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 1foh_1_B DATA FIRST_RESID 1 DATA SEQUENCE TKYSESYCDV LIVGAGPAGL MAARVLSEYV RQKPDLKVRI IDKRSTKVYN DATA SEQUENCE GQADGLQCRT LESLKNLGLA DKILSEANDM STIALYNPDE NGHIRRTDRI DATA SEQUENCE PDTLPGISRY HQVVLHQGRI ERHILDSIAE ISDTRIKVER PLIPEKMEID DATA SEQUENCE SSKAEDPEAY PVTMTLRYMS DHESTPLQFG HKTENSLFHS NLQTQEEEDA DATA SEQUENCE NYRLPEGKEA GEIETVHCKY VIGCDGGHSW VRRTLGFEMI GEQTDYIWGV DATA SEQUENCE LDAVPASNFP DIRSRCAIHS AESGSIMIIP RENNLVRFYV QLQXXXXXXX DATA SEQUENCE XXXXXXFTPE VVIANAKKIF HPYTFDVQQL DWFTAYHIGQ RVTEKFSKDE DATA SEQUENCE RVFIAGDACH THSPKAGQGM NTSMMDTYNL GWKLGLVLTG RAKRDILKTY DATA SEQUENCE EEERHAFAQA LIDFDHQFSR LFSGRPAKDV ADEMGVSMDV FKEAFVKGNE DATA SEQUENCE FASGTAINYD ENLVTDKKSS KQELAKNCVV GTRFKSQPVV RHSEGLWMHF DATA SEQUENCE GDRLVTDGRF RIIVFAGKAT DATQMSRIKK FSAYLDSENS VISLYTPKVS DATA SEQUENCE DRNSRIDVIT IHSCHRDDIE MHDFPAPALH PKWQYDFIYA DCDSWHHPHP DATA SEQUENCE KSYQAWGVDE TKGAVVVVRP DGYTSLVTDL EGTAEIDRYF SGILVEPKEK DATA SEQUENCE SGAQTEADWT KSTA 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.502 174.700 -0.330 0.000 1.109 1 T CA 0.000 61.962 62.100 -0.230 0.000 1.349 1 T CB 0.000 68.667 68.868 -0.336 0.000 0.612 2 K N 2.213 122.423 120.400 -0.317 0.000 2.249 2 K HA 0.545 4.864 4.320 -0.000 0.000 0.280 2 K C -1.254 175.099 176.600 -0.411 0.000 1.033 2 K CA -0.452 55.687 56.287 -0.247 0.000 0.946 2 K CB 0.581 32.984 32.500 -0.161 0.000 1.005 2 K HN 0.565 nan 8.250 nan 0.000 0.469 3 Y N 0.927 121.209 120.300 -0.029 0.000 2.429 3 Y HA 0.280 4.830 4.550 -0.000 0.000 0.342 3 Y C 0.161 176.041 175.900 -0.033 0.000 1.004 3 Y CA -0.381 57.705 58.100 -0.025 0.000 1.075 3 Y CB 2.206 40.656 38.460 -0.017 0.000 1.214 3 Y HN 0.686 nan 8.280 nan 0.000 0.455 4 S N 1.184 116.957 115.700 0.121 0.000 2.618 4 S HA 0.754 5.224 4.470 -0.000 0.000 0.277 4 S C -1.342 173.276 174.600 0.030 0.000 1.138 4 S CA -1.033 57.197 58.200 0.050 0.000 0.844 4 S CB 2.735 65.932 63.200 -0.005 0.000 1.127 4 S HN 0.689 nan 8.310 nan 0.000 0.474 5 E N 0.063 120.264 120.200 0.002 0.000 2.331 5 E HA 0.673 5.023 4.350 -0.000 0.000 0.275 5 E C -1.285 175.281 176.600 -0.056 0.000 0.895 5 E CA -0.579 55.784 56.400 -0.061 0.000 0.753 5 E CB 1.924 31.603 29.700 -0.035 0.000 1.216 5 E HN 0.992 nan 8.360 nan 0.000 0.434 6 S N 1.912 117.513 115.700 -0.165 0.000 2.636 6 S HA 0.516 4.986 4.470 -0.000 0.000 0.268 6 S C -1.634 172.798 174.600 -0.280 0.000 1.159 6 S CA -0.844 57.312 58.200 -0.075 0.000 0.815 6 S CB 0.616 63.826 63.200 0.016 0.000 1.130 6 S HN 0.412 nan 8.310 nan 0.000 0.471 7 Y N 0.007 120.281 120.300 -0.043 0.000 2.446 7 Y HA 0.762 5.312 4.550 -0.000 0.000 0.345 7 Y C 0.418 176.348 175.900 0.051 0.000 0.984 7 Y CA -0.594 57.452 58.100 -0.090 0.000 1.058 7 Y CB 2.021 40.283 38.460 -0.331 0.000 1.220 7 Y HN 1.213 nan 8.280 nan 0.000 0.455 8 C N 0.462 119.948 119.300 0.310 0.000 3.170 8 C HA 0.466 4.926 4.460 -0.000 0.000 0.319 8 C C 0.458 175.666 174.990 0.363 0.000 1.260 8 C CA -0.757 58.437 59.018 0.292 0.000 1.374 8 C CB 1.607 29.451 27.740 0.172 0.000 1.739 8 C HN 0.898 nan 8.230 nan 0.000 0.479 9 D N 0.948 121.515 120.400 0.277 0.000 2.091 9 D HA 0.045 4.685 4.640 -0.000 0.000 0.199 9 D C 0.572 177.020 176.300 0.247 0.000 0.980 9 D CA 1.767 55.909 54.000 0.236 0.000 0.831 9 D CB 0.205 41.115 40.800 0.183 0.000 0.987 9 D HN 0.543 nan 8.370 nan 0.000 0.460 10 V N 1.075 121.105 119.914 0.194 0.000 2.709 10 V HA 0.347 4.467 4.120 -0.000 0.000 0.308 10 V C -0.829 175.342 176.094 0.128 0.000 1.062 10 V CA -0.971 61.437 62.300 0.180 0.000 0.901 10 V CB 2.699 34.594 31.823 0.120 0.000 1.003 10 V HN -0.039 nan 8.190 nan 0.000 0.425 11 L N 5.767 127.063 121.223 0.122 0.000 2.343 11 L HA 0.680 5.020 4.340 -0.000 0.000 0.278 11 L C -0.794 176.120 176.870 0.073 0.000 0.996 11 L CA 0.078 54.966 54.840 0.080 0.000 0.831 11 L CB 1.249 43.347 42.059 0.065 0.000 1.232 11 L HN 0.583 nan 8.230 nan 0.000 0.413 12 I N 5.867 126.465 120.570 0.047 0.000 2.304 12 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 12 I C -0.470 175.660 176.117 0.023 0.000 1.018 12 I CA -0.685 60.638 61.300 0.038 0.000 1.260 12 I CB 1.578 39.592 38.000 0.024 0.000 1.390 12 I HN 0.272 nan 8.210 nan 0.000 0.475 13 V N 6.316 126.250 119.914 0.033 0.000 2.320 13 V HA 0.714 4.834 4.120 -0.000 0.000 0.265 13 V C 0.527 176.630 176.094 0.015 0.000 1.048 13 V CA -0.306 62.003 62.300 0.015 0.000 0.865 13 V CB 0.216 32.066 31.823 0.044 0.000 1.043 13 V HN 1.050 nan 8.190 nan 0.000 0.474 14 G N 4.060 112.858 108.800 -0.003 0.000 3.187 14 G HA2 0.348 4.308 3.960 -0.000 0.000 0.682 14 G HA3 0.348 4.308 3.960 -0.000 0.000 