 179.640 177.584 -0.061 0.000 1.177 241 A CA 1.513 53.463 52.037 -0.145 0.000 0.636 241 A CB -0.578 18.232 19.000 -0.318 0.000 0.815 241 A HN 0.310 nan 8.150 nan 0.000 0.449 242 F N 0.564 120.515 119.950 0.002 0.000 2.293 242 F HA -0.067 4.460 4.527 0.000 0.000 0.300 242 F C 2.103 177.904 175.800 0.003 0.000 1.086 242 F CA 1.041 59.043 58.000 0.003 0.000 1.375 242 F CB -0.386 38.616 39.000 0.004 0.000 1.045 242 F HN 0.289 nan 8.300 nan 0.000 0.516 243 N N 0.225 119.040 118.700 0.193 0.000 2.463 243 N HA 0.105 4.845 4.740 0.000 0.000 0.181 243 N C 0.618 176.167 175.510 0.065 0.000 1.078 243 N CA 0.424 53.536 53.050 0.103 0.000 0.902 243 N CB 0.106 38.640 38.487 0.079 0.000 0.970 243 N HN 0.093 nan 8.380 nan 0.000 0.451 244 A N 1.179 124.033 122.820 0.056 0.000 2.320 244 A HA 0.571 4.891 4.320 0.000 0.000 0.287 244 A C 0.367 177.967 177.584 0.027 0.000 1.181 244 A CA -0.536 51.517 52.037 0.026 0.000 0.831 244 A CB 0.330 19.331 19.000 0.002 0.000 1.102 244 A HN 0.215 nan 8.150 nan 0.000 0.513 245 A N 3.247 126.079 122.820 0.019 0.000 2.566 245 A HA 0.470 4.790 4.320 0.000 0.000 0.245 245 A C 1.022 178.614 177.584 0.013 0.000 1.056 245 A CA 0.818 52.866 52.037 0.017 0.000 0.757 245 A CB -0.540 18.467 19.000 0.011 0.000 0.979 245 A HN 1.526 nan 8.150 nan 0.000 0.508 246 T N -0.494 114.070 114.554 0.017 0.000 2.937 246 T HA 0.469 4.819 4.350 0.000 0.000 0.283 246 T C 1.382 176.089 174.700 0.010 0.000 1.012 246 T CA 0.009 62.117 62.100 0.014 0.000 0.997 246 T CB 0.962 69.842 68.868 0.021 0.000 1.136 246 T HN 1.101 nan 8.240 nan 0.000 0.551 247 S N 0.470 116.174 115.700 0.008 0.000 2.407 247 S HA -0.198 4.272 4.470 0.000 0.000 0.235 247 S C 1.160 175.764 174.600 0.007 0.000 1.036 247 S CA 1.623 59.827 58.200 0.006 0.000 1.013 247 S CB -0.655 62.548 63.200 0.004 0.000 0.820 247 S HN 0.861 nan 8.310 nan 0.000 0.476 248 E N -0.550 119.656 120.200 0.010 0.000 2.441 248 E HA 0.449 4.799 4.350 0.000 0.000 0.212 248 E C -0.212 176.396 176.600 0.013 0.000 0.840 248 E CA -0.087 56.320 56.400 0.011 0.000 1.143 248 E CB 0.717 30.423 29.700 0.009 0.000 1.153 248 E HN 0.272 nan 8.360 nan 0.000 0.539 249 V N 0.670 120.594 119.914 0.017 0.000 2.628 249 V HA 0.552 4.672 4.120 0.000 0.000 0.306 249 V C 1.098 177.204 176.094 0.020 0.000 1.045 249 V CA -0.218 62.094 62.300 0.020 0.000 0.905 249 V CB 1.617 33.455 31.823 0.024 0.000 0.997 249 V HN 0.297 nan 8.190 nan 0.000 0.436 250 G N 3.480 112.291 108.800 0.018 0.000 2.887 250 G HA2 -0.123 3.837 3.960 0.000 0.000 0.189 250 G HA3 -0.123 3.837 3.960 0.000 0.000 0.189 250 G C 0.612 175.528 174.900 0.027 0.000 1.467 250 G CA 1.012 46.123 45.100 0.019 0.000 0.818 250 G HN 0.918 nan 8.290 nan 0.000 0.641 251 S N -0.808 114.909 115.700 0.027 0.000 2.449 251 S HA 0.437 4.907 4.470 0.000 0.000 0.310 251 S C 1.250 175.871 174.600 0.035 0.000 1.096 251 S CA -0.779 57.443 58.200 0.037 0.000 1.095 251 S CB 1.342 64.561 63.200 0.031 0.000 1.007 251 S HN 0.225 nan 8.310 nan 0.000 0.474 252 L N 5.798 127.053 121.223 0.053 0.000 1.989 252 L HA -0.117 4.223 4.340 0.000 0.000 0.211 252 L C 2.862 179.730 176.870 -0.002 0.000 1.071 252 L CA 2.255 57.120 54.840 0.042 0.000 0.749 252 L CB -1.155 40.963 42.059 0.098 0.000 0.890 252 L HN 0.811 nan 8.230 nan 0.000 0.431 253 V N -2.055 117.851 119.914 -0.013 0.000 2.324 253 V HA -0.196 3.924 4.120 0.000 0.000 0.250 253 V C 2.348 178.430 176.094 -0.020 0.000 1.060 253 V CA 1.937 64.213 62.300 -0.040 0.000 1.042 253 V CB -1.929 29.868 31.823 -0.045 0.000 0.650 253 V HN 0.399 nan 8.190 nan 0.000 0.450 254 G N 1.239 110.038 108.800 -0.001 0.000 2.679 254 G HA2 -0.375 3.585 3.960 0.000 0.000 0.217 254 G HA3 -0.375 3.585 3.960 0.000 0.000 0.217 254 G C 1.891 176.791 174.900 0.000 0.000 1.267 254 G CA 2.651 47.753 45.100 0.003 0.000 0.799 254 G HN 0.965 nan 8.290 nan 0.000 0.606 255 S N 0.059 115.762 115.700 0.004 0.000 2.387 255 S HA -0.184 4.286 4.470 0.000 0.000 0.230 255 S C 2.415 177.015 174.600 -0.001 0.000 1.035 255 S CA 2.047 60.250 58.200 0.005 0.000 1.014 255 S CB -0.658 62.547 63.200 0.009 0.000 0.836 255 S HN 0.422 nan 8.310 nan 0.000 0.466 256 S N 1.489 117.183 115.700 -0.009 0.000 2.348 256 S HA -0.106 4.364 4.470 0.000 0.000 0.221 256 S C 2.123 176.713 174.600 -0.018 0.000 1.033 256 S CA 1.581 59.770 58.200 -0.018 0.000 1.010 256 S CB -0.988 62.190 63.200 -0.038 0.000 0.891 256 S HN 0.636 nan 8.310 nan 0.000 0.442 257 S N 0.977 116.665 115.700 -0.019 0.000 2.359 257 S HA -0.137 4.333 4.470 0.000 0.000 0.223 257 S C 2.037 176.634 174.600 -0.006 0.000 1.039 257 S CA 1.997 60.188 58.200 -0.014 0.000 1.042 257 S CB -1.222 61.969 63.200 -0.014 0.000 0.915 257 S HN 0.748 nan 8.310 nan 0.000 0.439 258 T N 3.249 117.802 114.554 -0.002 0.000 2.580 258 T HA -0.124 4.226 4.350 0.000 0.000 0.265 258 T C 1.839 176.542 174.700 0.005 0.000 1.063 258 T CA 1.625 63.728 62.100 0.004 0.000 1.170 258 T CB -0.813 68.059 68.868 0.006 0.000 0.863 258 T HN 0.237 nan 8.240 nan 0.000 0.418 259 L N 0.864 122.089 121.223 0.005 0.000 2.043 259 L HA -0.152 4.188 4.340 0.000 0.000 0.212 259 L C 2.942 179.815 176.870 0.005 0.000 1.075 259 L CA 1.239 56.084 54.840 0.007 0.000 0.752 259 L CB -0.742 41.321 42.059 0.006 0.000 0.891 259 L HN 0.223 nan 8.230 nan 0.000 0.432 260 S N -0.805 114.894 115.700 -0.001 0.000 2.368 260 S HA -0.230 4.240 4.470 0.000 0.000 0.225 260 S C 1.958 176.557 174.600 -0.001 0.000 1.030 260 S CA 1.232 59.430 58.200 -0.003 0.000 0.999 260 S CB -0.242 62.952 63.200 -0.010 0.000 0.844 260 S HN 0.462 nan 8.310 nan 0.000 0.459 261 Q N 0.785 120.585 119.800 0.001 0.000 2.096 261 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 261 Q C 2.519 178.523 176.000 0.008 0.000 0.982 261 Q CA 1.486 57.291 55.803 0.004 0.000 0.850 261 Q CB -0.419 28.322 28.738 0.005 0.000 0.901 261 Q HN 0.610 nan 8.270 nan 0.000 0.422 262 A N 1.189 124.016 122.820 0.011 0.000 1.858 262 A HA -0.205 4.115 4.320 0.000 0.000 0.216 262 A C 2.081 179.674 177.584 0.015 0.000 1.190 262 A CA 1.359 53.406 52.037 0.016 0.000 0.617 262 A CB -0.792 18.220 19.000 0.020 0.000 0.827 262 A HN 0.300 nan 8.150 nan 0.000 0.443 263 I N 0.773 121.350 120.570 0.010 0.000 2.074 263 I HA -0.371 3.799 4.170 0.000 0.000 0.238 263 I C 2.950 179.069 176.117 0.003 0.000 1.037 263 I CA 2.188 63.492 61.300 0.007 0.000 1.301 263 I CB -0.488 37.515 38.000 0.004 0.000 1.016 263 I HN 0.533 nan 8.210 nan 0.000 0.400 264 S N 0.083 115.783 115.700 0.001 0.000 2.419 264 S HA -0.195 4.275 4.470 0.000 0.000 0.233 264 S C 2.038 176.636 174.600 -0.003 0.000 1.016 264 S CA 1.558 59.757 58.200 -0.002 0.000 0.974 264 S CB -1.259 61.939 63.200 -0.003 0.000 0.786 264 S HN 0.640 nan 8.310 nan 0.000 0.492 265 T N -0.428 114.128 114.554 0.003 0.000 2.821 265 T HA -0.013 4.337 4.350 0.000 0.000 0.267 265 T C 1.723 176.425 174.700 0.004 0.000 1.046 265 T CA 1.327 63.431 62.100 0.006 0.000 1.139 265 T CB -0.569 68.309 68.868 0.017 0.000 0.871 265 T HN 0.243 nan 8.240 nan 0.000 0.454 266 M N 2.157 121.761 119.600 0.007 0.000 2.108 266 M HA 0.175 4.655 4.480 0.000 0.000 0.261 266 M C 2.665 178.958 176.300 -0.011 0.000 1.066 266 M CA 1.322 56.624 55.300 0.004 0.000 1.107 266 M CB -1.167 31.438 32.600 0.009 0.000 1.356 266 M HN 0.449 nan 8.290 nan 0.000 0.406 267 A N -0.686 122.127 122.820 -0.012 0.000 1.917 267 A HA -0.096 4.224 4.320 0.000 0.000 0.219 267 A C 2.356 179.920 177.584 -0.032 0.000 1.182 267 A CA 2.033 54.058 52.037 -0.019 0.000 0.633 267 A CB -1.662 17.330 19.000 -0.014 0.000 0.819 267 A HN 0.558 nan 8.150 nan 0.000 0.448 268 G N -1.016 107.764 108.800 -0.033 0.000 2.421 268 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 268 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 268 G C 1.584 176.434 174.900 -0.083 0.000 1.143 268 G CA 0.998 46.069 45.100 -0.048 0.000 0.784 268 G HN 0.556 nan 8.290 nan 0.000 0.541 269 K N 0.152 120.506 120.400 -0.078 0.000 2.283 269 K HA -0.093 4.227 4.320 0.000 0.000 0.202 269 K C 0.791 177.303 176.600 -0.147 0.000 1.048 269 K CA 0.728 56.937 56.287 -0.130 0.000 0.948 269 K CB -0.077 32.383 32.500 -0.066 0.000 0.742 269 K HN 0.167 nan 8.250 nan 0.000 0.458 270 D N -0.023 120.324 120.400 -0.089 0.000 2.882 270 D HA -0.221 4.419 4.640 0.000 0.000 0.229 270 D C 0.352 176.624 176.300 -0.047 0.000 1.167 270 D CA 0.779 54.740 54.000 -0.065 0.000 0.759 270 D CB -0.564 40.192 40.800 -0.074 0.000 1.088 270 D HN 0.237 nan 8.370 nan 0.000 0.425 271 L N -0.351 120.851 121.223 -0.037 0.000 3.400 271 L HA -0.440 3.900 4.340 0.000 0.000 0.158 271 L C 1.983 178.854 176.870 0.002 0.000 4.462 271 L CA 2.963 57.795 54.840 -0.013 0.000 0.423 271 L CB -1.651 40.405 42.059 -0.004 0.000 3.561 271 L HN 0.215 nan 8.230 nan 0.000 0.641 272 D N -0.742 119.658 120.400 -0.000 0.000 2.200 272 D HA -0.252 4.388 4.640 0.000 0.000 0.192 272 D C 2.067 178.396 176.300 0.048 0.000 1.008 272 D CA 2.078 56.087 54.000 0.016 0.000 0.872 272 D CB -0.158 40.646 40.800 0.006 0.000 0.923 272 D HN 0.306 nan 8.370 nan 0.000 0.447 273 L N 1.026 122.276 121.223 0.044 0.000 2.223 273 L HA -0.295 4.045 4.340 0.000 0.000 0.230 273 L C 2.337 179.376 176.870 0.282 0.000 1.110 273 L CA 1.634 56.561 54.840 0.146 0.000 0.834 273 L CB -0.647 41.406 42.059 -0.010 0.000 0.915 273 L HN 0.225 nan 8.230 nan 0.000 0.450 274 I N -1.275 119.401 120.570 0.177 0.000 2.493 274 I HA -0.151 4.019 4.170 0.000 0.000 0.254 274 I C 0.895 177.060 176.117 0.080 0.000 1.160 274 I CA 0.738 62.119 61.300 0.135 0.000 1.445 274 I CB -0.942 37.108 38.000 0.083 0.000 1.086 274 I HN 0.278 nan 8.210 nan 0.000 0.433 275 E N 1.641 121.879 120.200 0.063 0.000 2.341 275 E HA 0.429 4.779 4.350 0.000 0.000 0.279 275 E C -0.160 176.462 176.600 0.036 0.000 1.395 275 E CA -0.073 56.349 56.400 0.036 0.000 1.648 275 E CB 0.219 29.933 29.700 0.023 0.000 1.524 275 E HN 0.257 nan 8.360 nan 0.000 0.462 276 A N 1.217 124.061 122.820 0.039 0.000 2.466 276 A HA 0.384 4.704 4.320 0.000 0.000 0.291 276 A C -0.246 177.338 177.584 0.001 0.000 1.234 276 A CA -0.728 51.325 52.037 0.027 0.000 0.752 276 A CB 0.628 19.665 19.000 0.060 0.000 1.153 276 A HN 0.175 nan 8.150 nan 0.000 0.458 277 D N 0.745 121.139 120.400 -0.009 0.000 2.197 277 D HA 0.064 4.704 4.640 0.000 0.000 0.212 277 D C 1.012 177.277 176.300 -0.059 0.000 0.963 277 D CA 1.852 55.838 54.000 -0.023 0.000 0.864 277 D CB 0.201 40.993 40.800 -0.013 0.000 1.009 277 D HN 0.594 nan 8.370 nan 0.000 0.479 278 T N -0.852 113.673 114.554 -0.050 0.000 2.859 278 T HA 0.510 4.860 4.350 0.000 0.000 0.281 278 T C -2.686 171.980 174.700 -0.057 0.000 1.005 278 T CA -2.248 59.815 62.100 -0.060 0.000 1.025 278 T CB 1.442 70.287 68.868 -0.038 0.000 0.977 278 T HN -0.284 nan 8.240 nan 0.000 0.458 279 P HA 0.018 nan 4.420 nan 0.000 0.241 279 P C -0.969 176.319 177.300 -0.020 0.000 1.093 279 P CA 0.108 63.171 63.100 -0.061 0.000 0.843 279 P CB -0.164 31.502 31.700 -0.057 0.000 0.760 280 L N 7.488 128.709 121.223 -0.003 0.000 2.272 280 L HA 0.490 4.830 4.340 0.000 0.000 0.289 280 L C -2.217 174.700 176.870 0.078 0.000 1.032 280 L CA -2.508 52.363 54.840 0.052 0.000 0.810 280 L CB 1.126 43.248 42.059 0.105 0.000 1.205 280 L HN 0.169 nan 8.230 nan 0.000 0.422 281 P HA -0.022 nan 4.420 nan 0.000 0.266 281 P C 1.306 178.671 177.300 0.109 0.000 1.215 281 P CA -0.030 63.111 63.100 0.068 0.000 0.763 281 P CB 0.828 32.553 31.700 0.041 0.000 0.806 282 V N 2.835 122.812 119.914 0.105 0.000 2.251 282 V HA -0.407 3.713 4.120 0.000 0.000 0.259 282 V C 2.239 178.415 176.094 0.137 0.000 1.078 282 V CA 3.045 65.425 62.300 0.134 0.000 1.072 282 V CB -2.670 29.211 31.823 0.096 0.000 0.681 282 V HN 0.624 nan 8.190 nan 0.000 0.454 283 S N 0.442 116.190 115.700 0.081 0.000 2.387 283 S HA -0.193 4.277 4.470 0.000 0.000 0.230 283 S C 1.851 176.468 174.600 0.029 0.000 1.035 283 S CA 1.955 60.185 58.200 0.051 0.000 1.014 283 S CB -1.054 62.163 63.200 0.029 0.000 0.836 283 S HN 0.612 nan 8.310 nan 0.000 0.466 284 V N 0.562 120.494 119.914 0.031 0.000 2.270 284 V HA -0.035 4.085 4.120 0.000 0.000 0.245 284 V C 2.150 178.189 176.094 -0.090 0.000 1.043 284 V CA 2.032 64.325 62.300 -0.013 0.000 1.014 284 V CB -0.896 30.932 31.823 0.009 0.000 0.645 284 V HN 0.533 nan 8.190 nan 0.000 0.447 285 F N 0.909 120.859 119.950 -0.000 0.000 2.187 285 F HA -0.001 4.526 4.527 0.000 0.000 0.295 285 F C 1.370 177.214 175.800 0.073 0.000 1.091 285 F CA 0.950 58.956 58.000 0.010 0.000 1.308 285 F CB -0.121 38.915 39.000 0.059 0.000 1.030 285 F HN 0.043 nan 8.300 nan 0.000 0.487 286 T N 3.625 118.280 114.554 0.167 0.000 2.761 286 T HA 0.220 4.570 4.350 0.000 0.000 0.296 286 T C -1.887 172.868 174.700 0.093 0.000 0.934 286 T CA -1.122 61.102 62.100 0.207 0.000 1.091 286 T CB 1.333 70.320 68.868 0.198 0.000 0.896 286 T HN 0.043 nan 8.240 nan 0.000 0.515 287 P HA 0.246 nan 4.420 nan 0.000 0.322 287 P C -0.041 177.296 177.300 0.062 0.000 1.414 287 P CA -0.513 62.629 63.100 0.071 0.000 0.876 287 P CB 0.271 32.028 31.700 0.095 0.000 2.176 288 S N -0.725 115.006 115.700 0.051 0.000 2.499 288 S HA 0.457 4.927 4.470 0.000 0.000 0.279 288 S C -0.421 174.200 174.600 0.036 0.000 1.219 288 S CA -0.517 57.705 58.200 0.037 0.000 1.062 288 S CB -1.020 62.195 63.200 0.025 0.000 0.978 288 S HN 0.109 nan 8.310 nan 0.000 0.489 289 L N 3.647 124.888 121.223 0.031 0.000 2.325 289 L HA 0.776 5.116 4.340 0.000 0.000 0.278 289 L C 0.148 177.028 176.870 0.016 0.000 1.023 289 L CA -0.588 54.269 54.840 0.027 0.000 0.811 289 L CB 1.710 43.789 42.059 0.033 0.000 1.249 289 L HN 0.747 nan 8.230 nan 0.000 0.431 290 A N 3.849 126.676 122.820 0.013 0.000 2.337 290 A HA 0.848 5.168 4.320 0.000 0.000 0.331 290 A C -2.560 175.027 177.584 0.006 0.000 1.137 290 A CA -1.671 50.370 52.037 0.007 0.000 0.807 290 A CB 0.800 19.801 19.000 0.001 0.000 1.250 290 A HN 0.424 nan 8.150 nan 0.000 0.468 291 P HA 0.224 nan 4.420 nan 0.000 0.267 291 P C -0.420 176.873 177.300 -0.010 0.000 1.201 291 P CA 0.128 63.231 63.100 0.006 0.000 0.775 291 P CB 0.376 32.080 31.700 0.007 0.000 0.854 292 R N 0.461 120.957 120.500 -0.008 0.000 2.888 292 R HA 0.603 4.943 4.340 0.000 0.000 0.266 292 R C -0.784 175.381 176.300 -0.225 0.000 1.020 292 R CA -0.729 55.281 56.100 -0.149 0.000 0.963 292 R CB 1.783 31.944 30.300 -0.232 0.000 1.197 292 R HN 0.318 nan 8.270 nan 0.000 0.481 293 S N 1.335 116.778 115.700 -0.429 0.000 2.498 293 S HA 0.616 5.086 4.470 0.000 0.000 0.317 293 S C -1.260 173.089 174.600 -0.420 0.000 1.090 293 S CA -0.510 57.533 58.200 -0.262 0.000 1.089 293 S CB 0.633 63.767 63.200 -0.110 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.456 121.840 120.300 0.140 0.000 2.570 294 Y HA 0.604 5.154 4.550 0.000 0.000 0.345 294 Y C 0.431 176.405 175.900 0.123 0.000 1.014 294 Y CA -1.390 56.813 58.100 0.172 0.000 1.063 294 Y CB 1.405 40.077 38.460 0.353 0.000 1.272 294 Y HN 0.543 nan 8.280 nan 0.000 0.477 295 R N 0.863 121.512 120.500 0.248 0.000 2.532 295 R HA 0.602 4.942 4.340 0.000 0.000 0.295 295 R C -2.800 173.552 176.300 0.088 0.000 0.968 295 R CA -1.724 54.463 56.100 0.146 0.000 0.916 295 R CB 1.681 32.048 30.300 0.112 0.000 1.124 295 R HN 0.269 nan 8.270 nan 0.000 0.463 296 P HA -0.175 nan 4.420 nan 0.000 0.197 296 P C 0.779 178.053 177.300 -0.044 0.000 1.076 296 P CA 2.238 65.330 63.100 -0.013 0.000 0.876 296 P CB -0.081 31.610 31.700 -0.015 0.000 0.705 297 A N -1.392 121.367 122.820 -0.102 0.000 5.121 297 A HA -0.300 4.020 4.320 0.000 0.000 0.365 297 A C 1.127 178.505 177.584 -0.343 0.000 1.564 297 A CA 2.702 54.601 52.037 -0.230 0.000 0.686 297 A CB -2.299 16.663 19.000 -0.062 0.000 1.542 297 A HN 0.302 nan 8.150 nan 0.000 0.421 298 F N -1.336 118.611 119.950 -0.005 0.000 2.850 298 F HA 0.482 5.009 4.527 0.000 0.000 0.329 298 F C 0.495 176.282 175.800 -0.021 0.000 1.182 298 F CA -0.442 57.550 58.000 -0.013 0.000 1.270 298 F CB 0.568 39.565 39.000 -0.006 0.000 0.979 298 F HN 0.404 nan 8.300 nan 0.000 0.506 299 I N 1.275 121.911 120.570 0.111 0.000 3.194 299 I HA 0.098 4.268 4.170 0.000 0.000 0.283 299 I C 0.119 176.238 176.117 0.003 0.000 1.199 299 I CA -0.062 61.261 61.300 0.037 0.000 1.328 299 I CB 0.432 38.423 38.000 -0.016 0.000 1.404 299 I HN -0.113 nan 8.210 nan 0.000 0.618 300 K N 6.762 127.143 120.400 -0.031 0.000 2.449 300 K HA 0.322 4.642 4.320 0.000 0.000 0.257 300 K C -2.013 174.541 176.600 -0.077 0.000 0.989 300 K CA -1.785 54.480 56.287 -0.037 0.000 0.916 300 K CB 1.105 33.592 32.500 -0.023 0.000 1.136 300 K HN 0.261 nan 8.250 nan 0.000 0.439 301 P HA -0.240 nan 4.420 nan 0.000 0.219 301 P C 0.570 177.816 177.300 -0.090 0.000 1.153 301 P CA 1.502 64.541 63.100 -0.101 0.000 0.865 301 P CB 0.466 32.112 31.700 -0.091 0.000 0.788 302 E N -0.764 119.396 120.200 -0.068 0.000 2.118 302 E HA -0.169 4.181 4.350 0.000 0.000 0.195 302 E C 1.752 178.319 176.600 -0.055 0.000 0.992 302 E CA 1.310 57.677 56.400 -0.056 0.000 0.804 302 E CB -0.573 29.101 29.700 -0.043 0.000 0.741 302 E HN 0.397 nan 8.360 nan 0.000 0.458 303 D N -0.392 119.972 120.400 -0.060 0.000 2.301 303 D HA 0.075 4.715 4.640 0.000 0.000 0.206 303 D C 0.159 176.416 176.300 -0.072 0.000 0.979 303 D CA 0.430 54.399 54.000 -0.052 0.000 0.874 303 D CB 0.332 41.112 40.800 -0.034 0.000 0.968 303 D HN 0.070 nan 8.370 nan 0.000 0.510 304 A N 1.830 124.572 122.820 -0.131 0.000 2.798 304 A HA 0.133 4.453 4.320 0.000 0.000 0.316 304 A C 1.264 178.687 177.584 -0.269 0.000 1.506 304 A CA -0.428 51.463 52.037 -0.243 0.000 1.162 304 A CB 0.205 18.991 19.000 -0.356 0.000 1.138 304 A HN -0.059 nan 8.150 nan 0.000 0.532 305 K N 1.802 122.124 120.400 -0.130 0.000 2.044 305 K HA -0.220 4.100 4.320 0.000 0.000 0.224 305 K C 1.559 178.143 176.600 -0.028 0.000 1.056 305 K CA 2.446 58.712 56.287 -0.035 0.000 0.962 305 K CB -0.270 32.277 32.500 0.078 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.716 121.973 121.300 -0.071 0.000 3.077 306 W HA 0.275 4.935 4.660 0.000 0.000 0.245 306 W C 0.284 176.753 176.519 -0.083 0.000 1.316 306 W CA -0.080 57.210 57.345 -0.091 0.000 1.537 306 W CB -0.448 28.930 29.460 -0.136 0.000 1.131 306 W HN -0.020 nan 8.180 nan 0.000 0.695 307 I N 1.099 121.267 120.570 -0.669 0.000 2.586 307 I HA 0.531 4.701 4.170 0.000 0.000 0.281 307 I C -0.477 175.416 176.117 -0.372 0.000 1.145 307 I CA -0.209 60.735 61.300 -0.594 0.000 1.073 307 I CB 0.886 38.250 38.000 -1.059 0.000 1.238 307 I HN -0.097 nan 8.210 nan 0.000 0.461 308 A N 5.794 128.498 122.820 -0.194 0.000 2.468 308 A HA 0.914 5.234 4.320 0.000 0.000 0.270 308 A C -0.991 176.539 177.584 -0.091 0.000 1.217 308 A CA -0.418 51.543 52.037 -0.127 0.000 0.908 308 A CB 1.543 20.491 19.000 -0.086 0.000 1.423 308 A HN 0.546 nan 8.150 nan 0.000 0.459 309 E N -0.710 119.442 120.200 -0.080 0.000 2.317 309 E HA 0.456 4.806 4.350 0.000 0.000 0.270 309 E C -1.688 174.861 176.600 -0.085 0.000 0.885 309 E CA -0.597 55.765 56.400 -0.063 0.000 0.760 309 E CB 1.783 31.436 29.700 -0.078 0.000 1.227 309 E HN 0.430 nan 8.360 nan 0.000 0.434 310 F N 3.571 123.467 119.950 -0.091 0.000 2.553 310 F HA 0.064 4.591 4.527 0.000 0.000 0.356 310 F C 0.810 176.567 175.800 -0.071 0.000 1.142 310 F CA -0.111 57.835 58.000 -0.090 0.000 1.322 310 F CB 0.482 39.424 39.000 -0.097 0.000 1.126 310 F HN 0.299 nan 8.300 nan 0.000 0.599 311 N N 3.842 121.630 118.700 -1.520 0.000 2.443 311 N HA 0.147 4.887 4.740 0.000 0.000 0.295 311 N C -0.963 174.152 175.510 -0.658 0.000 1.076 311 N CA -0.869 51.673 53.050 -0.846 0.000 0.919 311 N CB 0.947 39.068 38.487 -0.610 0.000 1.176 311 N HN 0.601 nan 8.380 nan 0.000 0.487 312 N N 0.824 119.368 118.700 -0.260 0.000 2.395 312 N HA -0.051 4.689 4.740 0.000 0.000 0.246 312 N C -1.016 174.461 175.510 -0.055 0.000 1.246 312 N CA 0.703 53.703 53.050 -0.084 0.000 0.879 312 N CB 0.089 38.546 38.487 -0.050 0.000 1.098 312 N HN 0.696 nan 8.380 nan 0.000 0.444 313 S N 0.119 115.845 115.700 0.043 0.000 3.027 313 S HA -0.023 4.447 4.470 0.000 0.000 0.809 313 S C 0.174 174.876 174.600 0.170 0.000 0.729 313 S CA 0.138 58.379 58.200 0.069 0.000 1.515 313 S CB -2.012 61.197 63.200 0.015 0.000 1.062 313 S HN 1.096 nan 8.310 nan 0.000 0.682 314 S N 1.473 117.264 115.700 0.152 0.000 6.372 314 S HA 0.491 4.961 4.470 0.000 0.000 0.097 314 S C -0.305 174.303 174.600 0.013 0.000 1.206 314 S CA -0.084 58.181 58.200 0.108 0.000 1.380 314 S CB -0.150 63.158 63.200 0.180 0.000 1.932 314 S HN 1.772 nan 8.310 nan 0.000 0.560 315 L N 2.139 123.350 121.223 -0.021 0.000 2.108 315 L HA -0.009 4.331 4.340 0.000 0.000 0.685 315 L C -1.546 175.264 176.870 -0.100 0.000 1.058 315 L CA -0.044 54.760 54.840 -0.060 0.000 1.399 315 L CB -1.111 40.923 42.059 -0.042 0.000 2.171 315 L HN 0.592 nan 8.230 nan 0.000 0.994 316 I N 2.420 122.898 120.570 -0.153 0.000 2.347 316 I HA 0.271 4.441 4.170 0.000 0.000 0.283 316 I C 1.155 177.181 176.117 -0.151 0.000 1.058 316 I CA -0.531 60.677 61.300 -0.153 0.000 1.202 316 I CB 1.048 38.934 38.000 -0.190 0.000 1.386 316 I HN 0.486 nan 8.210 nan 0.000 0.475 317 R N 3.119 123.542 120.500 -0.129 0.000 2.009 317 R HA 0.157 4.497 4.340 0.000 0.000 0.213 317 R C 0.508 176.710 176.300 -0.163 0.000 1.297 317 R CA 0.110 56.126 56.100 -0.140 0.000 1.008 317 R CB -0.291 29.944 30.300 -0.108 0.000 0.852 317 R HN 0.131 nan 8.270 nan 0.000 0.475 318 K N 2.418 122.743 120.400 -0.125 0.000 2.310 318 K HA 0.124 4.444 4.320 0.000 0.000 0.290 318 K C -1.192 175.350 176.600 -0.097 0.000 1.077 318 K CA 0.011 56.226 56.287 -0.120 0.000 0.922 318 K CB 0.641 33.087 32.500 -0.091 0.000 1.057 318 K HN 0.467 nan 8.250 nan 0.000 0.479 319 T N 2.448 116.941 114.554 -0.102 0.000 2.812 319 T HA 0.360 4.710 4.350 0.000 0.000 0.282 319 T C -0.383 174.307 174.700 -0.017 0.000 0.990 319 T CA -1.051 61.015 62.100 -0.056 0.000 0.960 319 T CB 0.833 69.674 68.868 -0.046 0.000 0.948 319 T HN 0.408 nan 8.240 nan 0.000 0.438 320 L N 4.634 125.849 121.223 -0.014 0.000 2.559 320 L HA 0.250 4.590 4.340 0.000 0.000 0.274 320 L C 1.572 178.461 176.870 0.031 0.000 1.205 320 L CA 1.206 56.046 54.840 -0.001 0.000 0.907 320 L CB 0.609 42.651 42.059 -0.028 0.000 1.153 320 L HN 1.072 nan 8.230 nan 0.000 0.490 321 T N 1.940 116.537 114.554 0.072 0.000 3.000 321 T HA 0.173 4.523 4.350 0.000 0.000 0.248 321 T C 0.110 174.905 174.700 0.159 0.000 1.034 321 T CA 0.063 62.240 62.100 0.128 0.000 1.060 321 T CB -0.014 68.975 68.868 0.201 0.000 0.983 321 T HN 0.443 nan 8.240 nan 0.000 0.482 322 Y N 0.987 121.309 120.300 0.037 0.000 2.829 322 Y HA 0.576 5.126 4.550 0.000 0.000 0.322 322 Y C -1.132 174.780 175.900 0.020 0.000 1.357 322 Y CA -2.114 56.002 58.100 0.027 0.000 1.081 322 Y CB 1.458 39.935 38.460 0.028 0.000 1.339 322 Y HN -0.017 nan 8.280 nan 0.000 0.469 323 S N 1.842 116.465 115.700 -1.795 0.000 2.519 323 S HA 0.344 4.814 4.470 0.000 0.000 0.310 323 S C 0.738 175.062 174.600 -0.460 0.000 1.201 323 S CA 0.750 58.408 58.200 -0.903 0.000 1.179 323 S CB -0.664 62.114 63.200 -0.704 0.000 1.104 323 S HN 1.380 nan 8.310 nan 0.000 0.527 324 G N 2.445 111.091 108.800 -0.257 0.000 2.341 324 G HA2 -0.074 3.886 3.960 0.000 0.000 0.292 324 G HA3 -0.074 3.886 3.960 0.000 0.000 0.292 324 G C 0.059 174.921 174.900 -0.063 0.000 1.021 324 G CA 0.182 45.210 45.100 -0.121 0.000 0.905 324 G HN 1.186 nan 8.290 nan 0.000 0.508 325 A N -0.672 122.112 122.820 -0.060 0.000 2.414 325 A HA 1.007 5.327 4.320 0.000 0.000 0.306 325 A C 0.027 177.640 177.584 0.049 0.000 1.054 325 A CA 0.351 52.409 52.037 0.034 0.000 0.724 325 A CB 1.779 20.866 19.000 0.145 0.000 1.267 325 A HN 1.642 nan 8.150 nan 0.000 0.418 326 T N -0.929 113.665 114.554 0.066 0.000 2.912 326 T HA 0.642 4.992 4.350 0.000 0.000 0.299 326 T C -1.162 173.600 174.700 0.104 0.000 1.052 326 T CA -0.491 61.644 62.100 0.059 0.000 0.996 326 T CB 1.349 70.220 68.868 0.004 0.000 1.070 326 T HN 1.134 nan 8.240 nan 0.000 0.465 327 Y N 1.826 122.122 120.300 -0.007 0.000 2.442 327 Y HA 0.554 5.104 4.550 0.000 0.000 0.344 327 Y C -0.196 175.695 175.900 -0.014 0.000 0.976 327 Y CA -0.993 57.095 58.100 -0.020 0.000 1.040 327 Y CB 2.009 40.485 38.460 0.027 0.000 1.228 327 Y HN 0.952 nan 8.280 nan 0.000 0.451 328 T N 3.193 117.267 114.554 -0.799 0.000 2.782 328 T HA 0.163 4.513 4.350 0.000 0.000 0.298 328 T C 0.885 174.942 174.700 -1.071 0.000 0.944 328 T CA -0.328 61.353 62.100 -0.698 0.000 1.001 328 T CB 0.655 69.354 68.868 -0.282 0.000 0.932 328 T HN 0.667 nan 8.240 nan 0.000 0.524 329 V N 2.761 122.192 119.914 -0.806 0.000 2.759 329 V HA -0.076 4.044 4.120 0.000 0.000 0.256 329 V C 1.638 177.659 176.094 -0.123 0.000 1.080 329 V CA 1.762 63.842 62.300 -0.366 0.000 1.101 329 V CB -1.084 30.677 31.823 -0.103 0.000 0.698 329 V HN 1.145 nan 8.190 nan 0.000 0.477 330 Q N -1.034 118.660 119.800 -0.176 0.000 2.481 330 Q HA -0.239 4.101 4.340 0.000 0.000 0.272 330 Q C -0.157 175.777 176.000 -0.110 0.000 1.157 330 Q CA 0.878 56.600 55.803 -0.135 0.000 0.935 330 Q CB -2.337 26.324 28.738 -0.128 0.000 1.338 330 Q HN 0.590 nan 8.270 nan 0.000 0.494 331 L N -0.338 120.808 121.223 -0.129 0.000 2.780 331 L HA 0.305 4.645 4.340 0.000 0.000 0.275 331 L C 1.078 177.919 176.870 -0.049 0.000 1.153 331 L CA 2.121 56.870 54.840 -0.152 0.000 0.993 331 L CB -0.242 41.596 42.059 -0.370 0.000 1.319 331 L HN 0.409 nan 8.230 nan 0.000 0.479 332 G N 4.220 113.073 108.800 0.088 0.000 3.507 332 G HA2 0.230 4.190 3.960 0.000 0.000 0.162 332 G HA3 0.230 4.190 3.960 0.000 0.000 0.162 332 G C -2.814 172.170 174.900 0.141 0.000 1.230 332 G CA -0.137 45.065 45.100 0.169 0.000 1.412 332 G HN 0.380 nan 8.290 nan 0.000 0.723 333 P HA 0.236 nan 4.420 nan 0.000 0.263 333 P C 0.700 177.999 177.300 -0.001 0.000 1.276 333 P CA 1.475 64.576 63.100 0.003 0.000 0.986 333 P CB 0.009 31.698 31.700 -0.019 0.000 1.105 334 G N 4.556 113.354 108.800 -0.003 0.000 2.323 334 G HA2 -0.198 3.762 3.960 0.000 0.000 0.292 334 G HA3 -0.198 3.762 3.960 0.000 0.000 0.292 334 G C -2.175 172.720 174.900 -0.008 0.000 1.040 334 G CA -0.774 44.313 45.100 -0.021 0.000 0.942 334 G HN 0.353 nan 8.290 nan 0.000 0.506 335 P HA 0.283 nan 4.420 nan 0.000 0.263 335 P C 1.357 178.664 177.300 0.012 0.000 1.345 335 P CA 0.893 64.016 63.100 0.039 0.000 1.119 335 P CB -0.077 31.671 31.700 0.079 0.000 1.363 336 T N 1.375 115.908 114.554 -0.035 0.000 13.732 336 T HA -0.270 4.080 4.350 0.000 0.000 0.419 336 T C 0.593 175.268 174.700 -0.042 0.000 1.441 336 T CA 0.835 62.901 62.100 -0.057 0.000 2.344 336 T CB -0.875 67.958 68.868 -0.058 0.000 2.781 336 T HN 0.435 nan 8.240 nan 0.000 0.464 337 R N 0.411 120.902 120.500 -0.014 0.000 2.663 337 R HA 0.568 4.908 4.340 0.000 0.000 0.267 337 R C -1.242 175.070 176.300 0.020 0.000 1.038 337 R CA -0.445 55.645 56.100 -0.016 0.000 0.886 337 R CB 1.698 31.970 30.300 -0.046 0.000 1.249 337 R HN 0.742 nan 8.270 nan 0.000 0.463 338 V N 0.219 120.139 119.914 0.011 0.000 2.311 338 V HA 0.539 4.659 4.120 0.000 0.000 0.275 338 V C 0.040 176.173 176.094 0.065 0.000 1.022 338 V CA -0.829 61.502 62.300 0.050 0.000 0.830 338 V CB 0.768 32.608 31.823 0.028 0.000 1.012 338 V HN 0.501 nan 8.190 nan 0.000 0.452 339 I N 5.346 125.999 120.570 0.137 0.000 2.363 339 I HA 0.268 4.438 4.170 0.000 0.000 0.292 339 I C 0.496 176.715 176.117 0.170 0.000 1.075 339 I CA 0.395 61.787 61.300 0.152 0.000 1.333 339 I CB 0.382 38.538 38.000 0.259 0.000 1.415 339 I HN 0.586 nan 8.210 nan 0.000 0.502 340 D N 8.370 128.849 120.400 0.132 0.000 2.558 340 D HA 0.107 4.747 4.640 0.000 0.000 0.221 340 D C 0.479 176.789 176.300 0.017 0.000 1.143 340 D CA 0.001 54.073 54.000 0.119 0.000 1.010 340 D CB 0.731 41.597 40.800 0.110 0.000 1.068 340 D HN 0.403 nan 8.370 nan 0.000 0.511 341 M N 0.981 120.484 119.600 -0.161 0.000 2.723 341 M HA 0.033 4.513 4.480 0.000 0.000 0.270 341 M C 0.333 176.410 176.300 -0.373 0.000 1.282 341 M CA -0.343 54.605 55.300 -0.587 0.000 0.995 341 M CB -1.319 30.462 32.600 -1.365 0.000 1.430 341 M HN -0.020 nan 8.290 nan 0.000 0.477 342 N N 1.613 120.234 118.700 -0.131 0.000 2.508 342 N HA 0.346 5.086 4.740 0.000 0.000 0.253 342 N C 0.210 175.757 175.510 0.062 0.000 1.145 342 N CA 0.324 53.362 53.050 -0.021 0.000 0.973 342 N CB 0.203 38.672 38.487 -0.030 0.000 1.305 342 N HN 0.415 nan 8.380 nan 0.000 0.506 343 A N 3.626 126.534 122.820 0.146 0.000 2.519 343 A HA -0.173 4.147 4.320 0.000 0.000 0.297 343 A C 0.069 177.761 177.584 0.180 0.000 1.472 343 A CA 0.572 52.721 