0.682 14 G C -0.314 174.587 174.900 0.000 0.000 1.266 14 G CA -0.298 44.804 45.100 0.004 0.000 0.902 14 G HN 1.314 nan 8.290 nan 0.000 0.589 15 A N 1.498 124.315 122.820 -0.006 0.000 2.793 15 A HA 0.800 5.120 4.320 -0.000 0.000 0.301 15 A C 1.289 178.867 177.584 -0.010 0.000 1.172 15 A CA 1.059 53.090 52.037 -0.009 0.000 0.973 15 A CB -0.138 18.850 19.000 -0.019 0.000 1.164 15 A HN 2.062 nan 8.150 nan 0.000 0.542 16 G N 0.068 108.867 108.800 -0.001 0.000 2.494 16 G HA2 0.424 4.384 3.960 -0.000 0.000 0.270 16 G HA3 0.424 4.384 3.960 -0.000 0.000 0.270 16 G C -1.305 173.597 174.900 0.003 0.000 1.423 16 G CA -0.963 44.136 45.100 -0.002 0.000 1.055 16 G HN 0.107 nan 8.290 nan 0.000 0.536 17 P HA -0.126 nan 4.420 nan 0.000 0.215 17 P C 2.172 179.492 177.300 0.033 0.000 1.157 17 P CA 2.458 65.568 63.100 0.018 0.000 0.874 17 P CB 0.006 31.720 31.700 0.022 0.000 0.790 18 A N -0.287 122.559 122.820 0.043 0.000 1.865 18 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 18 A C 2.524 180.130 177.584 0.036 0.000 1.191 18 A CA 2.302 54.371 52.037 0.052 0.000 0.623 18 A CB -1.911 17.118 19.000 0.049 0.000 0.826 18 A HN 0.289 nan 8.150 nan 0.000 0.444 19 G N -0.492 108.322 108.800 0.024 0.000 2.402 19 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.216 19 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.216 19 G C 1.565 176.475 174.900 0.017 0.000 1.162 19 G CA 0.933 46.043 45.100 0.017 0.000 0.777 19 G HN 0.418 nan 8.290 nan 0.000 0.539 20 L N -0.388 120.845 121.223 0.016 0.000 2.083 20 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 20 L C 2.808 179.697 176.870 0.032 0.000 1.083 20 L CA 1.427 56.277 54.840 0.017 0.000 0.752 20 L CB -0.317 41.746 42.059 0.007 0.000 0.899 20 L HN 0.304 nan 8.230 nan 0.000 0.433 21 M N 0.164 119.790 119.600 0.043 0.000 2.175 21 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 21 M C 2.260 178.602 176.300 0.070 0.000 1.063 21 M CA 1.990 57.332 55.300 0.070 0.000 1.119 21 M CB -0.444 32.210 32.600 0.090 0.000 1.377 21 M HN 0.144 nan 8.290 nan 0.000 0.415 22 A N 0.046 122.891 122.820 0.041 0.000 1.883 22 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 22 A C 2.419 180.019 177.584 0.026 0.000 1.186 22 A CA 2.310 54.355 52.037 0.014 0.000 0.624 22 A CB -1.541 17.450 19.000 -0.016 0.000 0.822 22 A HN 0.677 nan 8.150 nan 0.000 0.444 23 A N -0.291 122.547 122.820 0.030 0.000 1.902 23 A HA -0.138 4.181 4.320 -0.000 0.000 0.217 23 A C 2.174 179.786 177.584 0.047 0.000 1.181 23 A CA 2.200 54.258 52.037 0.035 0.000 0.623 23 A CB -0.462 18.553 19.000 0.025 0.000 0.818 23 A HN 0.491 nan 8.150 nan 0.000 0.443 24 R N 0.171 120.701 120.500 0.049 0.000 2.080 24 R HA -0.103 4.237 4.340 -0.000 0.000 0.236 24 R C 1.792 178.134 176.300 0.070 0.000 1.137 24 R CA 2.383 58.516 56.100 0.054 0.000 0.943 24 R CB -1.326 29.009 30.300 0.059 0.000 0.846 24 R HN 0.245 nan 8.270 nan 0.000 0.431 25 V N 0.908 120.879 119.914 0.096 0.000 2.343 25 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 25 V C 2.381 178.592 176.094 0.195 0.000 1.051 25 V CA 1.927 64.304 62.300 0.129 0.000 1.036 25 V CB -0.480 31.419 31.823 0.127 0.000 0.654 25 V HN 0.291 nan 8.190 nan 0.000 0.451 26 L N -0.238 121.080 121.223 0.158 0.000 2.201 26 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 26 L C 2.605 179.587 176.870 0.186 0.000 1.105 26 L CA 1.176 56.143 54.840 0.212 0.000 0.775 26 L CB -0.654 41.458 42.059 0.087 0.000 0.913 26 L HN 0.287 nan 8.230 nan 0.000 0.440 27 S N -0.045 115.712 115.700 0.096 0.000 2.380 27 S HA -0.292 4.178 4.470 -0.000 0.000 0.229 27 S C 1.892 176.499 174.600 0.011 0.000 1.043 27 S CA 1.900 60.131 58.200 0.051 0.000 1.038 27 S CB -0.239 62.978 63.200 0.028 0.000 0.872 27 S HN 0.447 nan 8.310 nan 0.000 0.456 28 E N 0.316 120.478 120.200 -0.063 0.000 2.118 28 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 28 E C 1.583 178.024 176.600 -0.265 0.000 0.992 28 E CA 1.423 57.692 56.400 -0.219 0.000 0.804 28 E CB -0.283 29.183 29.700 -0.390 0.000 0.741 28 E HN 0.715 nan 8.360 nan 0.000 0.458 29 Y N -0.930 119.377 120.300 0.012 0.000 2.314 29 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 29 Y C 2.251 178.162 175.900 0.019 0.000 1.129 29 Y CA 0.763 58.872 58.100 0.015 0.000 1.201 29 Y CB -0.308 38.158 38.460 0.010 0.000 0.999 29 Y HN -0.053 nan 8.280 nan 0.000 0.541 30 V N 0.447 120.448 119.914 0.144 0.000 2.343 30 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 30 V C 2.473 178.599 176.094 0.053 0.000 1.051 30 V CA 2.126 64.481 62.300 0.092 0.000 1.036 30 V CB -0.599 31.271 31.823 0.077 0.000 0.654 30 V HN 0.320 nan 8.190 nan 0.000 0.451 31 R N -0.050 120.464 120.500 0.022 0.000 2.096 31 R HA -0.215 4.125 4.340 -0.000 0.000 0.235 31 R C 2.302 178.607 176.300 0.008 0.000 1.127 31 R CA 1.813 57.916 56.100 0.006 0.000 0.968 31 R CB -0.171 30.118 30.300 -0.018 0.000 0.861 31 R HN 0.589 nan 8.270 nan 0.000 0.440 32 Q N -0.391 119.413 119.800 0.008 0.000 2.172 32 Q HA 0.005 4.345 4.340 -0.000 0.000 0.200 32 Q C 0.123 176.150 176.000 0.045 0.000 0.964 32 Q CA 0.962 56.778 55.803 0.021 0.000 0.855 32 Q CB 0.437 29.188 28.738 0.023 0.000 0.918 32 Q HN -0.052 nan 8.270 nan 0.000 0.444 33 K N 0.498 120.936 120.400 0.064 0.000 2.624 33 K HA 0.198 4.518 4.320 -0.000 0.000 0.200 33 K C -2.317 174.320 176.600 0.062 0.000 1.036 33 K CA -1.645 54.681 56.287 0.065 0.000 1.029 33 K CB 1.530 34.080 32.500 0.082 0.000 1.317 33 K HN -0.076 nan 8.250 nan 0.000 0.555 34 P HA -0.087 nan 4.420 nan 0.000 0.231 34 P C 0.255 177.585 177.300 0.051 0.000 1.158 34 P CA 0.800 63.927 63.100 0.046 0.000 0.763 34 P CB 0.452 32.173 31.700 0.034 0.000 0.805 35 D N -0.468 119.965 120.400 0.054 0.000 2.269 35 D HA -0.005 4.635 4.640 -0.000 0.000 0.208 35 D C 1.018 177.363 176.300 0.075 0.000 0.963 35 D CA 0.348 54.383 54.000 0.059 0.000 0.864 35 D CB -0.353 40.480 40.800 0.055 0.000 0.936 35 D HN 0.234 nan 8.370 nan 0.000 0.505 36 L N 0.947 122.218 121.223 0.080 0.000 2.490 36 L HA 0.026 4.365 4.340 -0.000 0.000 0.274 36 L C 0.753 177.681 176.870 0.097 0.000 1.201 36 L CA 0.302 55.199 54.840 0.094 0.000 0.869 36 L CB 0.411 42.527 42.059 0.094 0.000 1.123 36 L HN -0.198 nan 8.230 nan 0.000 0.484 37 K N 2.864 123.333 120.400 0.116 0.000 2.425 37 K HA 0.509 4.829 4.320 -0.000 0.000 0.259 37 K C -1.492 175.175 176.600 0.112 0.000 0.978 37 K CA -0.516 55.838 56.287 0.112 0.000 0.883 37 K CB 1.396 33.973 32.500 0.129 0.000 1.110 37 K HN 0.318 nan 8.250 nan 0.000 0.436 38 V N 5.269 125.237 119.914 0.089 0.000 2.409 38 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 38 V C -0.348 175.784 176.094 0.063 0.000 1.020 38 V CA -0.791 61.557 62.300 0.080 0.000 0.848 38 V CB 1.565 33.430 31.823 0.070 0.000 0.990 38 V HN 0.771 nan 8.190 nan 0.000 0.430 39 R N 3.738 124.274 120.500 0.059 0.000 2.778 39 R HA 0.775 5.115 4.340 -0.000 0.000 0.277 39 R C -1.126 175.189 176.300 0.025 0.000 0.977 39 R CA -0.788 55.335 56.100 0.038 0.000 0.950 39 R CB 2.816 33.138 30.300 0.035 0.000 1.165 39 R HN 0.712 nan 8.270 nan 0.000 0.474 40 I N 3.714 124.288 120.570 0.007 0.000 2.571 40 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 40 I C -1.089 175.012 176.117 -0.027 0.000 1.115 40 I CA -0.812 60.486 61.300 -0.004 0.000 1.045 40 I CB 1.341 39.343 38.000 0.003 0.000 1.238 40 I HN 0.692 nan 8.210 nan 0.000 0.424 41 I N 3.147 123.691 120.570 -0.044 0.000 2.957 41 I HA 0.759 4.929 4.170 -0.000 0.000 0.310 41 I C -1.608 174.470 176.117 -0.066 0.000 1.063 41 I CA -0.476 60.778 61.300 -0.077 0.000 1.033 41 I CB 2.196 40.122 38.000 -0.124 0.000 1.230 41 I HN 0.597 nan 8.210 nan 0.000 0.447 42 D N 0.654 121.008 120.400 -0.077 0.000 2.753 42 D HA 0.274 4.913 4.640 -0.000 0.000 0.224 42 D C -0.126 176.137 176.300 -0.063 0.000 1.213 42 D CA -0.730 53.238 54.000 -0.054 0.000 0.833 42 D CB 2.137 42.918 40.800 -0.032 0.000 1.607 42 D HN 0.737 nan 8.370 nan 0.000 0.463 43 K N 1.584 121.955 120.400 -0.048 0.000 2.426 43 K HA 0.189 4.509 4.320 -0.000 0.000 0.193 43 K C 0.638 177.238 176.600 0.001 0.000 1.028 43 K CA -0.096 56.165 56.287 -0.043 0.000 1.047 43 K CB 0.632 33.101 32.500 -0.053 0.000 0.821 43 K HN 0.081 nan 8.250 nan 0.000 0.513 44 R N 1.091 121.601 120.500 0.016 0.000 2.349 44 R HA 0.156 4.496 4.340 -0.000 0.000 0.299 44 R C 0.314 176.647 176.300 0.055 0.000 1.027 44 R CA -0.046 56.083 56.100 0.047 0.000 0.958 44 R CB 1.198 31.530 30.300 0.055 0.000 1.047 44 R HN 0.077 nan 8.270 nan 0.000 0.468 45 S N 1.060 116.817 115.700 0.096 0.000 2.368 45 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 45 S C 0.976 175.623 174.600 0.078 0.000 1.044 45 S CA 2.063 60.337 58.200 0.123 0.000 1.062 45 S CB -0.113 63.206 63.200 0.199 0.000 0.931 45 S HN 0.864 nan 8.310 nan 0.000 0.440 46 T N 0.020 114.637 114.554 0.105 0.000 2.930 46 T HA 0.539 4.889 4.350 -0.000 0.000 0.290 46 T C -0.522 174.213 174.700 0.059 0.000 1.052 46 T CA -1.195 60.975 62.100 0.117 0.000 1.017 46 T CB 1.613 70.644 68.868 0.272 0.000 1.137 46 T HN 0.372 nan 8.240 nan 0.000 0.511 47 K N 0.828 121.212 120.400 -0.026 0.000 2.344 47 K HA 0.351 4.671 4.320 -0.000 0.000 0.260 47 K C -0.241 176.211 176.600 -0.246 0.000 0.988 47 K CA -0.849 55.337 56.287 -0.167 0.000 0.909 47 K CB -0.001 32.333 32.500 -0.277 0.000 0.968 47 K HN 0.349 