52.037 0.187 0.000 0.739 343 A CB -1.454 17.618 19.000 0.120 0.000 1.096 343 A HN 0.589 nan 8.150 nan 0.000 0.414 344 M N 0.948 120.719 119.600 0.285 0.000 3.307 344 M HA 0.391 4.871 4.480 0.000 0.000 0.222 344 M C 0.733 177.215 176.300 0.303 0.000 1.243 344 M CA -0.120 55.312 55.300 0.221 0.000 1.270 344 M CB -1.596 31.060 32.600 0.093 0.000 1.187 344 M HN 1.365 nan 8.290 nan 0.000 0.598 345 I N -1.347 119.325 120.570 0.170 0.000 7.292 345 I HA -0.337 3.833 4.170 0.000 0.000 0.126 345 I C -0.686 175.381 176.117 -0.083 0.000 1.519 345 I CA 0.741 62.075 61.300 0.057 0.000 2.398 345 I CB -0.543 37.470 38.000 0.021 0.000 3.030 345 I HN 0.467 nan 8.210 nan 0.000 0.266 346 D N 1.626 121.917 120.400 -0.182 0.000 2.381 346 D HA 0.619 5.259 4.640 0.000 0.000 0.235 346 D C -0.731 175.404 176.300 -0.274 0.000 1.068 346 D CA -0.286 53.489 54.000 -0.376 0.000 0.832 346 D CB 1.566 42.186 40.800 -0.300 0.000 1.101 346 D HN 0.610 nan 8.370 nan 0.000 0.515 347 S N 0.541 116.033 115.700 -0.348 0.000 2.667 347 S HA 0.569 5.039 4.470 0.000 0.000 0.292 347 S C -0.504 174.033 174.600 -0.105 0.000 1.126 347 S CA -0.705 57.416 58.200 -0.132 0.000 0.881 347 S CB 2.322 65.559 63.200 0.061 0.000 1.132 347 S HN 0.171 nan 8.310 nan 0.000 0.492 348 V N 2.468 122.354 119.914 -0.046 0.000 2.376 348 V HA 0.348 4.468 4.120 0.000 0.000 0.287 348 V C -0.566 175.502 176.094 -0.043 0.000 1.015 348 V CA -0.492 61.787 62.300 -0.034 0.000 0.834 348 V CB 1.078 32.881 31.823 -0.033 0.000 1.001 348 V HN 0.709 nan 8.190 nan 0.000 0.428 349 L N 4.694 125.879 121.223 -0.065 0.000 2.451 349 L HA 0.150 4.490 4.340 0.000 0.000 0.272 349 L C 0.702 177.458 176.870 -0.191 0.000 1.258 349 L CA 0.166 54.913 54.840 -0.156 0.000 1.132 349 L CB -0.340 41.529 42.059 -0.316 0.000 1.361 349 L HN 0.637 nan 8.230 nan 0.000 0.438 350 T N 3.271 117.744 114.554 -0.136 0.000 3.182 350 T HA 0.165 4.515 4.350 0.000 0.000 0.274 350 T C 0.034 174.635 174.700 -0.166 0.000 0.997 350 T CA -0.263 61.724 62.100 -0.189 0.000 1.082 350 T CB -0.039 68.731 68.868 -0.162 0.000 1.005 350 T HN 0.138 nan 8.240 nan 0.000 0.688 351 L N 4.289 125.408 121.223 -0.174 0.000 2.281 351 L HA 0.319 4.659 4.340 0.000 0.000 0.285 351 L C -0.446 176.380 176.870 -0.073 0.000 1.074 351 L CA -0.031 54.756 54.840 -0.088 0.000 0.817 351 L CB 0.483 42.502 42.059 -0.066 0.000 1.168 351 L HN 0.405 nan 8.230 nan 0.000 0.434 352 D N 5.872 126.261 120.400 -0.019 0.000 2.446 352 D HA 0.253 4.893 4.640 0.000 0.000 0.251 352 D C -0.811 175.526 176.300 0.061 0.000 1.137 352 D CA -0.173 53.837 54.000 0.017 0.000 0.890 352 D CB 1.619 42.427 40.800 0.014 0.000 1.071 352 D HN 0.215 nan 8.370 nan 0.000 0.528 353 V N 0.743 120.716 119.914 0.098 0.000 2.394 353 V HA 0.649 4.769 4.120 0.000 0.000 0.282 353 V C 0.393 176.606 176.094 0.197 0.000 1.031 353 V CA -0.398 61.989 62.300 0.145 0.000 0.881 353 V CB 1.444 33.371 31.823 0.172 0.000 0.982 353 V HN 0.436 nan 8.190 nan 0.000 0.451 354 S N 2.516 118.317 115.700 0.167 0.000 2.547 354 S HA 0.743 5.213 4.470 0.000 0.000 0.270 354 S C 0.509 175.196 174.600 0.145 0.000 1.150 354 S CA 0.802 59.096 58.200 0.157 0.000 0.850 354 S CB 1.659 64.902 63.200 0.072 0.000 1.118 354 S HN 1.997 nan 8.310 nan 0.000 0.461 355 G N 2.055 110.941 108.800 0.144 0.000 5.045 355 G HA2 -0.253 3.707 3.960 0.000 0.000 0.229 355 G HA3 -0.253 3.707 3.960 0.000 0.000 0.229 355 G C 0.238 175.232 174.900 0.157 0.000 1.440 355 G CA 0.293 45.467 45.100 0.124 0.000 0.936 355 G HN 1.380 nan 8.290 nan 0.000 0.690 356 T N 1.698 116.334 114.554 0.136 0.000 2.751 356 T HA 0.406 4.756 4.350 0.000 0.000 0.279 356 T C 1.111 175.871 174.700 0.101 0.000 0.941 356 T CA 1.177 63.341 62.100 0.106 0.000 1.192 356 T CB 1.244 70.143 68.868 0.052 0.000 0.883 356 T HN 0.723 nan 8.240 nan 0.000 0.534 357 I N 3.599 124.238 120.570 0.114 0.000 4.228 357 I HA 0.321 4.491 4.170 0.000 0.000 0.298 357 I C -0.099 176.116 176.117 0.163 0.000 1.206 357 I CA -0.008 61.331 61.300 0.065 0.000 1.322 357 I CB 0.293 38.312 38.000 0.031 0.000 1.411 357 I HN 0.624 nan 8.210 nan 0.000 0.454 358 L N 2.849 124.154 121.223 0.136 0.000 3.642 358 L HA -0.171 4.169 4.340 0.000 0.000 0.613 358 L C -2.089 174.810 176.870 0.049 0.000 1.064 358 L CA -0.598 54.331 54.840 0.147 0.000 1.039 358 L CB -1.737 40.468 42.059 0.244 0.000 1.226 358 L HN 0.202 nan 8.230 nan 0.000 0.764 359 P HA -0.040 nan 4.420 nan 0.000 0.266 359 P C -0.092 177.107 177.300 -0.168 0.000 1.195 359 P CA 0.018 62.986 63.100 -0.220 0.000 0.768 359 P CB 0.352 31.977 31.700 -0.125 0.000 0.838 360 Y N 2.317 122.431 120.300 -0.310 0.000 2.846 360 Y HA -0.244 4.306 4.550 0.000 0.000 0.352 360 Y C 1.804 177.648 175.900 -0.093 0.000 1.298 360 Y CA -0.268 57.620 58.100 -0.353 0.000 1.634 360 Y CB -0.331 37.818 38.460 -0.518 0.000 1.214 360 Y HN 0.567 nan 8.280 nan 0.000 0.529 361 D N 1.247 121.786 120.400 0.233 0.000 2.632 361 D HA -0.366 4.274 4.640 0.000 0.000 0.588 361 D C 0.950 177.314 176.300 0.108 0.000 0.941 361 D CA 2.384 56.498 54.000 0.190 0.000 1.653 361 D CB -0.525 40.420 40.800 0.241 0.000 0.356 361 D HN 0.538 nan 8.370 nan 0.000 0.482 362 T N 0.333 114.941 114.554 0.090 0.000 3.751 362 T HA 0.210 4.560 4.350 0.000 0.000 0.240 362 T C -1.519 173.205 174.700 0.040 0.000 1.004 362 T CA -0.642 61.491 62.100 0.055 0.000 1.645 362 T CB -0.615 68.278 68.868 0.041 0.000 0.763 362 T HN 0.023 nan 8.240 nan 0.000 0.625 363 N N 3.778 122.505 118.700 0.045 0.000 2.372 363 N HA 0.423 5.163 4.740 0.000 0.000 0.291 363 N C -2.309 173.223 175.510 0.036 0.000 1.024 363 N CA -1.916 51.154 53.050 0.032 0.000 0.873 363 N CB 2.152 40.648 38.487 0.013 0.000 1.206 363 N HN 0.249 nan 8.380 nan 0.000 0.486 364 P HA 0.079 nan 4.420 nan 0.000 0.271 364 P C -0.690 176.625 177.300 0.026 0.000 1.535 364 P CA 0.421 63.531 63.100 0.017 0.000 0.820 364 P CB 0.036 31.743 31.700 0.011 0.000 1.606 365 D N -0.029 120.405 120.400 0.058 0.000 2.772 365 D HA 0.177 4.817 4.640 0.000 0.000 0.272 365 D C 1.468 177.805 176.300 0.062 0.000 1.314 365 D CA -0.181 53.881 54.000 0.104 0.000 0.835 365 D CB 0.571 41.452 40.800 0.135 0.000 1.080 365 D HN 0.214 nan 8.370 nan 0.000 0.482 366 L N 0.087 121.289 121.223 -0.034 0.000 2.102 366 L HA -0.015 4.325 4.340 0.000 0.000 0.202 366 L C 1.354 178.148 176.870 -0.127 0.000 1.076 366 L CA 0.523 55.283 54.840 -0.133 0.000 0.761 366 L CB -0.392 41.617 42.059 -0.082 0.000 0.921 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.156 115.509 115.700 -0.058 0.000 2.562 367 S HA 0.195 4.665 4.470 0.000 0.000 0.281 367 S C 0.846 175.429 174.600 -0.028 0.000 1.333 367 S CA 0.175 58.354 58.200 -0.035 0.000 1.052 367 S CB 0.843 64.036 63.200 -0.012 0.000 0.884 367 S HN 0.527 nan 8.310 nan 0.000 0.506 368 T N -1.781 112.757 114.554 -0.026 0.000 5.686 368 T HA -0.197 4.153 4.350 0.000 0.000 0.270 368 T C 0.058 174.743 174.700 -0.026 0.000 2.203 368 T CA 0.511 62.603 62.100 -0.012 0.000 3.730 368 T CB -3.073 65.804 68.868 0.016 0.000 0.770 368 T HN 1.497 nan 8.240 nan 0.000 1.144 369 S N 1.147 116.790 115.700 -0.096 0.000 2.448 369 S HA 0.722 5.192 4.470 0.000 0.000 0.320 369 S C 0.215 174.698 174.600 -0.195 0.000 1.071 369 S CA -0.294 57.805 58.200 -0.168 0.000 1.113 369 S CB 1.822 64.743 63.200 -0.465 0.000 0.972 369 S HN 1.453 nan 8.310 nan 0.000 0.465 370 V N -0.363 119.464 119.914 -0.145 0.000 2.630 370 V HA 0.689 4.809 4.120 0.000 0.000 0.305 370 V C -3.124 172.865 176.094 -0.174 0.000 1.046 370 V CA -3.198 59.003 62.300 -0.166 0.000 0.934 370 V CB 0.970 32.740 31.823 -0.087 0.000 1.003 370 V HN 0.480 nan 8.190 nan 0.000 0.451 371 P HA 0.443 nan 4.420 nan 0.000 0.265 371 P C -0.415 176.836 177.300 -0.082 0.000 1.222 371 P CA 0.674 63.644 63.100 -0.216 0.000 0.767 371 P CB 0.625 32.116 31.700 -0.349 0.000 0.801 372 A N 3.920 126.705 122.820 -0.058 0.000 2.479 372 A HA 0.765 5.085 4.320 0.000 0.000 0.296 372 A C -1.624 176.007 177.584 0.078 0.000 1.121 372 A CA -0.616 51.426 52.037 0.010 0.000 0.743 372 A CB 1.133 20.108 19.000 -0.041 0.000 1.323 372 A HN 0.422 nan 8.150 nan 0.000 0.415 373 F N 1.424 121.368 119.950 -0.010 0.000 2.458 373 F HA 0.662 5.189 4.527 0.000 0.000 0.336 373 F C -1.000 174.818 175.800 0.029 0.000 1.114 373 F CA -0.535 57.473 58.000 0.012 0.000 0.987 373 F CB 1.761 40.775 39.000 0.024 0.000 1.130 373 F HN 0.329 nan 8.300 nan 0.000 0.458 374 V N 7.527 126.925 119.914 -0.859 0.000 2.444 374 V HA 0.355 4.475 4.120 0.000 0.000 0.294 374 V C -0.635 174.935 176.094 -0.874 0.000 1.022 374 V CA -0.811 61.107 62.300 -0.636 0.000 0.850 374 V CB 1.483 33.152 31.823 -0.256 0.000 0.992 374 V HN 0.718 nan 8.190 nan 0.000 0.426 375 L N 6.107 126.996 121.223 -0.557 0.000 2.350 375 L HA 0.581 4.921 4.340 0.000 0.000 0.275 375 L C -0.403 176.422 176.870 -0.075 0.000 1.099 375 L CA 0.360 55.063 54.840 -0.228 0.000 0.808 375 L CB 1.045 43.114 42.059 0.017 0.000 1.149 375 L HN 0.516 nan 8.230 nan 0.000 0.442 376 I N 4.253 124.845 120.570 0.037 0.000 2.362 376 I HA 0.339 4.509 4.170 0.000 0.000 0.289 376 I C -0.493 175.734 176.117 0.184 0.000 0.994 376 I CA -0.382 60.984 61.300 0.110 0.000 1.158 376 I CB 1.368 39.458 38.000 0.151 0.000 1.315 376 I HN 0.546 nan 8.210 nan 0.000 0.451 377 Q N 4.477 124.333 119.800 0.094 0.000 2.788 377 Q HA 0.350 4.690 4.340 0.000 0.000 0.261 377 Q C -0.572 175.420 176.000 -0.013 0.000 1.029 377 Q CA -0.232 55.582 55.803 0.018 0.000 0.848 377 Q CB 1.754 30.489 28.738 -0.005 0.000 1.185 377 Q HN 0.631 nan 8.270 nan 0.000 0.482 378 T N -0.998 113.564 114.554 0.014 0.000 2.886 378 T HA 0.253 4.603 4.350 0.000 0.000 0.292 378 T C 0.532 175.097 174.700 -0.225 0.000 1.012 378 T CA -0.477 61.610 62.100 -0.021 0.000 0.982 378 T CB 1.441 70.361 68.868 0.086 0.000 1.018 378 T HN 0.234 nan 8.240 nan 0.000 0.451 379 S N 2.319 117.835 115.700 -0.307 0.000 2.660 379 S HA 0.109 4.579 4.470 0.000 0.000 0.223 379 S C 0.457 175.111 174.600 0.089 0.000 0.963 379 S CA -0.050 57.888 58.200 -0.437 0.000 0.932 379 S CB -0.090 62.935 63.200 -0.291 0.000 0.775 379 S HN 0.553 nan 8.310 nan 0.000 0.531 380 V N 4.191 124.202 119.914 0.161 0.000 2.294 380 V HA 0.269 4.389 4.120 0.000 0.000 0.272 380 V C -2.532 173.759 176.094 0.328 0.000 1.027 380 V CA -2.337 60.099 62.300 0.227 0.000 0.823 380 V CB 0.896 32.785 31.823 0.111 0.000 1.030 380 V HN 0.048 nan 8.190 nan 0.000 0.457 381 P HA 0.063 nan 4.420 nan 0.000 0.260 381 P C 1.383 178.746 177.300 0.105 0.000 1.185 381 P CA 0.011 63.295 63.100 0.308 0.000 0.763 381 P CB 0.422 32.217 31.700 0.158 0.000 0.776 382 I N 2.399 122.921 120.570 -0.081 0.000 2.317 382 I HA -0.349 3.821 4.170 0.000 0.000 0.244 382 I C 1.804 177.972 176.117 0.086 0.000 0.986 382 I CA 2.131 63.350 61.300 -0.136 0.000 1.286 382 I CB -1.331 36.476 38.000 -0.322 0.000 0.983 382 I HN 0.462 nan 8.210 nan 0.000 0.422 383 Q N -0.228 119.607 119.800 0.058 0.000 2.364 383 Q HA -0.177 4.163 4.340 0.000 0.000 0.207 383 Q C 2.000 178.058 176.000 0.097 0.000 0.970 383 Q CA 0.942 56.788 55.803 0.072 0.000 0.888 383 Q CB -0.286 28.448 28.738 -0.006 0.000 0.951 383 Q HN 0.570 nan 8.270 nan 0.000 0.469 384 Q N -1.073 118.776 119.800 0.082 0.000 2.424 384 Q HA 0.087 4.427 4.340 0.000 0.000 0.204 384 Q C -0.230 175.805 176.000 0.058 0.000 0.933 384 Q CA 0.175 56.019 55.803 0.069 0.000 0.929 384 Q CB 0.684 29.460 28.738 0.064 0.000 1.037 384 Q HN 0.065 nan 8.270 nan 0.000 0.511 385 V N 2.199 122.146 119.914 0.056 0.000 2.287 385 V HA 0.064 4.184 4.120 0.000 0.000 0.246 385 V C 1.077 177.124 176.094 -0.078 0.000 1.165 385 V CA 0.716 63.000 62.300 -0.027 0.000 1.088 385 V CB -0.285 31.477 31.823 -0.103 0.000 1.242 385 V HN 0.399 nan 8.190 nan 0.000 0.497 386 T N -0.608 113.923 114.554 -0.039 0.000 3.000 386 T HA 0.110 4.460 4.350 0.000 0.000 0.248 386 T C 0.882 175.542 174.700 -0.067 0.000 1.034 386 T CA 0.645 62.720 62.100 -0.042 0.000 1.060 386 T CB 0.488 69.362 68.868 0.010 0.000 0.983 386 T HN 0.651 nan 8.240 nan 0.000 0.482 387 T N -1.823 112.695 114.554 -0.060 0.000 2.910 387 T HA 0.774 5.124 4.350 0.000 0.000 0.287 387 T C 1.596 176.255 174.700 -0.068 0.000 1.050 387 T CA -0.217 61.847 62.100 -0.062 0.000 1.011 387 T CB 1.464 70.308 68.868 -0.040 0.000 1.195 387 T HN 0.100 nan 8.240 nan 0.000 0.540 388 A N 0.763 123.545 122.820 -0.064 0.000 1.997 388 A HA 0.085 4.405 4.320 0.000 0.000 0.221 388 A C 2.611 180.170 177.584 -0.042 0.000 1.172 388 A CA 2.503 54.506 52.037 -0.056 0.000 0.645 388 A CB -1.656 17.314 19.000 -0.050 0.000 0.813 388 A HN 1.431 nan 8.150 nan 0.000 0.454 389 A N 0.560 123.360 122.820 -0.034 0.000 1.917 389 A HA -0.279 4.041 4.320 0.000 0.000 0.219 389 A C 1.804 179.377 177.584 -0.018 0.000 1.182 389 A CA 2.166 54.190 52.037 -0.023 0.000 0.633 389 A CB -0.852 18.137 19.000 -0.017 0.000 0.819 389 A HN 0.647 nan 8.150 nan 0.000 0.448 390 N N 0.634 119.322 118.700 -0.021 0.000 2.104 390 N HA -0.200 4.540 4.740 0.000 0.000 0.190 390 N C 1.471 176.975 175.510 -0.010 0.000 1.024 390 N CA 1.843 54.885 53.050 -0.013 0.000 0.853 390 N CB -0.836 37.640 38.487 -0.018 0.000 1.008 390 N HN 0.740 nan 8.380 nan 0.000 0.424 391 I N -1.905 118.650 120.570 -0.026 0.000 2.300 391 I HA -0.273 3.897 4.170 0.000 0.000 0.252 391 I C 1.130 177.248 176.117 0.001 0.000 1.119 391 I CA 1.224 62.513 61.300 -0.019 0.000 1.384 391 I CB -1.250 36.729 38.000 -0.035 0.000 1.062 391 I HN 0.084 nan 8.210 nan 0.000 0.426 392 T N -0.103 114.448 114.554 -0.005 0.000 13.467 392 T HA -0.363 3.987 4.350 0.000 0.000 0.419 392 T C 0.620 175.316 174.700 -0.006 0.000 1.441 392 T CA 2.245 64.341 62.100 -0.008 0.000 2.354 392 T CB -1.808 67.051 68.868 -0.014 0.000 2.797 392 T HN 1.202 nan 8.240 nan 0.000 0.557 393 A N 1.968 124.789 122.820 0.000 0.000 2.310 393 A HA 0.691 5.011 4.320 0.000 0.000 0.304 393 A C -0.166 177.422 177.584 0.007 0.000 1.231 393 A CA -0.745 51.294 52.037 0.003 0.000 0.799 393 A CB 0.204 19.206 19.000 0.003 0.000 1.162 393 A HN 0.802 nan 8.150 nan 0.000 0.486 394 I N 1.718 122.287 120.570 -0.001 0.000 2.281 394 I HA 0.475 4.645 4.170 0.000 0.000 0.293 394 I C 0.272 176.387 176.117 -0.003 0.000 1.085 394 I CA -0.251 61.045 61.300 -0.007 0.000 1.257 394 I CB 0.824 38.819 38.000 -0.008 0.000 1.430 394 I HN 0.412 nan 8.210 nan 0.000 0.489 395 T N 2.874 117.420 114.554 -0.013 0.000 2.788 395 T HA 0.494 4.844 4.350 0.000 0.000 0.296 395 T C 0.003 174.684 174.700 -0.033 0.000 1.009 395 T CA -0.775 61.325 62.100 -0.001 0.000 0.949 395 T CB 1.104 69.983 68.868 0.018 0.000 0.946 395 T HN 0.337 nan 8.240 nan 0.000 0.453 396 V N 5.218 125.129 119.914 -0.006 0.000 2.400 396 V HA 0.026 4.146 4.120 0.000 0.000 0.263 396 V C 1.366 177.479 176.094 0.032 0.000 1.026 396 V CA -0.077 62.220 62.300 -0.006 0.000 1.077 396 V CB -0.472 31.367 31.823 0.026 0.000 1.054 396 V HN 0.902 nan 8.190 nan 0.000 0.477 397 V N 3.375 123.318 119.914 0.048 0.000 2.581 397 V HA 0.047 4.167 4.120 0.000 0.000 0.240 397 V C 1.121 177.317 176.094 0.170 0.000 1.054 397 V CA 0.968 63.353 62.300 0.142 0.000 1.076 397 V CB 0.315 32.279 31.823 0.235 0.000 0.748 397 V HN 0.796 nan 8.190 nan 0.000 0.474 398 S N 0.397 116.231 115.700 0.225 0.000 2.426 398 S HA 0.727 5.197 4.470 0.000 0.000 0.236 398 S C 0.388 175.069 174.600 0.134 0.000 1.368 398 S CA 0.318 58.647 58.200 0.214 0.000 1.154 398 S CB 1.212 64.586 63.200 0.291 0.000 1.037 398 S HN 0.492 nan 8.310 nan 0.000 0.481 399 A N 1.422 124.294 122.820 0.086 0.000 2.295 399 A HA 0.799 5.119 4.320 0.000 0.000 0.193 399 A C 1.181 178.796 177.584 0.051 0.000 1.512 399 A CA 0.723 52.793 52.037 0.055 0.000 1.103 399 A CB -0.422 18.591 19.000 0.021 0.000 1.331 399 A HN 1.401 nan 8.150 nan 0.000 0.501 400 A N -0.478 122.371 122.820 0.049 0.000 5.295 400 A HA -0.029 4.291 4.320 0.000 0.000 0.313 400 A C 1.499 179.089 177.584 0.011 0.000 1.912 400 A CA 1.283 53.342 52.037 0.037 0.000 0.714 400 A CB -2.026 17.005 19.000 0.052 0.000 1.319 400 A HN 2.120 nan 8.150 nan 0.000 0.375 401 G N -0.327 108.481 108.800 0.013 0.000 2.494 401 G HA2 0.609 4.569 3.960 0.000 0.000 0.297 401 G HA3 0.609 4.569 3.960 0.000 0.000 0.297 401 G C 0.204 175.094 174.900 -0.017 0.000 0.971 401 G CA 1.054 46.149 45.100 -0.009 0.000 1.378 401 G HN 2.120 nan 8.290 nan 0.000 0.456 402 A N 2.960 125.748 122.820 -0.052 0.000 3.078 402 A HA 0.588 4.908 4.320 0.000 0.000 0.279 402 A C 1.207 178.747 177.584 -0.072 0.000 1.594 402 A CA 0.146 52.148 52.037 -0.059 0.000 1.301 402 A CB -0.208 18.755 19.000 -0.063 0.000 1.162 402 A HN 0.901 nan 8.150 nan 0.000 0.585 403 S N 0.100 115.774 115.700 -0.043 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.320 174.909 174.600 -0.018 0.000 0.995 403 S CA 0.242 58.425 58.200 -0.029 0.000 1.333 403 S CB 0.372 63.555 63.200 -0.027 0.000 1.197 403 S HN 2.120 nan 8.310 nan 0.000 0.856 404 A N -0.241 122.577 122.820 -0.004 0.000 2.519 404 A HA 0.639 4.959 4.320 0.000 0.000 0.298 404 A C -2.099 175.499 177.584 0.025 0.000 0.963 404 A CA -0.258 51.787 52.037 0.012 0.000 0.624 404 A CB 0.016 19.004 19.000 -0.019 0.000 1.356 404 A HN 1.383 nan 8.150 nan 0.000 0.441 405 I N 0.054 120.657 120.570 0.056 0.000 2.752 405 I HA 0.513 4.683 4.170 0.000 0.000 0.295 405 I C -0.952 175.215 176.117 0.084 0.000 1.219 405 I CA -0.497 60.833 61.300 0.050 0.000 1.030 405 I CB 2.115 40.135 38.000 0.034 0.000 1.259 405 I HN 0.568 nan 8.210 nan 0.000 0.423 406 N N 6.696 125.426 118.700 0.051 0.000 2.736 406 N HA 0.148 4.888 4.740 0.000 0.000 0.307 406 N C 0.762 176.299 175.510 0.045 0.000 1.212 406 N CA 0.266 53.350 53.050 0.056 0.000 1.158 406 N CB -0.197 38.306 38.487 0.026 0.000 1.460 406 N HN 0.538 nan 8.380 nan 0.000 0.514 407 L N -0.278 120.987 121.223 0.070 0.000 2.478 407 L HA 0.096 4.436 4.340 0.000 0.000 0.223 407 L C 1.092 177.903 176.870 -0.099 0.000 1.140 407 L CA -0.084 54.708 54.840 -0.080 0.000 0.842 407 L CB -0.238 41.646 42.059 -0.291 0.000 0.953 407 L HN 0.374 nan 8.230 nan 0.000 0.452 408 A N 0.643 123.503 122.820 0.067 0.000 2.450 408 A HA 0.302 4.622 4.320 0.000 0.000 0.255 408 A C 0.325 177.925 177.584 0.027 0.000 1.096 408 A CA -0.387 51.697 52.037 0.078 0.000 0.778 408 A CB -0.231 18.855 19.000 0.144 0.000 1.031 408 A HN 0.213 nan 8.150 nan 0.000 0.494 409 I N 3.259 123.838 120.570 0.016 0.000 2.906 409 I HA -0.101 4.069 4.170 0.000 0.000 0.312 409 I C 1.066 177.194 176.117 0.018 0.000 1.169 409 I CA 0.468 61.773 61.300 0.008 0.000 2.267 409 I CB -0.965 37.037 38.000 0.003 0.000 1.624 409 I HN 0.739 nan 8.210 nan 0.000 1.067 410 N N 2.156 120.866 118.700 0.017 0.000 2.463 410 N HA -0.064 4.676 4.740 0.000 0.000 0.181 410 N C 1.768 177.286 175.510 0.013 0.000 1.078 410 N CA 0.157 53.218 53.050 0.018 0.000 0.902 410 N CB 0.299 38.796 38.487 0.018 0.000 0.970 410 N HN 0.363 nan 8.380 nan 0.000 0.451 411 V N 0.870 120.790 119.914 0.009 0.000 2.392 411 V HA -0.199 3.921 4.120 0.000 0.000 0.249 411 V C 1.294 177.393 176.094 0.009 0.000 1.059 411 V CA 1.642 63.946 62.300 0.007 0.000 1.051 411 V CB -0.277 31.548 31.823 0.004 0.000 0.658 411 V HN 0.264 nan 8.190 nan 0.000 0.455 412 R N -0.482 120.025 120.500 0.011 0.000 2.652 412 R HA 0.448 4.788 4.340 0.000 0.000 0.372 412 R C 1.316 177.626 176.300 0.016 0.000 1.104 412 R CA 0.595 56.702 56.100 0.012 0.000 1.072 412 R CB 0.467 30.773 30.300 0.011 0.000 1.367 412 R HN 0.443 nan 8.270 nan 0.000 0.577 413 G N -0.022 108.788 108.800 0.016 0.000 2.253 413 G HA2 -0.366 3.594 3.960 0.000 0.000 0.251 413 G HA3 -0.366 3.594 3.960 0.000 0.000 0.251 413 G C 0.057 174.973 174.900 0.025 0.000 0.998 413 G CA -0.059 45.053 45.100 0.020 0.000 0.621 413 G HN 0.393 nan 8.290 nan 0.000 0.524 414 Q N 1.389 121.205 119.800 0.026 0.000 2.361 414 Q HA 0.457 4.797 4.340 0.000 0.000 0.276 414 Q C -2.179 173.846 176.000 0.042 0.000 1.022 414 Q CA -0.334 55.489 55.803 0.034 0.000 0.898 414 Q CB 1.135 29.892 28.738 0.031 0.000 1.246 414 Q HN 0.353 nan 8.270 nan 0.000 0.410 415 P HA 0.276 nan 4.420 nan 0.000 0.199 415 P C -1.219 176.137 177.300 0.094 0.000 1.878 415 P CA -0.541 62.600 63.100 0.069 0.000 1.202 415 P CB 0.773 32.511 31.700 0.062 0.000 1.719 416 R N 2.209 122.765 120.500 0.094 0.000 2.320 416 R HA 0.361 4.701 4.340 0.000 0.000 0.319 416 R C -0.533 175.846 176.300 0.131 0.000 0.969 416 R CA -1.018 55.144 56.100 0.104 0.000 0.857 416 R CB 0.584 30.921 30.300 0.061 0.000 1.160 416 R HN 0.315 nan 8.270 nan 0.000 0.491 417 F N 3.080 123.041 119.950 0.018 0.000 2.557 417 F HA -0.030 4.497 4.527 0.000 0.000 0.384 417 F C 1.307 177.118 175.800 0.018 0.000 1.057 417 F CA 0.092 58.102 58.000 0.016 0.000 1.169 417 F CB 0.282 39.295 39.000 0.021 0.000 1.070 417 F HN 0.542 nan 8.300 nan 0.000 0.554 418 N N 6.002 124.244 118.700 -0.764 0.000 2.283 418 N HA -0.099 4.641 4.740 0.000 0.000 0.236 418 N C -0.012 175.188 175.510 -0.517 0.000 1.252 418 N CA -0.383 52.308 53.050 -0.598 0.000 0.856 418 N CB 0.492 38.633 38.487 -0.577 0.000 1.099 418 N HN 0.643 nan 8.380 nan 0.000 0.444 419 M N 2.220 121.692 119.600 -0.213 0.000 2.435 419 M HA 0.195 4.675 4.480 0.000 0.000 0.338 419 M C -1.077 175.207 176.300 -0.026 0.000 1.628 419 M CA -0.277 54.984 55.300 -0.065 0.000 1.215 419 M CB 0.111 32.705 32.600 -0.010 0.000 1.905 419 M HN 0.366 nan 8.290 nan 0.000 0.457 420 L N 4.091 125.370 121.223 0.092 0.000 2.334 420 L HA 0.362 4.702 4.340 0.000 0.000 0.277 420 L C -0.731 176.244 176.870 0.174 0.000 1.075 420 L CA 0.037 54.981 54.840 0.172 0.000 0.804 420 L CB 1.040 43.293 42.059 0.324 0.000 1.174 420 L HN 0.726 nan 8.230 nan 0.000 0.438 421 H N 4.205 123.314 119.070 0.065 0.000 2.661 421 H HA 0.485 5.041 4.556 0.000 0.000 0.290 421 H C -1.034 174.326 175.328 0.053 0.000 1.082 421 H CA -0.433 55.645 56.048 0.050 0.000 1.234 421 H CB 0.447 30.227 29.762 0.029 0.000 1.387 421 H HN 0.545 nan 8.280 nan 0.000 0.476 422 L N 3.952 125.148 121.223 -0.045 0.000 2.357 422 L HA 0.369 4.709 4.340 0.000 0.000 0.273 422 L C -0.263 176.545 176.870 -0.103 0.000 1.080 422 L CA -0.728 54.102 54.840 -0.016 0.000 0.803 422 L CB 1.265 43.344 42.059 0.034 0.000 1.174 422 L HN 0.573 nan 8.230 nan 0.000 0.443 423 Q N 2.276 122.062 119.800 -0.023 0.000 2.304 423 Q HA 0.542 4.882 4.340 0.000 0.000 0.270 423 Q C -1.131 174.868 176.000 -0.002 0.000 1.035 423 Q CA -0.478 55.304 55.803 -0.034 0.000 0.781 423 Q CB 2.385 31.142 28.738 0.031 0.000 1.261 423 Q HN 0.669 nan 8.270 nan 0.000 0.444 424 A N 1.858 124.638 122.820 -0.067 0.000 2.536 424 A HA 0.380 4.700 4.320 0.000 0.000 0.329 424 A C 0.360 177.962 177.584 0.030 0.000 1.321 424 A CA -0.719 51.318 52.037 -0.001 0.000 0.804 424 A CB 0.004 18.928 19.000 -0.127 0.000 1.126 424 A HN 0.634 nan 8.150 nan 0.000 0.480 425 T N 0.618 115.199 114.554 0.044 0.000 3.235 425 T HA -0.042 4.308 4.350 0.000 0.000 0.211 425 T C 0.044 174.759 174.700 0.026 0.000 0.983 425 T CA 0.006 62.118 62.100 0.020 0.000 2.783 425 T CB -1.210 67.663 68.868 0.008 0.000 1.023 425 T HN 0.509 nan 8.240 nan 0.000 0.506 426 F N 3.572 123.511 119.950 -0.019 0.000 2.616 426 F HA 0.212 4.739 4.527 0.000 0.000 0.331 426 F C 0.024 175.817 175.800 -0.012 0.000 1.309 426 F CA -1.295 56.699 58.000 -0.009 0.000 1.068 426 F CB -0.738 38.243 39.000 -0.032 0.000 1.464 426 F HN 0.414 nan 8.300 nan 0.000 0.667 427 E N 6.234 126.202 120.200 -0.387 0.000 2.063 427 E HA 0.102 4.452 4.350 0.000 0.000 0.265 427 E C 1.265 177.763 176.600 -0.170 0.000 0.919 427 E CA -0.323 55.871 56.400 -0.343 0.000 0.756 427 E CB 0.723 30.324 29.700 -0.165 0.000 1.120 427 E HN 0.709 nan 8.360 nan 0.000 0.414 428 R N 1.911 122.265 120.500 -0.244 0.000 2.211 428 R HA -0.182 4.158 4.340 0.000 0.000 0.240 428 R C 0.680 176.999 176.300 0.031 0.000 1.144 428 R CA 1.371 57.498 56.100 0.044 0.000 0.992 428 R CB -0.065 30.315 30.300 0.134 0.000 0.869 428 R HN 0.208 nan 8.270 nan 0.000 0.462 429 E N 0.898 121.085 120.200 -0.022 0.000 2.153 429 E HA -0.104 4.246 4.350 0.000 0.000 0.194 429 E C 1.809 178.411 176.600 0.004 0.000 0.988 429 E CA 1.931 58.326 56.400 -0.009 0.000 0.811 429 E CB -0.162 29.522 29.700 -0.026 0.000 0.746 429 E HN 0.373 nan 8.360 nan 0.000 0.466 430 T N 0.604 115.161 114.554 0.005 0.000 2.721 430 T HA -0.187 4.163 4.350 0.000 0.000 0.268 430 T C 1.722 176.441 174.700 0.031 0.000 1.038 430 T CA 1.527 63.639 62.100 0.022 0.000 1.145 430 T CB -0.177 68.709 68.868 0.031 0.000 0.858 430 T HN 0.148 nan 8.240 nan 0.000 0.459 431 I N 0.112 120.709 120.570 0.044 0.000 3.616 431 I HA 0.097 4.267 4.170 0.000 0.000 0.296 431 I C 0.949 177.083 176.117 0.027 0.000 1.226 431 I CA 0.372 61.693 61.300 0.035 0.000 1.394 431 I CB -0.274 37.752 38.000 0.044 0.000 1.171 431 I HN 0.189 nan 8.210 nan 0.000 0.442 432 T N 0.067 114.643 114.554 0.037 0.000 3.882 432 T HA -0.128 4.222 4.350 0.000 0.000 0.366 432 T C 0.878 175.601 174.700 0.038 0.000 0.760 432 T CA 0.252 62.373 62.100 0.035 0.000 1.931 432 T CB -2.598 66.284 68.868 0.023 0.000 1.807 432 T HN 1.341 nan 8.240 nan 0.000 0.790 433 G N 1.512 110.342 108.800 0.050 0.000 2.575 433 G HA2 -0.089 3.871 3.960 0.000 0.000 0.267 433 G HA3 -0.089 3.871 3.960 0.000 0.000 0.267 433 G C 0.695 175.601 174.900 0.009 0.000 1.264 433 G CA 0.491 45.621 45.100 0.049 0.000 0.935 433 G HN 1.782 nan 8.290 nan 0.000 0.568 434 I N -2.692 117.900 120.570 0.036 0.000 4.519 434 I HA -0.231 3.939 4.170 0.000 0.000 0.056 434 I C -1.570 174.412 176.117 -0.224 0.000 0.610 434 I CA 1.992 63.281 61.300 -0.018 0.000 0.951 434 I CB -1.908 36.089 38.000 -0.006 0.000 0.858 434 I HN 0.741 nan 8.210 nan 0.000 0.164 435 P HA 0.263 nan 4.420 nan 0.000 0.219 435 P C -0.730 176.246 177.300 -0.541 0.000 1.847 435 P CA -0.126 62.691 63.100 -0.472 0.000 1.110 435 P CB -0.596 30.959 31.700 -0.242 0.000 1.839 436 Y N 1.039 121.253 120.300 -0.142 0.000 3.073 436 Y HA -0.066 4.484 4.550 0.000 0.000 0.343 436 Y C 1.096 176.576 175.900 -0.701 0.000 1.274 436 Y CA -0.392 57.509 58.100 -0.332 0.000 1.554 436 Y CB -0.591 37.674 38.460 -0.324 0.000 1.250 436 Y HN 0.151 nan 8.280 nan 0.000 0.622 437 I N 4.215 124.516 120.570 -0.450 0.000 2.325 437 I HA 0.254 4.424 4.170 0.000 0.000 0.291 437 I C -0.532 175.312 176.117 -0.455 0.000 1.019 437 I CA -0.200 60.873 61.300 -0.378 0.000 1.302 437 I CB -0.095 37.832 38.000 -0.121 0.000 1.401 437 I HN 0.462 nan 8.210 nan 0.000 0.485 438 Y N 3.724 124.056 120.300 0.053 0.000 2.602 438 Y HA 0.911 5.461 4.550 0.000 0.000 0.342 438 Y C 0.556 176.480 175.900 0.040 0.000 1.029 438 Y CA -1.324 56.805 58.100 0.047 0.000 1.080 438 Y CB 2.193 40.680 38.460 0.046 0.000 1.284 438 Y HN 0.562 nan 8.280 nan 0.000 0.485 439 G N 0.673 109.612 108.800 0.231 0.000 2.703 439 G HA2 0.551 4.511 3.960 0.000 0.000 0.294 439 G HA3 0.551 4.511 3.960 0.000 0.000 0.294 439 G C -2.634 172.305 174.900 0.066 0.000 1.451 439 G CA -0.637 44.497 45.100 0.057 0.000 0.869 439 G HN 0.556 nan 8.290 nan 0.000 0.516 440 L N 0.408 121.534 121.223 -0.161 0.000 2.303 440 L HA 0.985 5.325 4.340 0.000 0.000 0.256 440 L C 0.274 177.135 176.870 -0.014 0.000 1.034 440 L CA -0.465 54.349 54.840 -0.042 0.000 0.832 440 L CB 2.372 44.391 42.059 -0.066 0.000 1.403 440 L HN 0.914 nan 8.230 nan 0.000 0.419 441 G N -0.087 108.737 108.800 0.041 0.000 2.470 441 G HA2 0.608 4.568 3.960 0.000 0.000 0.320 441 G HA3 0.608 4.568 3.960 0.000 0.000 0.320 441 G C -1.311 173.550 174.900 -0.065 0.000 1.245 441 G CA -0.263 44.860 45.100 0.039 0.000 0.935 441 G HN 0.669 nan 8.290 nan 0.000 0.476 442 T N 0.987 115.478 114.554 -0.105 0.000 3.128 442 T HA 0.332 4.682 4.350 0.000 0.000 0.363 442 T C -0.767 173.842 174.700 -0.153 0.000 1.610 442 T CA -0.691 61.301 62.100 -0.180 0.000 1.126 442 T CB 0.259 69.150 68.868 0.039 0.000 1.416 442 T HN 0.972 nan 8.240 nan 0.000 0.480 443 F N 4.443 124.326 119.950 -0.111 0.000 2.583 443 F HA 0.390 4.917 4.527 0.000 0.000 0.330 443 F C -0.053 175.481 175.800 -0.443 0.000 1.298 443 F CA -1.271 56.601 58.000 -0.214 0.000 1.099 443 F CB -1.455 37.439 39.000 -0.177 0.000 1.540 443 F HN 0.378 nan 8.300 nan 0.000 0.673 444 L N 4.243 125.233 121.223 -0.389 0.000 2.326 444 L HA 0.565 4.905 4.340 0.000 0.000 0.278 444 L C -0.496 176.150 176.870 -0.374 0.000 1.092 444 L CA -0.520 53.800 54.840 -0.867 0.000 0.810 444 L CB 1.030 42.816 42.059 -0.455 0.000 1.153 444 L HN 0.665 nan 8.230 nan 0.000 0.439 445 I N 5.960 126.409 120.570 -0.201 0.000 2.530 445 I HA 0.422 4.592 4.170 0.000 0.000 