nan 8.250 nan 0.000 0.505 48 V N 2.001 121.783 119.914 -0.219 0.000 2.715 48 V HA -0.049 4.071 4.120 -0.000 0.000 0.299 48 V C 0.212 176.084 176.094 -0.370 0.000 1.054 48 V CA 0.154 62.363 62.300 -0.152 0.000 1.077 48 V CB 0.253 32.027 31.823 -0.082 0.000 0.972 48 V HN 0.763 nan 8.190 nan 0.000 0.484 49 Y N 1.304 121.656 120.300 0.086 0.000 2.483 49 Y HA 0.343 4.893 4.550 -0.000 0.000 0.258 49 Y C 1.021 176.906 175.900 -0.024 0.000 1.083 49 Y CA -0.177 57.989 58.100 0.110 0.000 1.283 49 Y CB 0.665 39.215 38.460 0.149 0.000 1.178 49 Y HN 0.562 nan 8.280 nan 0.000 0.515 50 N N -1.086 117.575 118.700 -0.065 0.000 2.494 50 N HA 0.400 5.140 4.740 -0.000 0.000 0.270 50 N C 0.128 175.215 175.510 -0.704 0.000 1.285 50 N CA 0.388 53.161 53.050 -0.462 0.000 0.812 50 N CB 2.393 40.803 38.487 -0.129 0.000 1.557 50 N HN 0.308 nan 8.380 nan 0.000 0.487 51 G N 0.880 109.126 108.800 -0.923 0.000 2.581 51 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.291 51 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.291 51 G C -0.032 174.135 174.900 -1.221 0.000 1.277 51 G CA 1.290 45.512 45.100 -1.463 0.000 0.959 51 G HN 0.811 nan 8.290 nan 0.000 0.554 52 Q N -2.892 115.845 119.800 -1.771 0.000 1.221 52 Q HA -0.092 4.248 4.340 -0.000 0.000 0.317 52 Q C 1.048 176.846 176.000 -0.337 0.000 0.997 52 Q CA 1.344 56.750 55.803 -0.662 0.000 0.719 52 Q CB -1.530 27.007 28.738 -0.335 0.000 4.255 52 Q HN 2.514 nan 8.270 nan 0.000 0.500 53 A N 1.134 123.862 122.820 -0.153 0.000 2.425 53 A HA 0.271 4.590 4.320 -0.000 0.000 0.242 53 A C 0.349 177.905 177.584 -0.047 0.000 1.077 53 A CA 0.849 52.853 52.037 -0.055 0.000 0.781 53 A CB 0.011 19.002 19.000 -0.015 0.000 1.020 53 A HN 0.691 nan 8.150 nan 0.000 0.494 54 D N -0.111 120.294 120.400 0.008 0.000 2.430 54 D HA 0.135 4.775 4.640 -0.000 0.000 0.289 54 D C 0.464 176.785 176.300 0.034 0.000 1.215 54 D CA 0.582 54.593 54.000 0.018 0.000 0.838 54 D CB -0.652 40.168 40.800 0.033 0.000 1.290 54 D HN 0.677 nan 8.370 nan 0.000 0.521 55 G N 0.923 109.753 108.800 0.050 0.000 2.338 55 G HA2 0.582 4.542 3.960 -0.000 0.000 0.298 55 G HA3 0.582 4.542 3.960 -0.000 0.000 0.298 55 G C -0.681 174.234 174.900 0.025 0.000 1.140 55 G CA -0.596 44.534 45.100 0.051 0.000 0.860 55 G HN 0.151 nan 8.290 nan 0.000 0.470 56 L N 2.702 123.930 121.223 0.009 0.000 2.343 56 L HA 0.367 4.707 4.340 -0.000 0.000 0.278 56 L C 0.096 176.956 176.870 -0.016 0.000 0.996 56 L CA -0.817 54.010 54.840 -0.023 0.000 0.831 56 L CB 1.790 43.814 42.059 -0.058 0.000 1.232 56 L HN 0.374 nan 8.230 nan 0.000 0.413 57 Q N 0.536 120.321 119.800 -0.025 0.000 2.185 57 Q HA 0.217 4.557 4.340 -0.000 0.000 0.225 57 Q C 0.928 176.902 176.000 -0.044 0.000 0.983 57 Q CA -0.432 55.358 55.803 -0.021 0.000 0.950 57 Q CB 1.944 30.665 28.738 -0.029 0.000 1.176 57 Q HN 0.804 nan 8.270 nan 0.000 0.510 58 C N 0.375 119.661 119.300 -0.022 0.000 2.393 58 C HA -0.183 4.277 4.460 -0.000 0.000 0.276 58 C C 2.489 177.451 174.990 -0.046 0.000 1.215 58 C CA 1.031 60.050 59.018 0.001 0.000 1.743 58 C CB -0.787 26.958 27.740 0.009 0.000 2.044 58 C HN 0.800 nan 8.230 nan 0.000 0.464 59 R N 1.264 121.711 120.500 -0.088 0.000 2.115 59 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 59 R C 1.983 178.181 176.300 -0.169 0.000 1.111 59 R CA 2.064 58.092 56.100 -0.120 0.000 0.976 59 R CB -1.167 29.056 30.300 -0.128 0.000 0.870 59 R HN 0.565 nan 8.270 nan 0.000 0.445 60 T N 1.053 115.507 114.554 -0.168 0.000 2.708 60 T HA -0.110 4.239 4.350 -0.000 0.000 0.266 60 T C 1.745 176.285 174.700 -0.268 0.000 1.037 60 T CA 1.618 63.593 62.100 -0.208 0.000 1.146 60 T CB -0.228 68.552 68.868 -0.146 0.000 0.865 60 T HN 0.153 nan 8.240 nan 0.000 0.435 61 L N 0.687 121.744 121.223 -0.277 0.000 2.046 61 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 61 L C 2.740 179.255 176.870 -0.592 0.000 1.077 61 L CA 1.450 56.004 54.840 -0.477 0.000 0.747 61 L CB -0.582 41.173 42.059 -0.506 0.000 0.896 61 L HN 0.373 nan 8.230 nan 0.000 0.432 62 E N -0.542 119.468 120.200 -0.316 0.000 2.077 62 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 62 E C 2.284 178.769 176.600 -0.191 0.000 0.989 62 E CA 1.442 57.759 56.400 -0.139 0.000 0.800 62 E CB -0.111 29.587 29.700 -0.004 0.000 0.746 62 E HN 0.362 nan 8.360 nan 0.000 0.452 63 S N 1.224 116.754 115.700 -0.282 0.000 2.355 63 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 63 S C 2.077 176.488 174.600 -0.315 0.000 1.031 63 S CA 0.781 58.732 58.200 -0.416 0.000 0.993 63 S CB -0.228 62.450 63.200 -0.869 0.000 0.859 63 S HN 0.159 nan 8.310 nan 0.000 0.453 64 L N 1.231 122.269 121.223 -0.308 0.000 2.079 64 