0.297 445 I C -1.999 174.202 176.117 0.140 0.000 1.011 445 I CA -2.333 59.011 61.300 0.073 0.000 1.107 445 I CB 2.655 40.779 38.000 0.207 0.000 1.285 445 I HN 0.531 nan 8.210 nan 0.000 0.436 446 P HA -0.055 nan 4.420 nan 0.000 0.215 446 P C 0.098 177.472 177.300 0.123 0.000 1.157 446 P CA 0.605 63.797 63.100 0.155 0.000 0.856 446 P CB 0.190 31.982 31.700 0.154 0.000 0.786 447 S N 0.942 116.699 115.700 0.096 0.000 2.481 447 S HA 0.152 4.622 4.470 0.000 0.000 0.282 447 S C -2.325 172.306 174.600 0.052 0.000 1.243 447 S CA -1.363 56.879 58.200 0.070 0.000 1.078 447 S CB -0.762 62.471 63.200 0.055 0.000 0.916 447 S HN -0.131 nan 8.310 nan 0.000 0.495 448 P HA 0.089 nan 4.420 nan 0.000 0.264 448 P C -0.493 176.775 177.300 -0.054 0.000 1.193 448 P CA -0.000 63.098 63.100 -0.004 0.000 0.763 448 P CB 0.350 32.044 31.700 -0.010 0.000 0.810 449 T N -0.581 113.904 114.554 -0.115 0.000 2.795 449 T HA 0.280 4.630 4.350 0.000 0.000 0.282 449 T C 0.285 174.881 174.700 -0.172 0.000 0.980 449 T CA -0.785 61.172 62.100 -0.239 0.000 1.012 449 T CB 0.592 69.146 68.868 -0.524 0.000 0.936 449 T HN 0.146 nan 8.240 nan 0.000 0.457 450 S N 2.888 118.502 115.700 -0.142 0.000 2.686 450 S HA 0.094 4.564 4.470 0.000 0.000 0.324 450 S C 1.705 176.284 174.600 -0.034 0.000 1.172 450 S CA -0.215 57.943 58.200 -0.070 0.000 1.127 450 S CB -0.723 62.453 63.200 -0.039 0.000 1.338 450 S HN 0.858 nan 8.310 nan 0.000 0.547 451 S N 4.097 119.772 115.700 -0.043 0.000 2.389 451 S HA -0.192 4.278 4.470 0.000 0.000 0.231 451 S C 2.220 176.809 174.600 -0.018 0.000 1.052 451 S CA 2.371 60.554 58.200 -0.028 0.000 1.053 451 S CB -0.613 62.552 63.200 -0.057 0.000 0.886 451 S HN 0.996 nan 8.310 nan 0.000 0.456 452 S N 1.805 117.494 115.700 -0.017 0.000 2.348 452 S HA -0.144 4.326 4.470 0.000 0.000 0.221 452 S C 1.640 176.242 174.600 0.003 0.000 1.033 452 S CA 1.455 59.648 58.200 -0.013 0.000 1.010 452 S CB -1.118 62.074 63.200 -0.013 0.000 0.891 452 S HN 0.650 nan 8.310 nan 0.000 0.442 453 N N 1.901 120.612 118.700 0.018 0.000 2.000 453 N HA -0.060 4.680 4.740 0.000 0.000 0.198 453 N C 0.595 176.168 175.510 0.105 0.000 1.057 453 N CA 1.402 54.481 53.050 0.048 0.000 0.858 453 N CB -0.821 37.690 38.487 0.040 0.000 1.057 453 N HN 0.561 nan 8.380 nan 0.000 0.423 454 F N 1.934 121.832 119.950 -0.087 0.000 2.626 454 F HA 0.233 4.760 4.527 0.000 0.000 0.353 454 F C 1.202 176.959 175.800 -0.072 0.000 1.230 454 F CA -0.866 57.082 58.000 -0.088 0.000 1.298 454 F CB -0.374 38.512 39.000 -0.190 0.000 1.670 454 F HN 0.063 nan 8.300 nan 0.000 0.633 455 S N 1.231 116.847 115.700 -0.139 0.000 2.420 455 S HA -0.274 4.196 4.470 0.000 0.000 0.237 455 S C 1.038 175.418 174.600 -0.367 0.000 1.023 455 S CA 0.735 58.806 58.200 -0.215 0.000 0.991 455 S CB -0.779 62.355 63.200 -0.109 0.000 0.792 455 S HN 0.764 nan 8.310 nan 0.000 0.488 456 N N 3.358 121.708 118.700 -0.584 0.000 2.440 456 N HA 0.038 4.778 4.740 0.000 0.000 0.265 456 N C -1.331 173.764 175.510 -0.692 0.000 1.239 456 N CA -1.256 51.440 53.050 -0.590 0.000 0.909 456 N CB 1.131 39.277 38.487 -0.568 0.000 1.066 456 N HN 0.135 nan 8.380 nan 0.000 0.474 457 P HA -0.075 nan 4.420 nan 0.000 0.205 457 P C 0.307 177.657 177.300 0.082 0.000 1.193 457 P CA 1.348 64.385 63.100 -0.105 0.000 0.929 457 P CB 0.151 31.826 31.700 -0.042 0.000 0.772 458 T N -2.368 112.246 114.554 0.100 0.000 3.230 458 T HA 0.294 4.644 4.350 0.000 0.000 0.390 458 T C -0.967 173.694 174.700 -0.066 0.000 1.761 458 T CA -0.621 61.598 62.100 0.197 0.000 1.129 458 T CB -0.200 68.764 68.868 0.161 0.000 1.583 458 T HN -0.118 nan 8.240 nan 0.000 0.480 459 L N 3.844 124.968 121.223 -0.164 0.000 3.034 459 L HA 0.452 4.792 4.340 0.000 0.000 0.245 459 L C 1.127 177.817 176.870 -0.300 0.000 1.295 459 L CA -0.190 54.539 54.840 -0.185 0.000 1.068 459 L CB 0.149 42.251 42.059 0.071 0.000 1.426 459 L HN 0.555 nan 8.230 nan 0.000 0.531 460 M N 1.579 120.874 119.600 -0.510 0.000 3.011 460 M HA 0.097 4.577 4.480 0.000 0.000 0.292 460 M C -0.879 175.312 176.300 -0.182 0.000 1.440 460 M CA 0.357 55.418 55.300 -0.399 0.000 1.552 460 M CB -0.356 31.938 32.600 -0.510 0.000 1.187 460 M HN 0.178 nan 8.290 nan 0.000 0.520 461 D N 2.894 123.222 120.400 -0.121 0.000 2.518 461 D HA 0.402 5.042 4.640 0.000 0.000 0.230 461 D C 0.484 176.776 176.300 -0.014 0.000 1.138 461 D CA -0.102 53.857 54.000 -0.068 0.000 0.964 461 D CB 1.019 41.759 40.800 -0.101 0.000 1.011 461 D HN 0.678 nan 8.370 nan 0.000 0.517 462 G N 0.614 109.419 108.800 0.008 0.000 3.407 462 G HA2 0.485 4.445 3.960 0.000 0.000 0.187 462 G HA3 0.485 4.445 3.960 0.000 0.000 0.187 462 G C -0.925 174.008 174.900 0.055 0.000 1.262 462 G CA -0.321 44.803 45.100 0.040 0.000 0.808 462 G HN 0.306 nan 8.290 nan 0.000 0.687 463 L N -0.448 120.811 121.223 0.060 0.000 2.330 463 L HA 0.833 5.173 4.340 0.000 0.000 0.271 463 L C -1.439 175.477 176.870 0.076 0.000 1.013 463 L CA -0.835 54.048 54.840 0.071 0.000 0.816 463 L CB 2.086 44.179 42.059 0.057 0.000 1.287 463 L HN 0.316 nan 8.230 nan 0.000 0.435 464 L N 3.105 124.403 121.223 0.126 0.000 2.454 464 L HA 0.477 4.817 4.340 0.000 0.000 0.258 464 L C -0.793 176.210 176.870 0.221 0.000 1.025 464 L CA 0.168 55.099 54.840 0.152 0.000 0.901 464 L CB 1.187 43.366 42.059 0.201 0.000 1.210 464 L HN 0.635 nan 8.230 nan 0.000 0.457 465 T N 3.876 118.492 114.554 0.103 0.000 2.875 465 T HA 0.288 4.638 4.350 0.000 0.000 0.307 465 T C 0.195 174.939 174.700 0.074 0.000 1.013 465 T CA -0.255 61.899 62.100 0.090 0.000 0.970 465 T CB 0.314 69.193 68.868 0.018 0.000 0.986 465 T HN 0.249 nan 8.240 nan 0.000 0.536 466 V N 4.717 124.723 119.914 0.154 0.000 2.458 466 V HA 0.020 4.140 4.120 0.000 0.000 0.287 466 V C 1.102 177.208 176.094 0.020 0.000 1.009 466 V CA 0.217 62.529 62.300 0.021 0.000 1.091 466 V CB 0.085 31.812 31.823 -0.160 0.000 0.960 466 V HN 0.818 nan 8.190 nan 0.000 0.476 467 T N 9.087 123.632 114.554 -0.016 0.000 3.414 467 T HA 0.169 4.519 4.350 0.000 0.000 0.304 467 T C -1.989 172.691 174.700 -0.033 0.000 1.241 467 T CA -0.853 61.237 62.100 -0.017 0.000 1.076 467 T CB 0.195 69.055 68.868 -0.013 0.000 1.134 467 T HN 0.579 nan 8.240 nan 0.000 0.759 468 P HA 0.058 nan 4.420 nan 0.000 0.244 468 P C 1.487 178.765 177.300 -0.036 0.000 1.723 468 P CA -0.133 62.942 63.100 -0.043 0.000 1.110 468 P CB -0.250 31.431 31.700 -0.031 0.000 1.972 469 V N 1.123 121.006 119.914 -0.050 0.000 2.278 469 V HA -0.221 3.899 4.120 0.000 0.000 0.251 469 V C 1.355 177.425 176.094 -0.040 0.000 1.062 469 V CA 1.330 63.602 62.300 -0.046 0.000 1.038 469 V CB -1.493 30.294 31.823 -0.059 0.000 0.646 469 V HN 0.197 nan 8.190 nan 0.000 0.447 470 L N 0.724 121.915 121.223 -0.054 0.000 2.387 470 L HA 0.366 4.706 4.340 0.000 0.000 0.267 470 L C 1.022 177.881 176.870 -0.018 0.000 1.197 470 L CA 0.203 55.018 54.840 -0.042 0.000 1.070 470 L CB 0.284 42.305 42.059 -0.063 0.000 1.349 470 L HN 0.159 nan 8.230 nan 0.000 0.422 471 L N 2.163 123.382 121.223 -0.006 0.000 2.450 471 L HA -0.030 4.310 4.340 0.000 0.000 0.224 471 L C 1.079 177.960 176.870 0.019 0.000 1.149 471 L CA 0.767 55.614 54.840 0.012 0.000 0.816 471 L CB -0.577 41.490 42.059 0.014 0.000 0.932 471 L HN 0.410 nan 8.230 nan 0.000 0.449 472 R N 1.677 122.182 120.500 0.008 0.000 2.343 472 R HA 0.075 4.415 4.340 0.000 0.000 0.326 472 R C -0.069 176.242 176.300 0.017 0.000 1.055 472 R CA 0.088 56.196 56.100 0.012 0.000 0.961 472 R CB -0.803 29.499 30.300 0.003 0.000 0.978 472 R HN 0.246 nan 8.270 nan 0.000 0.443 473 E N 1.302 121.521 120.200 0.032 0.000 5.193 473 E HA -0.131 4.219 4.350 0.000 0.000 0.181 473 E C -1.213 175.415 176.600 0.047 0.000 1.240 473 E CA 0.178 56.600 56.400 0.037 0.000 1.194 473 E CB -0.474 29.242 29.700 0.027 0.000 1.015 473 E HN 0.691 nan 8.360 nan 0.000 0.369 474 T N 1.620 116.214 114.554 0.066 0.000 2.851 474 T HA 0.335 4.685 4.350 0.000 0.000 0.298 474 T C 0.527 175.274 174.700 0.080 0.000 0.977 474 T CA -0.174 61.970 62.100 0.073 0.000 1.126 474 T CB 1.370 70.298 68.868 0.099 0.000 0.916 474 T HN 0.272 nan 8.240 nan 0.000 0.529 475 T N 3.307 117.905 114.554 0.075 0.000 2.853 475 T HA 0.068 4.418 4.350 0.000 0.000 0.298 475 T C -0.501 174.277 174.700 0.131 0.000 0.978 475 T CA -0.032 62.124 62.100 0.093 0.000 1.152 475 T CB -0.326 68.582 68.868 0.067 0.000 0.914 475 T HN 0.651 nan 8.240 nan 0.000 0.539 476 Y N 4.323 124.623 120.300 0.000 0.000 2.676 476 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 476 Y C 0.408 176.313 175.900 0.008 0.000 1.057 476 Y CA -0.824 57.271 58.100 -0.008 0.000 1.314 476 Y CB -0.252 38.194 38.460 -0.023 0.000 1.164 476 Y HN 0.703 nan 8.280 nan 0.000 0.509 477 K N 4.424 124.775 120.400 -0.081 0.000 4.387 477 K HA -0.239 4.081 4.320 0.000 0.000 0.290 477 K C 1.024 177.649 176.600 0.040 0.000 0.936 477 K CA 0.655 56.892 56.287 -0.083 0.000 0.890 477 K CB -1.681 30.678 32.500 -0.234 0.000 1.617 477 K HN 1.157 nan 8.250 nan 0.000 0.437 478 G N 0.804 109.645 108.800 0.069 0.000 2.382 478 G HA2 -0.392 3.568 3.960 0.000 0.000 0.259 478 G HA3 -0.392 3.568 3.960 0.000 0.000 0.259 478 G C 0.007 174.963 174.900 0.094 0.000 1.009 478 G CA 0.887 46.040 45.100 0.088 0.000 0.625 478 G HN 0.611 nan 8.290 nan 0.000 0.541 479 E N 0.974 121.246 120.200 0.120 0.000 1.932 479 E HA 0.388 4.738 4.350 0.000 0.000 0.275 479 E C 0.366 177.030 176.600 0.107 0.000 1.159 479 E CA -0.494 55.979 56.400 0.121 0.000 0.905 479 E CB 1.140 30.942 29.700 0.169 0.000 1.059 479 E HN 0.171 nan 8.360 nan 0.000 0.400 480 V N 4.839 124.801 119.914 0.079 0.000 2.399 480 V HA -0.036 4.084 4.120 0.000 0.000 0.245 480 V C 0.229 176.352 176.094 0.049 0.000 1.089 480 V CA 0.343 62.681 62.300 0.064 0.000 1.196 480 V CB -0.328 31.529 31.823 0.057 0.000 1.221 480 V HN 0.332 nan 8.190 nan 0.000 0.482 481 V N 3.727 123.672 119.914 0.051 0.000 2.715 481 V HA 0.396 4.516 4.120 0.000 0.000 0.310 481 V C 0.844 176.952 176.094 0.024 0.000 1.054 481 V CA -0.576 61.738 62.300 0.025 0.000 0.928 481 V CB 2.299 34.120 31.823 -0.003 0.000 1.007 481 V HN 0.742 nan 8.190 nan 0.000 0.437 482 D N 3.968 124.375 120.400 0.012 0.000 2.348 482 D HA 0.156 4.796 4.640 0.000 0.000 0.248 482 D C 0.232 176.542 176.300 0.016 0.000 1.142 482 D CA 0.593 54.603 54.000 0.017 0.000 0.904 482 D CB 0.467 41.276 40.800 0.014 0.000 0.901 482 D HN 0.556 nan 8.370 nan 0.000 0.523 483 A N 0.826 123.644 122.820 -0.003 0.000 2.356 483 A HA 0.546 4.866 4.320 0.000 0.000 0.310 483 A C -0.695 176.870 177.584 -0.031 0.000 1.075 483 A CA -0.573 51.445 52.037 -0.031 0.000 0.746 483 A CB 1.541 20.479 19.000 -0.104 0.000 1.221 483 A HN -0.007 nan 8.150 nan 0.000 0.443 484 I N 3.788 124.343 120.570 -0.024 0.000 2.411 484 I HA 0.319 4.489 4.170 0.000 0.000 0.284 484 I C -0.110 175.904 176.117 -0.172 0.000 1.012 484 I CA -0.707 60.525 61.300 -0.112 0.000 1.119 484 I CB 1.173 39.010 38.000 -0.272 0.000 1.261 484 I HN 0.458 nan 8.210 nan 0.000 0.448 485 V N 6.087 125.925 119.914 -0.127 0.000 2.250 485 V HA 0.424 4.544 4.120 0.000 0.000 0.268 485 V C -2.195 173.901 176.094 0.004 0.000 1.043 485 V CA -1.608 60.638 62.300 -0.091 0.000 0.814 485 V CB 1.097 32.832 31.823 -0.147 0.000 1.072 485 V HN 0.326 nan 8.190 nan 0.000 0.451 486 P HA -0.140 nan 4.420 nan 0.000 0.213 486 P C 1.937 179.249 177.300 0.020 0.000 1.170 486 P CA 2.772 65.843 63.100 -0.048 0.000 0.898 486 P CB 0.232 31.919 31.700 -0.022 0.000 0.787 487 A N -0.680 122.154 122.820 0.023 0.000 2.024 487 A HA -0.203 4.117 4.320 0.000 0.000 0.220 487 A C 2.086 179.693 177.584 0.039 0.000 1.164 487 A CA 2.528 54.579 52.037 0.024 0.000 0.643 487 A CB -1.915 17.095 19.000 0.016 0.000 0.806 487 A HN 0.383 nan 8.150 nan 0.000 0.451 488 T N -3.107 111.489 114.554 0.070 0.000 3.067 488 T HA 0.050 4.400 4.350 0.000 0.000 0.261 488 T C 1.553 176.339 174.700 0.144 0.000 1.110 488 T CA 0.917 63.082 62.100 0.109 0.000 1.113 488 T CB -0.382 68.570 68.868 0.140 0.000 0.917 488 T HN 0.099 nan 8.240 nan 0.000 0.499 489 V N 0.887 120.882 119.914 0.135 0.000 2.490 489 V HA -0.013 4.107 4.120 0.000 0.000 0.250 489 V C 1.581 177.667 176.094 -0.013 0.000 1.061 489 V CA 0.733 63.037 62.300 0.007 0.000 1.064 489 V CB -1.071 30.728 31.823 -0.041 0.000 0.670 489 V HN 0.495 nan 8.190 nan 0.000 0.461 490 M N 0.667 120.273 119.600 0.010 0.000 2.240 490 M HA 0.261 4.741 4.480 0.000 0.000 0.346 490 M C 1.031 177.333 176.300 0.003 0.000 1.236 490 M CA 0.818 56.122 55.300 0.006 0.000 0.986 490 M CB -0.490 32.115 32.600 0.008 0.000 1.786 490 M HN 0.512 nan 8.290 nan 0.000 0.457 491 A N 3.717 126.537 122.820 -0.000 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.556 178.136 177.584 -0.006 0.000 1.393 491 A CA 1.646 53.682 52.037 -0.001 0.000 0.909 491 A CB -2.421 16.581 19.000 0.002 0.000 1.012 491 A HN 0.911 nan 8.150 nan 0.000 0.653 492 N N -0.351 118.339 118.700 -0.017 0.000 2.351 492 N HA 0.129 4.869 4.740 0.000 0.000 0.254 492 N C -0.601 174.882 175.510 -0.045 0.000 1.241 492 N CA 0.084 53.117 53.050 -0.028 0.000 0.883 492 N CB 0.634 39.105 38.487 -0.027 0.000 1.202 492 N HN 0.627 nan 8.380 nan 0.000 0.512 493 Q N 0.751 120.532 119.800 -0.032 0.000 2.263 493 Q HA 0.197 4.537 4.340 0.000 0.000 0.262 493 Q C -0.221 175.772 176.000 -0.011 0.000 0.984 493 Q CA -0.313 55.473 55.803 -0.028 0.000 0.813 493 Q CB 2.149 30.865 28.738 -0.037 0.000 1.299 493 Q HN 0.193 nan 8.270 nan 0.000 0.428 494 T N -1.777 112.772 114.554 -0.009 0.000 2.899 494 T HA 0.340 4.690 4.350 0.000 0.000 0.284 494 T C 1.212 175.915 174.700 0.005 0.000 1.004 494 T CA -0.322 61.776 62.100 -0.002 0.000 1.043 494 T CB 1.088 69.953 68.868 -0.005 0.000 1.013 494 T HN 0.334 nan 8.240 nan 0.000 0.518 495 S N 0.394 116.098 115.700 0.007 0.000 2.370 495 S HA -0.131 4.339 4.470 0.000 0.000 0.226 495 S C 1.986 176.599 174.600 0.021 0.000 1.033 495 S CA 0.925 59.132 58.200 0.013 0.000 1.011 495 S CB -0.474 62.731 63.200 0.008 0.000 0.852 495 S HN 0.796 nan 8.310 nan 0.000 0.457 496 E N 1.165 121.375 120.200 0.016 0.000 2.097 496 E HA -0.205 4.145 4.350 0.000 0.000 0.196 496 E C 1.985 178.606 176.600 0.034 0.000 1.000 496 E CA 1.278 57.691 56.400 0.022 0.000 0.804 496 E CB -0.158 29.546 29.700 0.008 0.000 0.740 496 E HN 0.618 nan 8.360 nan 0.000 0.454 497 E N -0.410 119.804 120.200 0.023 0.000 2.047 497 E HA -0.128 4.222 4.350 0.000 0.000 0.191 497 E C 2.261 178.896 176.600 0.057 0.000 0.987 497 E CA 1.196 57.612 56.400 0.028 0.000 0.799 497 E CB 0.090 29.791 29.700 0.003 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.680 121.621 119.914 0.045 0.000 2.252 498 V HA -0.340 3.780 4.120 0.000 0.000 0.249 498 V C 2.411 178.566 176.094 0.102 0.000 1.056 498 V CA 2.043 64.377 62.300 0.058 0.000 1.022 498 V CB -1.031 30.814 31.823 0.036 0.000 0.641 498 V HN 0.339 nan 8.190 nan 0.000 0.445 499 A N 1.028 123.905 122.820 0.095 0.000 1.917 499 A HA -0.274 4.046 4.320 0.000 0.000 0.219 499 A C 2.577 180.319 177.584 0.264 0.000 1.182 499 A CA 2.889 55.002 52.037 0.127 0.000 0.633 499 A CB -0.984 18.065 19.000 0.081 0.000 0.819 499 A HN 0.755 nan 8.150 nan 0.000 0.448 500 S N 0.504 116.353 115.700 0.249 0.000 2.368 500 S HA 0.176 4.646 4.470 0.000 0.000 0.225 500 S C 1.299 176.181 174.600 0.471 0.000 1.030 500 S CA 0.658 59.050 58.200 0.319 0.000 0.999 500 S CB -1.187 62.073 63.200 0.100 0.000 0.844 500 S HN 1.337 nan 8.310 nan 0.000 0.459 501 A N 2.160 125.179 122.820 0.331 0.000 2.587 501 A HA 0.335 4.655 4.320 0.000 0.000 0.233 501 A C 0.461 178.227 177.584 0.305 0.000 1.049 501 A CA -0.145 52.068 52.037 0.293 0.000 0.754 501 A CB -0.488 18.603 19.000 0.152 0.000 0.977 501 A HN 0.606 nan 8.150 nan 0.000 0.509 502 L N 1.859 123.145 121.223 0.106 0.000 2.483 502 L HA 0.085 4.425 4.340 0.000 0.000 0.276 502 L C 1.952 178.868 176.870 0.078 0.000 1.213 502 L CA 0.219 55.025 54.840 -0.057 0.000 0.843 502 L CB 0.188 42.086 42.059 -0.268 0.000 1.107 502 L HN 0.955 nan 8.230 nan 0.000 0.487 503 A N 2.699 125.583 122.820 0.107 0.000 1.971 503 A HA -0.263 4.057 4.320 0.000 0.000 0.222 503 A C 1.812 179.423 177.584 0.046 0.000 1.182 503 A CA 2.214 54.297 52.037 0.076 0.000 0.649 503 A CB -0.683 18.352 19.000 0.058 0.000 0.818 503 A HN 0.941 nan 8.150 nan 0.000 0.458 504 N N 0.556 119.270 118.700 0.023 0.000 2.535 504 N HA -0.062 4.678 4.740 0.000 0.000 0.203 504 N C -0.969 174.567 175.510 0.042 0.000 1.301 504 N CA 0.382 53.449 53.050 0.029 0.000 0.859 504 N CB -0.336 38.152 38.487 0.003 0.000 1.055 504 N HN 0.454 nan 8.380 nan 0.000 0.457 505 D N -0.465 119.962 120.400 0.044 0.000 2.502 505 D HA 0.255 4.895 4.640 0.000 0.000 0.249 505 D C 0.853 177.166 176.300 0.021 0.000 1.092 505 D CA -0.291 53.730 54.000 0.034 0.000 0.839 505 D CB 2.141 42.955 40.800 0.024 0.000 1.264 505 D HN 0.112 nan 8.370 nan 0.000 0.511 506 A N 4.878 127.700 122.820 0.004 0.000 1.941 506 A HA -0.314 4.006 4.320 0.000 0.000 0.233 506 A C 2.181 179.735 177.584 -0.050 0.000 1.649 506 A CA 2.451 54.460 52.037 -0.046 0.000 0.726 506 A CB -1.016 17.955 19.000 -0.048 0.000 0.843 506 A HN 0.789 nan 8.150 nan 0.000 0.511 507 I N -0.113 120.429 120.570 -0.047 0.000 2.103 507 I HA -0.326 3.844 4.170 0.000 0.000 0.241 507 I C 2.425 178.551 176.117 0.015 0.000 1.036 507 I CA 2.913 64.202 61.300 -0.019 0.000 1.300 507 I CB -2.323 35.667 38.000 -0.016 0.000 1.010 507 I HN 0.561 nan 8.210 nan 0.000 0.406 508 V N -0.379 119.550 119.914 0.025 0.000 2.667 508 V HA -0.101 4.019 4.120 0.000 0.000 0.252 508 V C 2.657 178.756 176.094 0.008 0.000 1.065 508 V CA 1.137 63.451 62.300 0.023 0.000 1.083 508 V CB -1.100 30.738 31.823 0.026 0.000 0.692 508 V HN 0.427 nan 8.190 nan 0.000 0.468 509 L N 0.208 121.461 121.223 0.050 0.000 2.046 509 L HA -0.085 4.255 4.340 0.000 0.000 0.208 509 L C 2.678 179.569 176.870 0.036 0.000 1.077 509 L CA 1.497 56.392 54.840 0.092 0.000 0.747 509 L CB -0.823 41.434 42.059 0.329 0.000 0.896 509 L HN 0.245 nan 8.230 nan 0.000 0.432 510 V N -1.281 118.748 119.914 0.192 0.000 2.270 510 V HA -0.281 3.839 4.120 0.000 0.000 0.245 510 V C 2.668 178.835 176.094 0.121 0.000 1.043 510 V CA 2.016 64.466 62.300 0.249 0.000 1.014 510 V CB -0.619 31.282 31.823 0.130 0.000 0.645 510 V HN 0.408 nan 8.190 nan 0.000 0.447 511 S N 0.378 116.116 115.700 0.064 0.000 2.374 511 S HA -0.264 4.206 4.470 0.000 0.000 0.227 511 S C 1.902 176.508 174.600 0.010 0.000 1.037 511 S CA 2.176 60.413 58.200 0.062 0.000 1.024 511 S CB -0.538 62.689 63.200 0.045 0.000 0.861 511 S HN 0.674 nan 8.310 nan 0.000 0.456 512 N N 0.580 119.219 118.700 -0.102 0.000 2.104 512 N HA -0.087 4.653 4.740 0.000 0.000 0.190 512 N C 1.442 176.869 175.510 -0.138 0.000 1.024 512 N CA 1.829 54.782 53.050 -0.161 0.000 0.853 512 N CB -0.563 37.768 38.487 -0.260 0.000 1.008 512 N HN 0.654 nan 8.380 nan 0.000 0.424 513 H N -0.116 119.014 119.070 0.100 0.000 2.321 513 H HA 0.025 4.581 4.556 0.000 0.000 0.300 513 H C 1.901 177.293 175.328 0.106 0.000 1.087 513 H CA 0.918 57.013 56.048 0.078 0.000 1.319 513 H CB -0.155 29.658 29.762 0.084 0.000 1.379 513 H HN 0.081 nan 8.280 nan 0.000 0.501 514 L N 0.571 121.927 121.223 0.222 0.000 2.129 514 L HA -0.244 4.096 4.340 0.000 0.000 0.212 514 L C 1.760 178.791 176.870 0.269 0.000 1.087 514 L CA 1.230 56.229 54.840 0.265 0.000 0.757 514 L CB -0.348 41.895 42.059 0.307 0.000 0.896 514 L HN 0.358 nan 8.230 nan 0.000 0.434 515 N N -0.178 118.609 118.700 0.145 0.000 2.188 515 N HA -0.141 4.599 4.740 0.000 0.000 0.184 515 N C 1.674 177.233 175.510 0.082 0.000 1.018 515 N CA 0.962 54.060 53.050 0.079 0.000 0.858 515 N CB -0.023 38.482 38.487 0.029 0.000 0.989 515 N HN 0.294 nan 8.380 nan 0.000 0.426 516 K N 0.253 120.711 120.400 0.097 0.000 2.097 516 K HA -0.091 4.229 4.320 0.000 0.000 0.206 516 K C 1.804 178.464 176.600 0.100 0.000 1.049 516 K CA 0.708 57.048 56.287 0.089 0.000 0.933 516 K CB -0.284 32.272 32.500 0.093 0.000 0.717 516 K HN 0.092 nan 8.250 nan 0.000 0.442 517 L N 1.543 122.849 121.223 0.137 0.000 1.989 517 L HA -0.204 4.136 4.340 0.000 0.000 0.211 517 L C 2.339 179.317 176.870 0.180 0.000 1.071 517 L CA 1.993 56.925 54.840 0.152 0.000 0.749 517 L CB -0.732 41.435 42.059 0.181 0.000 0.890 517 L HN 0.169 nan 8.230 nan 0.000 0.431 518 A N -0.543 122.413 122.820 0.226 0.000 1.917 518 A HA -0.349 3.971 4.320 0.000 0.000 0.219 518 A C 2.190 179.812 177.584 0.064 0.000 1.182 518 A CA 2.306 54.425 52.037 0.136 0.000 0.633 518 A CB -1.237 17.756 19.000 -0.012 0.000 0.819 518 A HN 0.687 nan 8.150 nan 0.000 0.448 519 N N -0.564 118.167 118.700 0.052 0.000 2.104 519 N HA -0.148 4.592 4.740 0.000 0.000 0.190 519 N C 1.510 177.044 175.510 0.039 0.000 1.024 519 N CA 1.771 54.841 53.050 0.034 0.000 0.853 519 N CB -0.233 38.273 38.487 0.032 0.000 1.008 519 N HN 0.204 nan 8.380 nan 0.000 0.424 520 V N -0.136 119.810 119.914 0.054 0.000 2.261 520 V HA -0.227 3.893 4.120 0.000 0.000 0.246 520 V C 2.188 178.314 176.094 0.053 0.000 1.047 520 V CA 1.631 63.961 62.300 0.050 0.000 1.015 520 V CB -0.556 31.301 31.823 0.056 0.000 0.642 520 V HN 0.218 nan 8.190 nan 0.000 0.446 521 V N 0.990 120.947 119.914 0.071 0.000 2.343 521 V HA -0.166 3.954 4.120 0.000 0.000 0.247 521 V C 2.634 178.763 176.094 0.057 0.000 1.051 521 V CA 2.165 64.511 62.300 0.077 0.000 1.036 521 V CB -1.692 30.199 31.823 0.114 0.000 0.654 521 V HN 0.581 nan 8.190 nan 0.000 0.451 522 G N -0.716 108.110 108.800 0.044 0.000 2.408 522 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 522 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 522 G C 1.345 176.259 174.900 0.024 0.000 1.150 522 G CA 0.891 46.008 45.100 0.028 0.000 0.776 522 G HN 0.494 nan 8.290 nan 0.000 0.542 523 D N 0.339 120.753 120.400 0.024 0.000 2.194 523 D HA 0.078 4.718 4.640 0.000 0.000 0.204 523 D C 2.610 178.923 176.300 0.022 0.000 0.964 523 D CA 1.054 55.066 54.000 0.020 0.000 0.846 523 D CB 0.257 41.068 40.800 0.018 0.000 0.962 523 D HN 0.348 nan 8.370 nan 0.000 0.490 524 A N -0.076 122.761 122.820 0.028 0.000 1.993 524 A HA 0.173 4.493 4.320 0.000 0.000 0.207 524 A C 0.928 178.532 177.584 0.033 0.000 1.224 524 A CA 0.092 52.146 52.037 0.029 0.000 0.749 524 A CB 0.431 19.448 19.000 0.029 0.000 0.884 524 A HN 0.018 nan 8.150 nan 0.000 0.467 525 I N 1.290 121.884 120.570 0.041 0.000 2.392 525 I HA 0.314 4.484 4.170 0.000 0.000 0.295 525 I C -2.207 173.937 176.117 0.044 0.000 0.985 525 I CA -2.284 59.044 61.300 0.047 0.000 1.221 525 I CB 1.801 39.837 38.000 0.060 0.000 1.366 525 I HN 0.037 nan 8.210 nan 0.000 0.467 526 P HA 0.048 nan 4.420 nan 0.000 0.225 526 P C 0.350 177.676 177.300 0.044 0.000 1.813 526 P CA 0.006 63.127 63.100 0.036 0.000 1.013 526 P CB -0.049 31.668 31.700 0.028 0.000 1.961 527 V N -1.111 118.831 119.914 0.047 0.000 3.252 527 V HA 0.485 4.605 4.120 0.000 0.000 0.350 527 V C 0.970 177.085 176.094 0.035 0.000 1.329 527 V CA -0.241 62.090 62.300 0.051 0.000 1.258 527 V CB -0.691 31.172 31.823 0.067 0.000 1.208 527 V HN 0.236 nan 8.190 nan 0.000 0.462 528 A N 0.648 123.484 122.820 0.027 0.000 2.645 528 A HA 0.437 4.757 4.320 0.000 0.000 0.245 528 A C 1.348 178.941 177.584 0.016 0.000 1.758 528 A CA 0.393 52.440 52.037 0.018 0.000 0.850 528 A CB -0.608 18.401 19.000 0.015 0.000 1.656 528 A HN 0.494 nan 8.150 nan 0.000 0.641 529 S N 1.234 116.940 115.700 0.011 0.000 3.597 529 S HA 0.146 4.616 4.470 0.000 0.000 0.208 529 S C 0.453 175.061 174.600 0.012 0.000 1.091 529 S CA 0.929 59.135 58.200 0.010 0.000 1.103 529 S CB -1.107 62.097 63.200 0.006 0.000 1.369 529 S HN 0.723 nan 8.310 nan 0.000 0.447 530 R N -2.356 118.155 120.500 0.018 0.000 2.596 530 R HA -0.110 4.230 4.340 0.000 0.000 0.496 530 R C -0.527 175.786 176.300 0.022 0.000 0.691 530 R CA 0.436 56.549 56.100 0.021 0.000 1.213 530 R CB -2.977 27.333 30.300 0.016 0.000 2.014 530 R HN 0.436 nan 8.270 nan 0.000 0.392 531 T N -0.522 114.046 114.554 0.023 0.000 2.978 531 T HA 0.247 4.597 4.350 0.000 0.000 0.278 531 T C -0.091 174.630 174.700 0.034 0.000 0.945 531 T CA -0.221 61.891 62.100 0.020 0.000 1.070 531 T CB 1.169 70.046 68.868 0.016 0.000 0.948 531 T HN 0.177 nan 8.240 nan 0.000 0.617 532 D N 2.864 123.280 120.400 0.026 0.000 2.338 532 D HA 0.234 4.874 4.640 0.000 0.000 0.255 532 D C -0.554 175.742 176.300 -0.007 0.000 1.237 532 D CA -0.142 53.882 54.000 0.040 0.000 0.883 532 D CB 0.674 41.483 40.800 0.015 0.000 1.087 532 D HN 0.664 nan 8.370 nan 0.000 0.485 533 D N 0.835 121.261 120.400 0.044 0.000 2.256 533 D HA 0.151 4.791 4.640 0.000 0.000 0.246 533 D C 1.271 177.624 176.300 0.089 0.000 1.042 533 D CA -0.511 53.507 54.000 0.030 0.000 0.841 533 D CB 1.316 42.136 40.800 0.034 0.000 1.223 533 D HN 0.181 nan 8.370 nan 0.000 0.470 534 S N 2.918 118.621 115.700 0.004 0.000 2.443 534 S HA -0.370 4.100 4.470 0.000 0.000 0.246 534 S C 2.105 176.841 174.600 0.227 0.000 1.058 534 S CA 1.379 59.642 58.200 0.105 0.000 1.028 534 S CB -0.729 62.486 63.200 0.026 0.000 0.821 534 S HN 0.582 nan 8.310 nan 0.000 0.484 535 A N 2.148 125.060 122.820 0.153 0.000 1.971 535 A HA -0.164 4.156 4.320 0.000 0.000 0.222 535 A C 2.532 180.225 177.584 0.182 0.000 1.182 535 A CA 2.525 54.649 52.037 0.146 0.000 0.649 535 A CB -2.009 17.052 19.000 0.102 0.000 0.818 535 A HN 1.045 nan 8.150 nan 0.000 0.458 536 T N -1.488 113.222 114.554 0.261 0.000 3.163 536 T HA -0.002 4.348 4.350 0.000 0.000 0.260 536 T C 1.498 176.291 174.700 0.154 0.000 1.156 536 T CA 1.191 63.435 62.100 0.240 0.000 1.072 536 T CB -0.724 68.334 68.868 0.317 0.000 0.937 536 T HN 0.593 nan 8.240 nan 0.000 0.528 537 S N 1.514 117.372 115.700 0.264 0.000 2.442 537 S HA 0.090 4.560 4.470 0.000 0.000 0.236 537 S C 2.388 176.926 174.600 -0.103 0.000 1.007 537 S CA 0.511 58.763 58.200 0.086 0.000 0.965 537 S CB -0.676 62.729 63.200 0.341 0.000 0.773 537 S HN 0.736 nan 8.310 nan 0.000 0.504 538 A N 3.360 126.158 122.820 -0.036 0.000 1.865 538 A HA -0.069 4.251 4.320 0.000 0.000 0.217 538 A C 2.281 179.805 177.584 -0.101 0.000 1.191 538 A CA 1.710 53.718 52.037 -0.049 0.000 0.623 538 A CB -0.995 17.996 19.000 -0.016 0.000 0.826 538 A HN 0.734 nan 8.150 nan 0.000 0.444 539 I N -1.911 118.585 120.570 -0.124 0.000 2.394 539 I HA -0.125 4.045 4.170 0.000 0.000 0.251 539 I C 1.899 177.877 176.117 -0.232 0.000 1.136 539 I CA 1.607 62.816 61.300 -0.152 0.000 1.425 539 I CB -0.791 37.140 38.000 -0.116 0.000 1.079 539 I HN 0.082 nan 8.210 nan 0.000 0.425 540 V N 1.464 121.145 119.914 -0.388 0.000 2.453 540 V HA -0.169 3.951 4.120 0.000 0.000 0.247 540 V C 2.721 178.603 176.094 -0.354 0.000 1.048 540 V CA 2.046 64.027 62.300 -0.532 0.000 1.049 540 V CB -0.786 30.339 31.823 -1.164 0.000 0.672 540 V HN 0.443 nan 8.190 nan 0.000 0.457 541 S N -0.066 115.484 115.700 -0.249 0.000 2.382 541 S HA -0.195 4.275 4.470 0.000 0.000 0.228 541 S C 2.134 176.683 174.600 -0.084 0.000 1.027 541 S CA 1.393 59.525 58.200 -0.114 0.000 0.991 541 S CB -0.327 62.836 63.200 -0.060 0.000 0.823 541 S HN 0.412 nan 8.310 nan 0.000 0.469 542 R N 1.426 121.869 120.500 -0.095 0.000 2.075 542 R HA 0.159 4.499 4.340 0.000 0.000 0.232 542 R C 2.065 178.322 176.300 -0.072 0.000 1.126 542 R CA 1.107 57.164 56.100 -0.071 0.000 0.963 542 R CB -0.904 29.355 30.300 -0.069 0.000 0.858 542 R HN 0.380 nan 8.270 nan 0.000 0.435 543 L N -0.483 120.675 121.223 -0.108 0.000 2.046 543 L HA -0.159 4.181 4.340 0.000 0.000 0.208 543 L C 2.319 179.149 176.870 -0.068 0.000 1.077 543 L CA 1.489 56.271 54.840 -0.097 0.000 0.747 543 L CB -0.524 41.443 42.059 -0.154 0.000 0.896 543 L HN 0.292 nan 8.230 nan 0.000 0.432 544 A N -0.593 122.157 122.820 -0.116 0.000 1.933 544 A HA -0.150 4.170 4.320 0.000 0.000 0.218 544 A C 2.184 179.756 177.584 -0.020 0.000 1.175 544 A CA 1.921 53.901 52.037 -0.094 0.000 0.628 544 A CB -0.687 18.221 19.000 -0.154 0.000 0.814 544 A HN 0.264 nan 8.150 nan 0.000 0.444 545 V N -0.476 119.426 119.914 -0.021 0.000 2.591 545 V HA -0.229 3.891 4.120 0.000 0.000 0.249 545 V C 2.402 178.485 176.094 -0.019 0.000 1.053 545 V CA 1.708 64.001 62.300 -0.012 0.000 1.068 545 V CB -1.048 30.771 31.823 -0.007 0.000 0.689 545 V HN 0.595 nan 8.190 nan 0.000 0.462 546 Q N -0.149 119.644 119.800 -0.013 0.000 2.181 546 Q HA -0.241 4.099 4.340 0.000 0.000 0.205 546 Q C 1.972 177.971 176.000 -0.002 0.000 0.980 546 Q CA 1.649 57.449 55.803 -0.006 0.000 0.862 546 Q CB -0.306 28.431 28.738 -0.002 0.000 0.905 546 Q HN 0.687 nan 8.270 nan 0.000 0.429 547 H N 0.893 