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 64 L C 2.513 179.272 176.870 -0.185 0.000 1.081 64 L CA 1.230 55.936 54.840 -0.223 0.000 0.752 64 L CB -0.458 41.456 42.059 -0.242 0.000 0.896 64 L HN 0.218 nan 8.230 nan 0.000 0.433 65 K N 1.060 121.320 120.400 -0.232 0.000 2.057 65 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 65 K C 1.534 178.089 176.600 -0.076 0.000 1.049 65 K CA 1.866 58.062 56.287 -0.152 0.000 0.931 65 K CB -0.369 32.059 32.500 -0.120 0.000 0.714 65 K HN 0.371 nan 8.250 nan 0.000 0.440 66 N N -0.335 118.328 118.700 -0.062 0.000 2.512 66 N HA -0.002 4.738 4.740 -0.000 0.000 0.183 66 N C 0.757 176.268 175.510 0.002 0.000 1.073 66 N CA 0.457 53.493 53.050 -0.023 0.000 0.911 66 N CB 0.070 38.566 38.487 0.015 0.000 0.964 66 N HN 0.129 nan 8.380 nan 0.000 0.447 67 L N -0.520 120.703 121.223 0.001 0.000 2.607 67 L HA 0.259 4.598 4.340 -0.000 0.000 0.228 67 L C 1.064 177.925 176.870 -0.015 0.000 1.123 67 L CA -0.186 54.663 54.840 0.016 0.000 0.890 67 L CB 0.159 42.246 42.059 0.047 0.000 1.103 67 L HN 0.173 nan 8.230 nan 0.000 0.468 68 G N 0.470 109.249 108.800 -0.035 0.000 2.147 68 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 68 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 68 G C 0.547 175.416 174.900 -0.051 0.000 1.005 68 G CA 0.379 45.457 45.100 -0.036 0.000 0.713 68 G HN 0.363 nan 8.290 nan 0.000 0.515 69 L N -0.851 120.326 121.223 -0.078 0.000 2.731 69 L HA 0.471 4.811 4.340 -0.000 0.000 0.240 69 L C 2.698 179.466 176.870 -0.169 0.000 1.120 69 L CA 0.823 55.598 54.840 -0.108 0.000 0.913 69 L CB 0.003 42.013 42.059 -0.082 0.000 1.213 69 L HN 0.283 nan 8.230 nan 0.000 0.515 70 A N 0.232 122.945 122.820 -0.179 0.000 1.874 70 A HA -0.148 4.172 4.320 -0.000 0.000 0.214 70 A C 1.793 179.277 177.584 -0.168 0.000 1.189 70 A CA 1.534 53.432 52.037 -0.232 0.000 0.615 70 A CB -0.305 18.480 19.000 -0.358 0.000 0.830 70 A HN 0.249 nan 8.150 nan 0.000 0.443 71 D N 0.036 120.373 120.400 -0.104 0.000 2.116 71 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 71 D C 1.908 178.141 176.300 -0.111 0.000 0.998 71 D CA 1.593 55.554 54.000 -0.065 0.000 0.836 71 D CB -0.219 40.562 40.800 -0.030 0.000 0.951 71 D HN 0.473 nan 8.370 nan 0.000 0.449 72 K N -0.091 120.200 120.400 -0.183 0.000 2.057 72 K HA -0.011 4.309 4.320 -0.000 0.000 0.207 72 K C 2.249 178.639 176.600 -0.351 0.000 1.049 72 K CA 0.589 56.703 56.287 -0.288 0.000 0.931 72 K CB -0.035 32.185 32.500 -0.466 0.000 0.714 72 K HN 0.157 nan 8.250 nan 0.000 0.440 73 I N 0.849 121.208 120.570 -0.351 0.000 2.252 73 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 73 I C 1.949 177.987 176.117 -0.133 0.000 1.102 73 I CA 1.130 62.286 61.300 -0.241 0.000 1.385 73 I CB -0.100 37.778 38.000 -0.203 0.000 1.064 73 I HN 0.132 nan 8.210 nan 0.000 0.414 74 L N 0.336 121.493 121.223 -0.110 0.000 2.275 74 L HA -0.146 4.194 4.340 -0.000 0.000 0.215 74 L C 2.605 179.457 176.870 -0.030 0.000 1.119 74 L CA 1.201 56.010 54.840 -0.052 0.000 0.790 74 L CB -0.517 41.529 42.059 -0.021 0.000 0.919 74 L HN 0.354 nan 8.230 nan 0.000 0.443 75 S N -1.347 114.330 115.700 -0.040 0.000 2.515 75 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 75 S C 1.491 176.091 174.600 0.000 0.000 0.987 75 S CA 0.818 59.011 58.200 -0.013 0.000 0.936 75 S CB -0.007 63.187 63.200 -0.009 0.000 0.766 75 S HN 0.533 nan 8.310 nan 0.000 0.528 76 E N 0.441 120.636 120.200 -0.008 0.000 2.391 76 E HA 0.417 4.767 4.350 -0.000 0.000 0.206 76 E C 0.712 177.315 176.600 0.005 0.000 0.851 76 E CA 0.193 56.598 56.400 0.008 0.000 1.059 76 E CB 0.574 30.281 29.700 0.012 0.000 1.065 76 E HN 0.566 nan 8.360 nan 0.000 0.512 77 A N 1.650 124.465 122.820 -0.009 0.000 2.386 77 A HA 0.237 4.557 4.320 -0.000 0.000 0.248 77 A C -0.099 177.497 177.584 0.020 0.000 1.082 77 A CA -0.126 51.910 52.037 -0.001 0.000 0.789 77 A CB 0.233 19.222 19.000 -0.018 0.000 1.025 77 A HN 0.100 nan 8.150 nan 0.000 0.490 78 N N 0.423 119.142 118.700 0.031 0.000 2.408 78 N HA 0.328 5.068 4.740 -0.000 0.000 0.280 78 N C -1.449 174.095 175.510 0.057 0.000 1.002 78 N CA -0.409 52.668 53.050 0.045 0.000 0.907 78 N CB 1.277 39.793 38.487 0.049 0.000 1.161 78 N HN 0.560 nan 8.380 nan 0.000 0.488 79 D N 3.825 124.267 120.400 0.069 0.000 2.347 79 D HA 0.132 4.772 4.640 -0.000 0.000 0.235 79 D C 0.887 177.237 176.300 0.083 0.000 1.149 79 D CA -0.088 53.968 54.000 0.094 0.000 0.850 79 D CB 0.641 41.521 40.800 0.134 0.000 1.061 79 D HN 0.584 nan 8.370 nan 0.000 0.487 80 M N 1.869 121.515 119.600 0.077 0.000 2.460 80 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 80 M C 1.405 177.740 176.300 0.057 