119.933 119.070 -0.049 0.000 2.574 547 H HA 0.079 4.635 4.556 0.000 0.000 0.277 547 H C -0.114 175.197 175.328 -0.029 0.000 1.058 547 H CA 0.462 56.484 56.048 -0.043 0.000 1.171 547 H CB -0.246 29.480 29.762 -0.059 0.000 1.304 547 H HN -0.159 nan 8.280 nan 0.000 0.620 548 K N 0.853 121.108 120.400 -0.243 0.000 2.502 548 K HA 0.117 4.437 4.320 0.000 0.000 0.244 548 K C -0.749 175.736 176.600 -0.192 0.000 1.249 548 K CA -0.237 55.919 56.287 -0.219 0.000 1.193 548 K CB -0.902 31.535 32.500 -0.105 0.000 1.674 548 K HN 0.156 nan 8.250 nan 0.000 0.302 549 L N 1.626 122.672 121.223 -0.297 0.000 2.395 549 L HA 0.168 4.508 4.340 0.000 0.000 0.268 549 L C 0.125 176.922 176.870 -0.121 0.000 1.223 549 L CA 0.248 54.982 54.840 -0.177 0.000 1.093 549 L CB 0.190 42.160 42.059 -0.147 0.000 1.349 549 L HN 0.256 nan 8.230 nan 0.000 0.427 550 S N 1.138 116.787 115.700 -0.085 0.000 2.489 550 S HA 0.682 5.152 4.470 0.000 0.000 0.291 550 S C 0.034 174.612 174.600 -0.036 0.000 1.151 550 S CA -0.587 57.579 58.200 -0.056 0.000 1.082 550 S CB 1.185 64.358 63.200 -0.044 0.000 1.019 550 S HN 0.550 nan 8.310 nan 0.000 0.492 551 Q N 1.317 121.102 119.800 -0.025 0.000 3.182 551 Q HA 0.556 4.896 4.340 0.000 0.000 0.212 551 Q C -0.563 175.430 176.000 -0.012 0.000 1.099 551 Q CA -0.673 55.120 55.803 -0.016 0.000 0.680 551 Q CB 0.024 28.755 28.738 -0.012 0.000 3.554 551 Q HN 0.621 nan 8.270 nan 0.000 0.361 552 V N -1.150 118.759 119.914 -0.008 0.000 2.439 552 V HA 0.846 4.966 4.120 0.000 0.000 0.282 552 V C 0.593 176.685 176.094 -0.003 0.000 1.039 552 V CA 0.423 62.720 62.300 -0.005 0.000 0.913 552 V CB 0.177 31.998 31.823 -0.004 0.000 0.983 552 V HN 0.914 nan 8.190 nan 0.000 0.460 553 G N 3.417 112.215 108.800 -0.002 0.000 2.652 553 G HA2 -0.294 3.666 3.960 0.000 0.000 0.278 553 G HA3 -0.294 3.666 3.960 0.000 0.000 0.278 553 G C 0.370 175.271 174.900 0.001 0.000 1.263 553 G CA 0.560 45.660 45.100 -0.000 0.000 0.966 553 G HN 1.351 nan 8.290 nan 0.000 0.544 554 Q N 2.297 122.098 119.800 0.002 0.000 2.452 554 Q HA 0.546 4.886 4.340 0.000 0.000 0.230 554 Q C 0.792 176.793 176.000 0.002 0.000 1.180 554 Q CA 0.476 56.282 55.803 0.004 0.000 0.914 554 Q CB -0.058 28.684 28.738 0.007 0.000 1.408 554 Q HN 1.134 nan 8.270 nan 0.000 0.520 555 A N 2.982 125.800 122.820 -0.002 0.000 2.346 555 A HA 0.082 4.402 4.320 0.000 0.000 0.255 555 A C 0.315 177.898 177.584 -0.000 0.000 1.113 555 A CA -0.023 52.008 52.037 -0.009 0.000 0.798 555 A CB 0.304 19.291 19.000 -0.022 0.000 1.073 555 A HN 0.770 nan 8.150 nan 0.000 0.502 556 S N 1.389 117.086 115.700 -0.006 0.000 3.106 556 S HA 0.134 4.604 4.470 0.000 0.000 0.363 556 S C -1.813 172.817 174.600 0.050 0.000 1.191 556 S CA -0.485 57.730 58.200 0.026 0.000 1.191 556 S CB -0.320 62.897 63.200 0.028 0.000 0.884 556 S HN 0.477 nan 8.310 nan 0.000 0.526 557 P HA 0.200 nan 4.420 nan 0.000 0.225 557 P C -0.909 176.433 177.300 0.070 0.000 1.830 557 P CA -0.504 62.629 63.100 0.055 0.000 1.051 557 P CB -0.219 31.503 31.700 0.037 0.000 1.929 558 T N 2.911 117.529 114.554 0.105 0.000 2.794 558 T HA 0.278 4.628 4.350 0.000 0.000 0.304 558 T C -2.268 172.483 174.700 0.086 0.000 0.973 558 T CA -1.608 60.560 62.100 0.113 0.000 0.972 558 T CB -0.210 68.798 68.868 0.233 0.000 0.952 558 T HN 0.160 nan 8.240 nan 0.000 0.509 559 P HA 0.124 nan 4.420 nan 0.000 0.258 559 P C -2.292 175.062 177.300 0.090 0.000 1.187 559 P CA -0.979 62.163 63.100 0.070 0.000 0.767 559 P CB -0.590 31.143 31.700 0.055 0.000 0.770 560 P HA -0.174 nan 4.420 nan 0.000 0.265 560 P C 0.262 177.640 177.300 0.130 0.000 1.151 560 P CA 0.676 63.898 63.100 0.203 0.000 0.755 560 P CB 0.365 32.281 31.700 0.361 0.000 0.756 561 D N 1.364 121.662 120.400 -0.170 0.000 2.347 561 D HA -0.232 4.408 4.640 0.000 0.000 0.208 561 D C 1.249 177.284 176.300 -0.442 0.000 0.994 561 D CA 1.599 55.329 54.000 -0.451 0.000 0.924 561 D CB -0.602 39.847 40.800 -0.583 0.000 0.892 561 D HN 0.554 nan 8.370 nan 0.000 0.471 562 Y N -0.101 120.311 120.300 0.186 0.000 2.242 562 Y HA -0.026 4.524 4.550 0.000 0.000 0.291 562 Y C -0.404 175.705 175.900 0.348 0.000 1.137 562 Y CA 0.498 58.804 58.100 0.342 0.000 1.181 562 Y CB -1.671 36.954 38.460 0.275 0.000 0.989 562 Y HN 0.228 nan 8.280 nan 0.000 0.527 563 P HA -0.053 nan 4.420 nan 0.000 0.212 563 P C 1.658 179.054 177.300 0.160 0.000 1.171 563 P CA 1.131 64.342 63.100 0.185 0.000 0.892 563 P CB -0.028 31.739 31.700 0.112 0.000 0.769 564 L N -0.910 120.359 121.223 0.077 0.000 1.980 564 L HA -0.248 4.092 4.340 0.000 0.000 0.232 564 L C 2.694 179.555 176.870 -0.014 0.000 1.092 564 L CA 1.766 56.614 54.840 0.013 0.000 0.808 564 L CB -1.677 40.362 42.059 -0.032 0.000 0.908 564 L HN -0.092 nan 8.230 nan 0.000 0.442 565 L N -1.745 119.433 121.223 -0.075 0.000 2.141 565 L HA -0.195 4.145 4.340 0.000 0.000 0.209 565 L C 2.270 179.069 176.870 -0.118 0.000 1.094 565 L CA 1.402 56.162 54.840 -0.133 0.000 0.763 565 L CB -0.763 41.168 42.059 -0.215 0.000 0.908 565 L HN 0.377 nan 8.230 nan 0.000 0.437 566 W N 1.205 122.460 121.300 -0.075 0.000 2.335 566 W HA -0.211 4.449 4.660 0.000 0.000 0.311 566 W C 2.701 179.212 176.519 -0.014 0.000 1.213 566 W CA 1.726 59.054 57.345 -0.028 0.000 1.274 566 W CB -0.390 29.073 29.460 0.003 0.000 1.148 566 W HN 0.150 nan 8.180 nan 0.000 0.498 567 R N -0.483 120.153 120.500 0.226 0.000 2.073 567 R HA -0.108 4.232 4.340 0.000 0.000 0.229 567 R C 2.282 178.626 176.300 0.073 0.000 1.120 567 R CA 1.529 57.717 56.100 0.148 0.000 0.967 567 R CB -0.544 29.817 30.300 0.103 0.000 0.862 567 R HN 0.090 nan 8.270 nan 0.000 0.436 568 R N 0.707 121.223 120.500 0.026 0.000 2.091 568 R HA -0.113 4.227 4.340 0.000 0.000 0.238 568 R C 2.306 178.599 176.300 -0.012 0.000 1.136 568 R CA 1.645 57.741 56.100 -0.007 0.000 0.959 568 R CB -0.455 29.821 30.300 -0.041 0.000 0.856 568 R HN 0.219 nan 8.270 nan 0.000 0.437 569 A N 1.164 123.962 122.820 -0.037 0.000 1.929 569 A HA -0.154 4.166 4.320 0.000 0.000 0.216 569 A C 2.056 179.641 177.584 0.002 0.000 1.176 569 A CA 1.384 53.386 52.037 -0.060 0.000 0.628 569 A CB -0.256 18.640 19.000 -0.173 0.000 0.816 569 A HN 0.156 nan 8.150 nan 0.000 0.444 570 K N 0.217 120.655 120.400 0.063 0.000 2.026 570 K HA -0.134 4.186 4.320 0.000 0.000 0.208 570 K C 2.096 178.737 176.600 0.069 0.000 1.048 570 K CA 1.726 58.070 56.287 0.096 0.000 0.929 570 K CB -0.317 32.268 32.500 0.141 0.000 0.713 570 K HN 0.420 nan 8.250 nan 0.000 0.439 571 R N -0.278 120.255 120.500 0.054 0.000 2.133 571 R HA -0.211 4.129 4.340 0.000 0.000 0.245 571 R C 2.364 178.688 176.300 0.040 0.000 1.137 571 R CA 1.932 58.056 56.100 0.040 0.000 0.947 571 R CB -0.701 29.616 30.300 0.027 0.000 0.865 571 R HN 0.372 nan 8.270 nan 0.000 0.437 572 A N 0.655 123.497 122.820 0.038 0.000 1.969 572 A HA -0.023 4.297 4.320 0.000 0.000 0.218 572 A C 2.336 179.978 177.584 0.097 0.000 1.169 572 A CA 1.382 53.451 52.037 0.053 0.000 0.635 572 A CB -0.588 18.431 19.000 0.031 0.000 0.810 572 A HN 0.434 nan 8.150 nan 0.000 0.445 573 A N -0.546 122.331 122.820 0.095 0.000 1.892 573 A HA -0.192 4.128 4.320 0.000 0.000 0.218 573 A C 2.480 180.156 177.584 0.153 0.000 1.188 573 A CA 2.334 54.463 52.037 0.153 0.000 0.631 573 A CB -1.108 17.961 19.000 0.116 0.000 0.822 573 A HN 0.516 nan 8.150 nan 0.000 0.447 574 S N -1.365 114.385 115.700 0.085 0.000 2.353 574 S HA -0.212 4.258 4.470 0.000 0.000 0.222 574 S C 2.038 176.643 174.600 0.007 0.000 1.035 574 S CA 2.116 60.339 58.200 0.039 0.000 1.025 574 S CB -0.383 62.837 63.200 0.034 0.000 0.902 574 S HN 0.402 nan 8.310 nan 0.000 0.440 575 M N 0.592 120.207 119.600 0.025 0.000 2.082 575 M HA -0.017 4.463 4.480 0.000 0.000 0.258 575 M C 1.735 178.027 176.300 -0.013 0.000 1.069 575 M CA 1.383 56.689 55.300 0.011 0.000 1.102 575 M CB -1.135 31.487 32.600 0.038 0.000 1.336 575 M HN 0.485 nan 8.290 nan 0.000 0.404 576 F N 0.220 120.174 119.950 0.007 0.000 2.091 576 F HA -0.212 4.315 4.527 0.000 0.000 0.299 576 F C 2.083 177.890 175.800 0.012 0.000 1.103 576 F CA 1.537 59.543 58.000 0.009 0.000 1.228 576 F CB -0.722 38.284 39.000 0.010 0.000 0.984 576 F HN -0.046 nan 8.300 nan 0.000 0.477 577 V N 0.508 120.115 119.914 -0.512 0.000 2.295 577 V HA -0.325 3.795 4.120 0.000 0.000 0.246 577 V C 2.673 178.586 176.094 -0.301 0.000 1.049 577 V CA 2.151 64.204 62.300 -0.413 0.000 1.024 577 V CB -1.486 30.259 31.823 -0.129 0.000 0.648 577 V HN 0.570 nan 8.190 nan 0.000 0.447 578 S N -0.232 115.352 115.700 -0.193 0.000 2.419 578 S HA -0.140 4.330 4.470 0.000 0.000 0.235 578 S C 1.025 175.543 174.600 -0.137 0.000 1.019 578 S CA 1.429 59.549 58.200 -0.134 0.000 0.982 578 S CB -0.279 62.874 63.200 -0.078 0.000 0.789 578 S HN 0.613 nan 8.310 nan 0.000 0.490 579 N N 0.622 119.212 118.700 -0.184 0.000 2.629 579 N HA 0.341 5.081 4.740 0.000 0.000 0.277 579 N C -2.904 172.473 175.510 -0.222 0.000 1.188 579 N CA -1.636 51.317 53.050 -0.162 0.000 0.835 579 N CB 1.789 40.228 38.487 -0.080 0.000 1.420 579 N HN -0.181 nan 8.380 nan 0.000 0.542 580 P HA -0.163 nan 4.420 nan 0.000 0.217 580 P C 1.399 178.761 177.300 0.103 0.000 1.148 580 P CA 1.501 64.485 63.100 -0.194 0.000 0.828 580 P CB 0.263 31.910 31.700 -0.088 0.000 0.783 581 S N -0.557 115.168 115.700 0.041 0.000 2.419 581 S HA -0.179 4.292 4.470 0.000 0.000 0.235 581 S C 1.884 176.531 174.600 0.078 0.000 1.019 581 S CA 1.115 59.353 58.200 0.064 0.000 0.982 581 S CB -1.813 61.404 63.200 0.030 0.000 0.789 581 S HN 0.101 nan 8.310 nan 0.000 0.490 582 L N 1.311 122.579 121.223 0.075 0.000 2.270 582 L HA -0.187 4.153 4.340 0.000 0.000 0.217 582 L C 3.048 179.987 176.870 0.114 0.000 1.107 582 L CA 1.125 56.015 54.840 0.084 0.000 0.772 582 L CB -0.897 41.207 42.059 0.075 0.000 0.902 582 L HN 0.510 nan 8.230 nan 0.000 0.439 583 A N -0.117 122.811 122.820 0.180 0.000 2.019 583 A HA -0.117 4.203 4.320 0.000 0.000 0.219 583 A C 2.139 179.763 177.584 0.066 0.000 1.164 583 A CA 1.444 53.562 52.037 0.134 0.000 0.644 583 A CB -0.436 18.652 19.000 0.148 0.000 0.805 583 A HN 0.449 nan 8.150 nan 0.000 0.449 584 L N -1.136 120.127 121.223 0.067 0.000 2.529 584 L HA 0.083 4.423 4.340 0.000 0.000 0.223 584 L C 0.578 177.460 176.870 0.020 0.000 1.113 584 L CA 0.005 54.864 54.840 0.033 0.000 0.861 584 L CB -0.031 42.045 42.059 0.028 0.000 1.012 584 L HN 0.331 nan 8.230 nan 0.000 0.461 585 Q N 0.850 120.668 119.800 0.030 0.000 2.314 585 Q HA 0.221 4.561 4.340 0.000 0.000 0.257 585 Q C -0.214 175.796 176.000 0.016 0.000 0.975 585 Q CA -0.419 55.397 55.803 0.020 0.000 0.933 585 Q CB 2.192 30.943 28.738 0.021 0.000 1.195 585 Q HN -0.064 nan 8.270 nan 0.000 0.426 586 V N 3.273 123.191 119.914 0.007 0.000 2.832 586 V HA -0.066 4.054 4.120 0.000 0.000 0.299 586 V C 1.123 177.220 176.094 0.006 0.000 1.201 586 V CA 2.319 64.621 62.300 0.004 0.000 1.325 586 V CB 0.011 31.834 31.823 -0.001 0.000 0.871 586 V HN 1.083 nan 8.190 nan 0.000 0.509 587 G N 5.533 114.337 108.800 0.005 0.000 2.248 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.263 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.263 587 G C -0.313 174.591 174.900 0.007 0.000 1.082 587 G CA 0.030 45.133 45.100 0.005 0.000 0.863 587 G HN 0.650 nan 8.290 nan 0.000 0.495 588 I N 0.117 120.694 120.570 0.011 0.000 2.321 588 I HA 0.222 4.392 4.170 0.000 0.000 0.291 588 I C -0.382 175.741 176.117 0.010 0.000 0.998 588 I CA -2.260 59.050 61.300 0.016 0.000 1.227 588 I CB 1.122 39.139 38.000 0.029 0.000 1.368 588 I HN -0.116 nan 8.210 nan 0.000 0.466 589 P HA -0.245 nan 4.420 nan 0.000 0.212 589 P C 1.507 178.804 177.300 -0.005 0.000 1.128 589 P CA 1.952 65.052 63.100 -0.001 0.000 0.961 589 P CB 0.202 31.899 31.700 -0.004 0.000 0.782 590 V N -5.101 114.808 119.914 -0.007 0.000 3.523 590 V HA 0.133 4.253 4.120 0.000 0.000 0.255 590 V C 2.076 178.159 176.094 -0.017 0.000 1.226 590 V CA 0.558 62.849 62.300 -0.016 0.000 1.092 590 V CB -1.258 30.546 31.823 -0.031 0.000 0.817 590 V HN -0.029 nan 8.190 nan 0.000 0.458 591 L N 2.060 123.280 121.223 -0.005 0.000 2.201 591 L HA -0.084 4.256 4.340 0.000 0.000 0.212 591 L C 2.930 179.793 176.870 -0.012 0.000 1.105 591 L CA 1.876 56.711 54.840 -0.010 0.000 0.775 591 L CB -1.165 40.905 42.059 0.018 0.000 0.913 591 L HN 0.587 nan 8.230 nan 0.000 0.440 592 T N -3.102 111.450 114.554 -0.002 0.000 2.792 592 T HA -0.303 4.047 4.350 0.000 0.000 0.268 592 T C 1.268 175.962 174.700 -0.009 0.000 1.059 592 T CA 0.979 63.077 62.100 -0.003 0.000 1.136 592 T CB -0.366 68.502 68.868 0.000 0.000 0.846 592 T HN 0.164 nan 8.240 nan 0.000 0.489 593 Q N 2.200 121.991 119.800 -0.016 0.000 2.423 593 Q HA 0.252 4.592 4.340 0.000 0.000 0.235 593 Q C 1.426 177.408 176.000 -0.031 0.000 1.100 593 Q CA 0.189 55.979 55.803 -0.021 0.000 0.908 593 Q CB 1.045 29.771 28.738 -0.020 0.000 1.312 593 Q HN 0.666 nan 8.270 nan 0.000 0.497 594 S N 1.595 117.280 115.700 -0.025 0.000 2.420 594 S HA -0.191 4.279 4.470 0.000 0.000 0.237 594 S C 1.690 176.268 174.600 -0.036 0.000 1.023 594 S CA 1.225 59.407 58.200 -0.030 0.000 0.991 594 S CB -0.305 62.886 63.200 -0.014 0.000 0.792 594 S HN 0.696 nan 8.310 nan 0.000 0.488 595 G N 2.093 110.874 108.800 -0.031 0.000 2.491 595 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 595 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 595 G C 1.498 176.370 174.900 -0.047 0.000 1.180 595 G CA 1.288 46.369 45.100 -0.033 0.000 0.774 595 G HN 0.581 nan 8.290 nan 0.000 0.562 596 M N -0.539 119.027 119.600 -0.056 0.000 2.279 596 M HA 0.063 4.543 4.480 0.000 0.000 0.264 596 M C 2.399 178.641 176.300 -0.096 0.000 1.062 596 M CA 0.691 55.947 55.300 -0.073 0.000 1.099 596 M CB -0.187 32.369 32.600 -0.073 0.000 1.394 596 M HN 0.214 nan 8.290 nan 0.000 0.426 597 L N -0.352 120.810 121.223 -0.102 0.000 2.162 597 L HA -0.011 4.329 4.340 0.000 0.000 0.205 597 L C 2.459 179.265 176.870 -0.107 0.000 1.086 597 L CA 1.447 56.198 54.840 -0.149 0.000 0.778 597 L CB -0.335 41.625 42.059 -0.164 0.000 0.928 597 L HN 0.129 nan 8.230 nan 0.000 0.446 598 S N -0.057 115.604 115.700 -0.065 0.000 2.370 598 S HA -0.224 4.246 4.470 0.000 0.000 0.226 598 S C 2.144 176.720 174.600 -0.039 0.000 1.033 598 S CA 1.179 59.356 58.200 -0.040 0.000 1.011 598 S CB -0.721 62.464 63.200 -0.025 0.000 0.852 598 S HN 0.574 nan 8.310 nan 0.000 0.457 599 A N 1.371 124.163 122.820 -0.045 0.000 1.940 599 A HA -0.039 4.281 4.320 0.000 0.000 0.219 599 A C 2.146 179.706 177.584 -0.041 0.000 1.176 599 A CA 1.286 53.298 52.037 -0.041 0.000 0.631 599 A CB -0.717 18.254 19.000 -0.049 0.000 0.814 599 A HN 0.463 nan 8.150 nan 0.000 0.446 600 L N -0.820 120.367 121.223 -0.061 0.000 2.005 600 L HA -0.144 4.196 4.340 0.000 0.000 0.207 600 L C 2.737 179.586 176.870 -0.037 0.000 1.072 600 L CA 2.066 56.872 54.840 -0.057 0.000 0.744 600 L CB -0.623 41.373 42.059 -0.105 0.000 0.895 600 L HN 0.425 nan 8.230 nan 0.000 0.433 601 T N -0.253 114.270 114.554 -0.051 0.000 2.570 601 T HA -0.258 4.092 4.350 0.000 0.000 0.266 601 T C 2.001 176.697 174.700 -0.006 0.000 1.071 601 T CA 2.135 64.220 62.100 -0.025 0.000 1.172 601 T CB -0.572 68.279 68.868 -0.029 0.000 0.864 601 T HN 0.655 nan 8.240 nan 0.000 0.421 602 S N 1.589 117.284 115.700 -0.008 0.000 2.343 602 S HA -0.059 4.411 4.470 0.000 0.000 0.219 602 S C 2.454 177.057 174.600 0.004 0.000 1.033 602 S CA 1.380 59.579 58.200 -0.001 0.000 1.014 602 S CB -1.537 61.661 63.200 -0.003 0.000 0.915 602 S HN 0.577 nan 8.310 nan 0.000 0.435 603 G N 1.545 110.346 108.800 0.002 0.000 2.606 603 G HA2 -0.275 3.685 3.960 0.000 0.000 0.221 603 G HA3 -0.275 3.685 3.960 0.000 0.000 0.221 603 G C 1.510 176.423 174.900 0.022 0.000 1.152 603 G CA 1.245 46.352 45.100 0.011 0.000 0.765 603 G HN 0.508 nan 8.290 nan 0.000 0.595 604 V N 1.399 121.326 119.914 0.023 0.000 2.324 604 V HA -0.107 4.013 4.120 0.000 0.000 0.250 604 V C 2.995 179.106 176.094 0.028 0.000 1.060 604 V CA 2.824 65.143 62.300 0.032 0.000 1.042 604 V CB -0.889 30.956 31.823 0.038 0.000 0.650 604 V HN 0.455 nan 8.190 nan 0.000 0.450 605 G N -0.725 108.088 108.800 0.021 0.000 2.421 605 G HA2 -0.318 3.642 3.960 0.000 0.000 0.216 605 G HA3 -0.318 3.642 3.960 0.000 0.000 0.216 605 G C 1.723 176.634 174.900 0.017 0.000 1.171 605 G CA 1.782 46.892 45.100 0.018 0.000 0.775 605 G HN 0.609 nan 8.290 nan 0.000 0.543 606 T N 0.287 114.851 114.554 0.018 0.000 2.665 606 T HA -0.093 4.257 4.350 0.000 0.000 0.268 606 T C 2.569 177.283 174.700 0.025 0.000 1.035 606 T CA 2.179 64.290 62.100 0.020 0.000 1.151 606 T CB -0.681 68.199 68.868 0.021 0.000 0.862 606 T HN 0.449 nan 8.240 nan 0.000 0.438 607 A N 1.491 124.329 122.820 0.030 0.000 1.940 607 A HA 0.086 4.405 4.320 0.000 0.000 0.219 607 A C 2.454 180.056 177.584 0.031 0.000 1.176 607 A CA 1.558 53.617 52.037 0.036 0.000 0.631 607 A CB -0.883 18.145 19.000 0.045 0.000 0.814 607 A HN 0.573 nan 8.150 nan 0.000 0.446 608 L N -1.627 119.612 121.223 0.027 0.000 2.007 608 L HA -0.118 4.222 4.340 0.000 0.000 0.205 608 L C 2.661 179.541 176.870 0.017 0.000 1.073 608 L CA 1.483 56.336 54.840 0.022 0.000 0.744 608 L CB -0.581 41.490 42.059 0.020 0.000 0.898 608 L HN 0.419 nan 8.230 nan 0.000 0.435 609 R N 0.075 120.585 120.500 0.015 0.000 2.206 609 R HA -0.256 4.084 4.340 0.000 0.000 0.240 609 R C 1.532 177.839 176.300 0.013 0.000 1.117 609 R CA 2.691 58.798 56.100 0.012 0.000 0.915 609 R CB -0.534 29.773 30.300 0.012 0.000 0.888 609 R HN 0.504 nan 8.270 nan 0.000 0.432 610 T N -2.593 111.970 114.554 0.016 0.000 3.215 610 T HA 0.334 4.684 4.350 0.000 0.000 0.271 610 T C 0.355 175.066 174.700 0.018 0.000 1.012 610 T CA -0.102 62.008 62.100 0.016 0.000 0.899 610 T CB 0.962 69.840 68.868 0.016 0.000 1.089 610 T HN 0.352 nan 8.240 nan 0.000 0.552 611 G N 1.680 110.492 108.800 0.020 0.000 2.378 611 G HA2 0.408 4.368 3.960 0.000 0.000 0.255 611 G HA3 0.408 4.368 3.960 0.000 0.000 0.255 611 G C 0.227 175.137 174.900 0.018 0.000 1.270 611 G CA -0.594 44.519 45.100 0.022 0.000 0.876 611 G HN 0.508 nan 8.290 nan 0.000 0.521 612 S N 3.443 119.153 115.700 0.017 0.000 3.036 612 S HA 0.242 4.712 4.470 0.000 0.000 0.301 612 S C 0.606 175.215 174.600 0.015 0.000 1.205 612 S CA -0.767 57.442 58.200 0.015 0.000 0.999 612 S CB -0.298 62.910 63.200 0.013 0.000 1.337 612 S HN 0.713 nan 8.310 nan 0.000 0.515 613 L N 1.805 123.037 121.223 0.015 0.000 4.053 613 L HA -0.161 4.179 4.340 0.000 0.000 0.479 613 L C 1.120 177.999 176.870 0.015 0.000 0.886 613 L CA 0.341 55.190 54.840 0.015 0.000 0.766 613 L CB -1.935 40.133 42.059 0.014 0.000 1.153 613 L HN 0.793 nan 8.230 nan 0.000 0.861 614 G N 2.875 111.685 108.800 0.017 0.000 2.305 614 G HA2 0.214 4.174 3.960 0.000 0.000 0.281 614 G HA3 0.214 4.174 3.960 0.000 0.000 0.281 614 G C 0.294 175.203 174.900 0.015 0.000 1.085 614 G CA -0.252 44.859 45.100 0.017 0.000 1.211 614 G HN 0.530 nan 8.290 nan 0.000 0.421 615 K N 2.746 123.154 120.400 0.013 0.000 2.530 615 K HA 0.432 4.752 4.320 0.000 0.000 0.230 615 K C 0.724 177.329 176.600 0.009 0.000 1.002 615 K CA -0.515 55.779 56.287 0.012 0.000 1.014 615 K CB 0.719 33.226 32.500 0.012 0.000 1.286 615 K HN 0.412 nan 8.250 nan 0.000 0.480 616 G N 2.594 111.400 108.800 0.010 0.000 2.138 616 G HA2 -0.097 3.863 3.960 0.000 0.000 0.263 616 G HA3 -0.097 3.863 3.960 0.000 0.000 0.263 616 G C 1.205 176.108 174.900 0.005 0.000 1.103 616 G CA 0.111 45.215 45.100 0.007 0.000 1.014 616 G HN 0.533 nan 8.290 nan 0.000 0.418 617 V N 3.368 123.283 119.914 0.002 0.000 2.277 617 V HA -0.312 3.808 4.120 0.000 0.000 0.253 617 V C 3.196 179.290 176.094 0.001 0.000 1.067 617 V CA 3.616 65.917 62.300 0.001 0.000 1.047 617 V CB -0.814 31.008 31.823 -0.002 0.000 0.649 617 V HN 1.040 nan 8.190 nan 0.000 0.447 618 T N -1.704 112.851 114.554 0.001 0.000 2.570 618 T HA -0.334 4.016 4.350 0.000 0.000 0.266 618 T C 1.690 176.391 174.700 0.001 0.000 1.071 618 T CA 2.099 64.199 62.100 0.001 0.000 1.172 618 T CB -0.939 67.930 68.868 0.001 0.000 0.864 618 T HN 0.587 nan 8.240 nan 0.000 0.421 619 D N 1.867 122.268 120.400 0.003 0.000 2.178 619 D HA 0.017 4.657 4.640 0.000 0.000 0.201 619 D C 2.286 178.587 176.300 0.003 0.000 0.980 619 D CA 1.271 55.273 54.000 0.003 0.000 0.842 619 D CB -0.622 40.181 40.800 0.005 0.000 0.948 619 D HN 0.546 nan 8.370 nan 0.000 0.472 620 A N 0.269 123.091 122.820 0.004 0.000 1.841 620 A HA -0.212 4.108 4.320 0.000 0.000 0.216 620 A C 2.408 179.993 177.584 0.002 0.000 1.199 620 A CA 3.061 55.100 52.037 0.004 0.000 0.621 620 A CB -1.343 17.659 19.000 0.004 0.000 0.835 620 A HN 0.394 nan 8.150 nan 0.000 0.445 621 S N 0.139 115.840 115.700 0.001 0.000 2.380 621 S HA -0.284 4.186 4.470 0.000 0.000 0.229 621 S C 1.645 176.245 174.600 -0.000 0.000 1.043 621 S CA 1.931 60.131 58.200 0.000 0.000 1.038 621 S CB -0.585 62.615 63.200 -0.000 0.000 0.872 621 S HN 0.568 nan 8.310 nan 0.000 0.456 622 E N 1.374 121.574 120.200 -0.000 0.000 2.106 622 E HA 0.011 4.361 4.350 0.000 0.000 0.192 622 E C 2.111 178.710 176.600 -0.001 0.000 0.984 622 E CA 1.069 57.468 56.400 -0.001 0.000 0.806 622 E CB -0.217 29.483 29.700 -0.001 0.000 0.750 622 E HN 0.660 nan 8.360 nan 0.000 0.458 623 K N 0.326 120.725 120.400 -0.000 0.000 2.057 623 K HA -0.132 4.188 4.320 0.000 0.000 0.206 623 K C 2.135 178.735 176.600 -0.000 0.000 1.050 623 K CA 0.855 57.142 56.287 0.000 0.000 0.935 623 K CB -0.181 32.320 32.500 0.002 0.000 0.715 623 K HN 0.110 nan 8.250 nan 0.000 0.439 624 L N 1.914 123.137 121.223 0.001 0.000 2.021 624 L HA -0.256 4.084 4.340 0.000 0.000 0.215 624 L C 2.524 179.394 176.870 -0.000 0.000 1.074 624 L CA 1.850 56.691 54.840 0.001 0.000 0.760 624 L CB -0.568 41.492 42.059 0.001 0.000 0.889 624 L HN 0.155 nan 8.230 nan 0.000 0.433 625 R N -0.226 120.273 120.500 -0.001 0.000 2.070 625 R HA -0.142 4.198 4.340 0.000 0.000 0.233 625 R C 2.169 178.467 176.300 -0.004 0.000 1.137 625 R CA 1.629 57.727 56.100 -0.002 0.000 0.945 625 R CB -0.756 29.542 30.300 -0.003 0.000 0.845 625 R HN 0.553 nan 8.270 nan 0.000 0.430 626 A N 1.478 124.295 122.820 -0.005 0.000 1.948 626 A HA -0.191 4.129 4.320 0.000 0.000 0.220 626 A C 2.283 179.862 177.584 -0.009 0.000 1.177 626 A CA 1.614 53.646 52.037 -0.008 0.000 0.636 626 A CB -0.491 18.504 19.000 -0.008 0.000 0.815 626 A HN 0.410 nan 8.150 nan 0.000 0.449 627 R N -0.898 119.598 120.500 -0.005 0.000 2.096 627 R HA -0.150 4.190 4.340 0.000 0.000 0.235 627 R C 2.479 178.778 176.300 -0.002 0.000 1.127 627 R CA 1.639 57.736 56.100 -0.004 0.000 0.968 627 R CB -0.307 29.992 30.300 -0.001 0.000 0.861 627 R HN 0.697 nan 8.270 nan 0.000 0.440 628 Q N 0.124 119.923 119.800 -0.002 0.000 2.016 628 Q HA -0.131 4.209 4.340 0.000 0.000 0.200 628 Q C 2.322 178.321 176.000 -0.002 0.000 0.978 628 Q CA 2.010 57.814 55.803 0.001 0.000 0.833 628 Q CB 0.003 28.742 28.738 0.001 0.000 0.895 628 Q HN 0.381 nan 8.270 nan 0.000 0.427 629 S N 0.762 116.458 115.700 -0.007 0.000 2.400 629 S HA -0.204 4.266 4.470 0.000 0.000 0.232 629 S C 1.904 176.491 174.600 -0.022 0.000 1.025 629 S CA 1.076 59.268 58.200 -0.013 0.000 0.993 629 S CB -0.510 62.682 63.200 -0.013 0.000 0.808 629 S HN 0.296 nan 8.310 nan 0.000 0.478 630 L N 2.004 123.214 121.223 -0.022 0.000 1.989 630 L HA -0.115 4.225 4.340 0.000 0.000 0.211 630 L C 2.675 179.526 176.870 -0.033 0.000 1.071 630 L CA 2.265 57.086 54.840 -0.032 0.000 0.749 630 L CB -1.201 40.842 42.059 -0.026 0.000 0.890 630 L HN 0.326 nan 8.230 nan 0.000 0.431 631 T N -1.002 113.547 114.554 -0.008 0.000 2.635 631 T HA -0.244 4.106 4.350 0.000 0.000 0.267 631 T C 1.897 176.594 174.700 -0.005 0.000 1.040 631 T CA 1.920 64.028 62.100 0.014 0.000 1.156 631 T CB -0.670 68.216 68.868 0.031 0.000 0.863 631 T HN 0.213 nan 8.240 nan 0.000 0.430 632 V N 2.127 122.035 119.914 -0.009 0.000 2.231 632 V HA -0.286 3.834 4.120 0.000 0.000 0.250 632 V C 2.943 179.008 176.094 -0.048 0.000 1.058 632 V CA 2.044 64.334 62.300 -0.016 0.000 1.022 632 V CB -1.437 30.382 31.823 -0.007 0.000 0.640 632 V HN 0.604 nan 8.190 nan 0.000 0.445 633 A N -0.938 121.846 122.820 -0.061 0.000 1.933 633 A HA -0.226 4.094 4.320 0.000 0.000 0.218 633 A C 2.318 179.813 177.584 -0.148 0.000 1.175 633 A CA 1.907 53.894 52.037 -0.082 0.000 0.628 633 A CB -0.467 18.485 19.000 -0.081 0.000 0.814 633 A HN 0.534 nan 8.150 nan 0.000 0.444 634 K N -0.758 119.517 120.400 -0.208 0.000 2.032 634 K HA -0.179 4.141 4.320 0.000 0.000 0.209 634 K C 2.310 178.213 176.600 -1.161 0.000 1.048 634 K CA 1.431 57.441 56.287 -0.462 0.000 0.927 634 K CB -0.238 32.118 32.500 -0.240 0.000 0.712 634 K HN 0.458 nan 8.250 nan 0.000 0.441 635 Q N 0.131 119.619 119.800 -0.519 0.000 2.029 635 Q HA -0.204 4.136 4.340 0.000 0.000 0.209 635 Q C 2.171 178.079 176.000 -0.154 0.000 0.999 635 Q CA 2.007 57.696 55.803 -0.191 0.000 0.857 635 Q CB -0.570 28.204 28.738 0.061 0.000 0.926 635 Q HN 0.355 nan 8.270 nan 0.000 0.415 636 A N 0.424 123.180 122.820 -0.106 0.000 1.940 636 A HA -0.204 4.116 4.320 0.000 0.000 0.219 636 A C 1.926 179.504 177.584 -0.010 0.000 1.176 636 A CA 1.567 53.582 52.037 -0.036 0.000 0.631 636 A CB -0.868 18.123 19.000 -0.015 0.000 0.814 636 A HN 0.419 nan 8.150 nan 0.000 0.446 637 F N 0.303 120.095 119.950 -0.264 0.000 2.075 637 F HA -0.162 4.365 4.527 0.000 0.000 0.297 637 F C 1.829 177.590 175.800 -0.065 0.000 1.113 637 F CA 1.475 59.354 58.000 -0.202 0.000 1.218 637 F CB -0.647 38.168 39.000 -0.308 0.000 0.984 637 F HN 0.205 nan 8.300 nan 0.000 0.472 638 F N 1.467 121.257 119.950 -0.267 0.000 2.126 638 F HA -0.194 4.333 4.527 0.000 0.000 0.299 638 F C 2.390 178.072 175.800 -0.197 0.000 1.096 638 F CA 1.372 59.146 58.000 -0.377 0.000 1.255 638 F CB -1.709 37.188 39.000 -0.172 0.000 0.997 638 F HN 0.045 nan 8.300 nan 0.000 0.479 639 D N -0.057 120.392 120.400 0.081 0.000 2.116 639 D HA -0.212 4.428 4.640 0.000 0.000 0.193 639 D C 2.339 178.669 176.300 0.050 0.000 0.998 639 D CA 1.432 55.469 54.000 0.061 0.000 0.836 639 D CB -0.659 40.173 40.800 0.054 0.000 0.951 639 D HN 0.297 nan 8.370 nan 0.000 0.449 640 Q N 0.713 120.538 119.800 0.041 0.000 2.061 640 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 640 Q C 2.367 178.431 176.000 0.108 0.000 0.984 640 Q CA 1.086 56.931 55.803 0.070 0.000 0.846 640 Q CB -0.441 28.346 28.738 0.081 0.000 0.902 640 Q HN 0.359 nan 8.270 nan 0.000 0.421 641 I N 0.829 121.424 120.570 0.042 0.000 2.226 641 I HA -0.215 3.955 4.170 0.000 0.000 0.245 641 I C 2.493 178.768 176.117 0.263 0.000 1.100 641 I CA 1.230 62.620 61.300 0.151 0.000 1.374 641 I CB -0.739 37.161 38.000 -0.166 0.000 1.057 641 I HN 0.334 nan 8.210 nan 0.000 0.413 642 G N 0.467 109.325 108.800 0.097 0.000 2.469 642 G HA2 -0.348 3.612 3.960 0.000 0.000 0.219 642 G HA3 -0.348 3.612 3.960 0.000 0.000 0.219 642 G C 1.807 176.750 174.900 0.070 0.000 1.150 642 G CA 1.323 46.456 45.100 0.055 0.000 0.763 642 G HN 0.519 nan 8.290 nan 0.000 0.561 643 S N 0.252 116.007 115.700 0.090 0.000 2.368 643 S HA 0.017 4.487 4.470 0.000 0.000 0.225 643 S C 2.356 177.009 174.600 0.089 0.000 1.030 643 S CA 1.312 59.562 58.200 0.082 0.000 0.999 643 S CB -0.354 62.888 63.200 0.071 0.000 0.844 643 S HN 0.269 nan 8.310 nan 0.000 0.459 644 L N -1.181 120.126 121.223 0.140 0.000 2.209 644 L HA 0.318 4.658 4.340 0.000 0.000 0.207 644 L C 1.030 177.804 176.870 -0.161 0.000 1.094 644 L CA 0.412 55.300 54.840 0.080 0.000 0.790 644 L CB 0.118 42.350 42.059 0.287 0.000 0.932 644 L HN 0.595 nan 8.230 nan 0.000 0.447 645 W N 2.393 123.355 121.300 -0.563 0.000 2.409 645 W HA 0.263 4.923 4.660 0.000 0.000 0.285 645 W C -2.529 173.840 176.519 -0.250 0.000 1.030 645 W CA -2.117 54.831 57.345 -0.661 0.000 1.330 645 W CB 1.497 30.184 29.460 -1.287 0.000 1.236 645 W HN -0.227 nan 8.180 nan 0.000 0.341 646 P HA 0.034 nan 4.420 nan 0.000 0.252 646 P C 0.811 177.668 177.300 -0.738 0.000 1.694 646 P CA 0.536 63.537 63.100 -0.164 0.000 1.163 646 P CB -0.261 31.434 31.700 -0.008 0.000 1.934 647 G N 5.065 113.103 108.800 -1.269 0.000 2.272 647 G HA2 0.079 4.039 3.960 0.000 0.000 0.274 647 G HA3 0.079 4.039 3.960 0.000 0.000 0.274 647 G C 0.526 174.966 174.900 -0.766 0.000 1.136 647 G CA -0.218 43.905 45.100 -1.628 0.000 1.098 647 G HN 0.589 nan 8.290 nan 0.000 0.425 648 K N 0.000 120.030 120.400 -0.616 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.137 56.287 -0.250 0.000 0.838 648 K CB 0.000 32.416 32.500 -0.140 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543