0.000 1.071 80 M CA 0.274 55.617 55.300 0.071 0.000 1.096 80 M CB -0.194 32.455 32.600 0.081 0.000 1.408 80 M HN 0.426 nan 8.290 nan 0.000 0.463 81 S N -1.286 114.441 115.700 0.045 0.000 1.637 81 S HA -0.186 4.284 4.470 -0.000 0.000 0.232 81 S C 0.694 175.284 174.600 -0.016 0.000 0.808 81 S CA 2.095 60.304 58.200 0.015 0.000 1.437 81 S CB -1.057 62.165 63.200 0.036 0.000 1.838 81 S HN 0.613 nan 8.310 nan 0.000 0.525 82 T N 1.675 116.232 114.554 0.006 0.000 2.908 82 T HA 0.744 5.094 4.350 -0.000 0.000 0.290 82 T C -0.434 174.265 174.700 -0.000 0.000 1.034 82 T CA -0.450 61.645 62.100 -0.008 0.000 1.010 82 T CB 1.643 70.520 68.868 0.014 0.000 1.068 82 T HN 0.303 nan 8.240 nan 0.000 0.481 83 I N 2.271 122.808 120.570 -0.055 0.000 2.354 83 I HA 0.536 4.706 4.170 -0.000 0.000 0.286 83 I C 0.189 176.299 176.117 -0.011 0.000 1.007 83 I CA -0.793 60.461 61.300 -0.076 0.000 1.167 83 I CB 1.215 39.009 38.000 -0.344 0.000 1.320 83 I HN 0.655 nan 8.210 nan 0.000 0.458 84 A N 8.038 130.934 122.820 0.125 0.000 2.260 84 A HA 0.718 5.038 4.320 -0.000 0.000 0.308 84 A C -0.479 177.306 177.584 0.335 0.000 1.254 84 A CA -0.429 51.738 52.037 0.216 0.000 0.874 84 A CB 0.344 19.552 19.000 0.346 0.000 1.153 84 A HN 0.708 nan 8.150 nan 0.000 0.527 85 L N 3.052 124.421 121.223 0.244 0.000 2.264 85 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 85 L C -1.178 175.878 176.870 0.310 0.000 1.044 85 L CA -0.352 54.677 54.840 0.315 0.000 0.807 85 L CB 0.551 42.734 42.059 0.207 0.000 1.192 85 L HN 0.661 nan 8.230 nan 0.000 0.425 86 Y N 2.521 122.975 120.300 0.257 0.000 2.376 86 Y HA 0.434 4.984 4.550 -0.000 0.000 0.340 86 Y C -0.082 175.951 175.900 0.221 0.000 0.965 86 Y CA -1.042 57.205 58.100 0.244 0.000 1.078 86 Y CB 1.955 40.606 38.460 0.318 0.000 1.193 86 Y HN 0.671 nan 8.280 nan 0.000 0.452 87 N N 1.827 120.703 118.700 0.293 0.000 2.610 87 N HA 0.614 5.354 4.740 -0.000 0.000 0.264 87 N C -3.470 172.146 175.510 0.177 0.000 1.348 87 N CA -2.288 50.889 53.050 0.211 0.000 0.819 87 N CB 2.166 40.728 38.487 0.126 0.000 1.521 87 N HN 0.035 nan 8.380 nan 0.000 0.497 88 P HA 0.213 nan 4.420 nan 0.000 0.274 88 P C -0.661 176.701 177.300 0.104 0.000 1.231 88 P CA 0.057 63.239 63.100 0.137 0.000 0.790 88 P CB 0.564 32.330 31.700 0.110 0.000 0.951 89 D N 0.423 120.893 120.400 0.115 0.000 2.440 89 D HA -0.004 4.636 4.640 -0.000 0.000 0.269 89 D C 1.498 177.832 176.300 0.058 0.000 1.249 89 D CA -0.193 53.856 54.000 0.080 0.000 1.055 89 D CB 0.436 41.289 40.800 0.088 0.000 1.104 89 D HN 0.431 nan 8.370 nan 0.000 0.561 90 E N -0.045 120.174 120.200 0.033 0.000 2.358 90 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 90 E C 0.321 176.935 176.600 0.023 0.000 1.010 90 E CA 0.849 57.262 56.400 0.022 0.000 0.856 90 E CB -0.168 29.537 29.700 0.008 0.000 0.795 90 E HN 0.309 nan 8.360 nan 0.000 0.504 91 N N 0.543 119.255 118.700 0.020 0.000 2.236 91 N HA 0.076 4.816 4.740 -0.000 0.000 0.196 91 N C 0.697 176.285 175.510 0.131 0.000 1.114 91 N CA 0.632 53.695 53.050 0.021 0.000 0.859 91 N CB 1.143 39.563 38.487 -0.112 0.000 0.982 91 N HN 0.397 nan 8.380 nan 0.000 0.493 92 G N 1.231 110.115 108.800 0.141 0.000 2.143 92 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.249 92 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.249 92 G C -0.222 174.834 174.900 0.260 0.000 0.981 92 G CA -0.091 45.113 45.100 0.174 0.000 0.665 92 G HN 0.537 nan 8.290 nan 0.000 0.528 93 H N 0.296 119.420 119.070 0.090 0.000 2.668 93 H HA 0.409 4.964 4.556 -0.000 0.000 0.303 93 H C 1.393 176.814 175.328 0.156 0.000 1.074 93 H CA -0.288 55.818 56.048 0.097 0.000 1.406 93 H CB 0.813 30.601 29.762 0.044 0.000 1.442 93 H HN 0.520 nan 8.280 nan 0.000 0.482 94 I N 1.937 122.691 120.570 0.306 0.000 2.648 94 I HA 0.216 4.386 4.170 -0.000 0.000 0.284 94 I C -0.163 176.254 176.117 0.501 0.000 1.153 94 I CA -0.317 61.218 61.300 0.392 0.000 1.426 94 I CB 0.417 38.690 38.000 0.454 0.000 1.381 94 I HN 0.533 nan 8.210 nan 0.000 0.571 95 R N 3.494 124.211 120.500 0.361 0.000 2.739 95 R HA 0.524 4.864 4.340 -0.000 0.000 0.271 95 R C -0.993 175.130 176.300 -0.295 0.000 1.010 95 R CA -1.077 55.114 56.100 0.152 0.000 0.897 95 R CB 0.743 31.110 30.300 0.112 0.000 1.236 95 R HN 0.652 nan 8.270 nan 0.000 0.466 96 R N 0.785 120.823 120.500 -0.770 0.000 2.296 96 R HA 0.113 4.453 4.340 -0.000 0.000 0.323 96 R C -0.008 176.101 176.300 -0.318 0.000 1.067 96 R CA 0.601 56.162 56.100 -0.898 0.000 0.946 96 R CB 0.549 30.313 30.300 -0.893 0.000 0.991 96 R HN 0.970 nan 8.270 nan 0.000 0.448 97 T N -0.489 113.959 114.554 -0.177 0.000 3.022 97 T HA 0.173 4.523 4.350 -0.000 0.000 0.250 97 T C 0.225 174.895 174.700 -0.050 0.000 1.060 97 T CA -0.118 61.939 62.100 -0.071 0.000 1.013 97 T CB 0.380 69.240 68.868 -0.012 0.000 0.982 97 T HN 0.489 nan 8.240 nan 0.000 0.508 98 D N -0.230 120.137 120.400 -0.054 0.000 2.755 98 D HA 0.417 5.057 4.640 -0.000 0.000 0.277 98 D C -1.573 174.712 176.300 -0.025 0.000 1.261 98 D CA -0.631 53.350 54.000 -0.032 0.000 0.759 98 D CB 1.896 42.689 40.800 -0.012 0.000 1.279 98 D HN 0.114 nan 8.370 nan 0.000 0.420 99 R N 0.636 121.118 120.500 -0.030 0.000 2.564 99 R HA 0.670 5.010 4.340 -0.000 0.000 0.284 99 R C -0.635 175.629 176.300 -0.060 0.000 1.031 99 R CA -0.738 55.343 56.100 -0.032 0.000 0.904 99 R CB 2.056 32.344 30.300 -0.019 0.000 1.199 99 R HN 0.458 nan 8.270 nan 0.000 0.443 100 I N -0.844 119.667 120.570 -0.098 0.000 2.785 100 I HA 0.694 4.864 4.170 -0.000 0.000 0.302 100 I C -2.569 173.472 176.117 -0.126 0.000 1.069 100 I CA -3.050 58.178 61.300 -0.120 0.000 1.045 100 I CB 2.466 40.365 38.000 -0.168 0.000 1.236 100 I HN 0.347 nan 8.210 nan 0.000 0.429 101 P HA 0.065 nan 4.420 nan 0.000 0.269 101 P C -0.457 176.769 177.300 -0.123 0.000 1.209 101 P CA 0.293 63.327 63.100 -0.111 0.000 0.776 101 P CB 1.214 32.848 31.700 -0.110 0.000 0.876 102 D N 1.029 121.367 120.400 -0.104 0.000 2.194 102 D HA -0.041 4.599 4.640 -0.000 0.000 0.204 102 D C -0.109 176.155 176.300 -0.059 0.000 0.964 102 D CA 1.190 55.149 54.000 -0.067 0.000 0.846 102 D CB 0.241 41.029 40.800 -0.020 0.000 0.962 102 D HN 0.277 nan 8.370 nan 0.000 0.490 103 T N 0.310 114.793 114.554 -0.117 0.000 2.856 103 T HA 0.420 4.770 4.350 -0.000 0.000 0.283 103 T C -0.312 174.304 174.700 -0.140 0.000 1.008 103 T CA -0.708 61.318 62.100 -0.123 0.000 0.997 103 T CB 1.735 70.492 68.868 -0.186 0.000 0.992 103 T HN -0.022 nan 8.240 nan 0.000 0.454 104 L N 4.270 125.435 121.223 -0.098 0.000 2.410 104 L HA 0.274 4.614 4.340 -0.000 0.000 0.273 104 L C -2.013 174.802 176.870 -0.092 0.000 1.144 104 L CA -1.901 52.886 54.840 -0.088 0.000 0.863 104 L CB 0.082 42.100 42.059 -0.068 0.000 1.140 104 L HN 0.340 nan 8.230 nan 0.000 0.463 105 P HA -0.010 nan 4.420 nan 0.000 0.264 105 P C 0.837 178.106 177.300 -0.052 0.000 1.183 105 P CA 0.758 63.816 63.100 -0.069 0.000 0.763 105 P CB 0.682 32.349 31.700 -0.056 0.000 0.807 106 G N 2.908 111.685 108.800 -0.039 0.000 2.212 106 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.266 106 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.266 106 G C 0.952 175.817 174.900 -0.059 0.000 0.978 106 G CA 0.304 45.377 45.100 -0.045 0.000 0.632 106 G HN 0.566 nan 8.290 nan 0.000 0.537 107 I N 0.078 120.615 120.570 -0.054 0.000 2.394 107 I HA 0.237 4.406 4.170 -0.000 0.000 0.251 107 I C 1.219 177.299 176.117 -0.062 0.000 1.136 107 I CA 1.750 63.014 61.300 -0.061 0.000 1.425 107 I CB 0.102 38.067 38.000 -0.058 0.000 1.079 107 I HN 0.401 nan 8.210 nan 0.000 0.425 108 S N -1.182 114.490 115.700 -0.047 0.000 2.611 108 S HA 0.281 4.751 4.470 -0.000 0.000 0.268 108 S C 0.538 175.082 174.600 -0.093 0.000 1.156 108 S CA -0.853 57.312 58.200 -0.059 0.000 0.817 108 S CB 1.097 64.295 63.200 -0.004 0.000 1.122 108 S HN 0.322 nan 8.310 nan 0.000 0.466 109 R N 0.403 120.765 120.500 -0.231 0.000 2.299 109 R HA 0.173 4.513 4.340 -0.000 0.000 0.197 109 R C -0.636 175.331 176.300 -0.555 0.000 0.971 109 R CA 0.438 56.268 56.100 -0.450 0.000 1.030 109 R CB -0.328 29.494 30.300 -0.798 0.000 0.932 109 R HN 0.490 nan 8.270 nan 0.000 0.477 110 Y N 0.788 121.016 120.300 -0.120 0.000 2.409 110 Y HA 0.385 4.935 4.550 -0.000 0.000 0.339 110 Y C -0.066 175.868 175.900 0.056 0.000 1.033 110 Y CA -0.965 57.073 58.100 -0.104 0.000 1.094 110 Y CB 1.442 39.840 38.460 -0.103 0.000 1.210 110 Y HN -0.026 nan 8.280 nan 0.000 0.456 111 H N 0.749 119.884 119.070 0.109 0.000 2.499 111 H HA 0.220 4.776 4.556 -0.000 0.000 0.340 111 H C -0.553 174.806 175.328 0.051 0.000 1.148 111 H CA -1.279 54.799 56.048 0.049 0.000 1.215 111 H CB 1.493 31.273 29.762 0.030 0.000 1.529 111 H HN 0.580 nan 8.280 nan 0.000 0.510 112 Q N 2.209 122.102 119.800 0.155 0.000 2.310 112 Q HA 0.085 4.425 4.340 -0.000 0.000 0.315 112 Q C -0.718 175.342 176.000 0.099 0.000 1.081 112 Q CA -0.101 55.757 55.803 0.093 0.000 0.981 112 Q CB 0.444 29.225 28.738 0.071 0.000 1.184 112 Q HN 0.460 nan 8.270 nan 0.000 0.389 113 V N 1.074 121.025 119.914 0.061 0.000 3.102 113 V HA 0.855 4.975 4.120 -0.000 0.000 0.312 113 V C -0.628 175.489 176.094 0.037 0.000 1.135 113 V CA -0.738 61.593 62.300 0.052 0.000 1.022 113 V CB 1.811 33.653 31.823 0.031 0.000 1.056 113 V HN 0.657 nan 8.190 nan 0.000 0.436 114 V N 0.621 120.558 119.914 0.038 0.000 2.735 114 V HA 0.969 5.089 4.120 -0.000 0.000 0.310 114 V C -0.900 175.204 176.094 0.017 0.000 1.061 114 V CA -0.714 61.608 62.300 0.036 0.000 0.913 114 V CB 1.333 33.191 31.823 0.059 0.000 1.005 114 V HN 1.406 nan 8.190 nan 0.000 0.428 115 L N 4.119 125.341 121.223 -0.002 0.000 2.592 115 L HA 0.525 4.865 4.340 -0.000 0.000 0.258 115 L C -0.294 176.533 176.870 -0.072 0.000 0.926 115 L CA -0.271 54.542 54.840 -0.044 0.000 0.885 115 L CB 2.075 44.089 42.059 -0.075 0.000 1.380 115 L HN 1.111 nan 8.230 nan 0.000 0.415 116 H N 2.278 121.327 119.070 -0.034 0.000 2.745 116 H HA 0.102 4.658 4.556 -0.000 0.000 0.373 116 H C 0.237 175.514 175.328 -0.086 0.000 1.226 116 H CA 0.363 56.356 56.048 -0.091 0.000 1.435 116 H CB 0.778 30.459 29.762 -0.134 0.000 1.461 116 H HN 0.863 nan 8.280 nan 0.000 0.616 117 Q N 1.806 121.626 119.800 0.033 0.000 2.152 117 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 117 Q C 2.315 178.313 176.000 -0.004 0.000 0.985 117 Q CA 1.859 57.652 55.803 -0.017 0.000 0.863 117 Q CB -0.549 28.155 28.738 -0.056 0.000 0.904 117 Q HN 0.963 nan 8.270 nan 0.000 0.422 118 G N 0.704 109.616 108.800 0.186 0.000 2.440 118 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 118 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 118 G C 1.362 176.221 174.900 -0.069 0.000 1.154 118 G CA 0.661 45.809 45.100 0.079 0.000 0.767 118 G HN 0.218 nan 8.290 nan 0.000 0.552 119 R N 0.068 120.403 120.500 -0.276 0.000 2.075 119 R HA 0.056 4.396 4.340 -0.000 0.000 0.232 119 R C 2.496 178.767 176.300 -0.049 0.000 1.126 119 R CA 0.633 56.615 56.100 -0.196 0.000 0.963 119 R CB -1.005 29.114 30.300 -0.302 0.000 0.858 119 R HN 0.419 nan 8.270 nan 0.000 0.435 120 I N 1.617 122.145 120.570 -0.071 0.000 2.163 120 I HA -0.215 3.955 4.170 -0.000 0.000 0.240 120 I C 2.291 178.408 176.117 -0.000 0.000 1.081 120 I CA 1.404 62.699 61.300 -0.008 0.000 1.353 120 I CB -0.382 37.596 38.000 -0.036 0.000 1.054 120 I HN 0.177 nan 8.210 nan 0.000 0.407 121 E N 0.058 120.232 120.200 -0.043 0.000 2.070 121 E HA -0.337 4.013 4.350 -0.000 0.000 0.197 121 E C 2.273 178.830 176.600 -0.071 0.000 1.004 121 E CA 1.531 57.898 56.400 -0.056 0.000 0.805 121 E CB -0.325 29.323 29.700 -0.087 0.000 0.744 121 E HN 0.283 nan 8.360 nan 0.000 0.451 122 R N 0.812 121.246 120.500 -0.111 0.000 2.113 122 R HA -0.213 4.127 4.340 -0.000 0.000 0.244 122 R C 2.218 178.394 176.300 -0.206 0.000 1.142 122 R CA 1.868 57.866 56.100 -0.170 0.000 0.953 122 R CB -0.488 29.686 30.300 -0.210 0.000 0.860 122 R HN 0.321 nan 8.270 nan 0.000 0.438 123 H N -0.192 118.855 119.070 -0.039 0.000 2.357 123 H HA -0.014 4.542 4.556 -0.000 0.000 0.301 123 H C 2.122 177.433 175.328 -0.028 0.000 1.082 123 H CA 1.956 57.984 56.048 -0.033 0.000 1.342 123 H CB -0.083 29.653 29.762 -0.044 0.000 1.389 123 H HN 0.288 nan 8.280 nan 0.000 0.511 124 I N 0.394 121.009 120.570 0.075 0.000 2.353 124 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 124 I C 2.455 178.583 176.117 0.018 0.000 1.119 124 I CA 0.570 61.894 61.300 0.040 0.000 1.417 124 I CB -0.278 37.737 38.000 0.025 0.000 1.078 124 I HN 0.076 nan 8.210 nan 0.000 0.421 125 L N 0.615 121.834 121.223 -0.007 0.000 2.042 125 L HA -0.258 4.081 4.340 -0.000 0.000 0.210 125 L C 2.176 179.037 176.870 -0.014 0.000 1.076 125 L CA 1.407 56.235 54.840 -0.020 0.000 0.749 125 L CB -0.646 41.386 42.059 -0.045 0.000 0.893 125 L HN 0.287 nan 8.230 nan 0.000 0.432 126 D N -1.170 119.220 120.400 -0.017 0.000 2.117 126 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 126 D C 2.356 178.669 176.300 0.021 0.000 0.982 126 D CA 1.308 55.307 54.000 -0.003 0.000 0.828 126 D CB -0.100 40.696 40.800 -0.007 0.000 0.967 126 D HN 0.101 nan 8.370 nan 0.000 0.464 127 S N -0.090 115.633 115.700 0.038 0.000 2.368 127 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 127 S C 2.122 176.735 174.600 0.021 0.000 1.030 127 S CA 0.493 58.713 58.200 0.033 0.000 0.999 127 S CB -0.244 62.979 63.200 0.038 0.000 0.844 127 S HN 0.157 nan 8.310 nan 0.000 0.459 128 I N 1.605 122.186 120.570 0.019 0.000 2.151 128 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 128 I C 2.768 178.892 176.117 0.012 0.000 1.080 128 I CA 1.260 62.569 61.300 0.016 0.000 1.339 128 I CB -0.644 37.364 38.000 0.013 0.000 1.039 128 I HN 0.363 nan 8.210 nan 0.000 0.409 129 A N 0.361 123.186 122.820 0.007 0.000 1.873 129 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 129 A C 2.332 179.920 177.584 0.007 0.000 1.193 129 A CA 2.306 54.346 52.037 0.005 0.000 0.629 129 A CB -0.797 18.204 19.000 0.000 0.000 0.826 129 A HN 0.567 nan 8.150 nan 0.000 0.447 130 E N -0.439 119.766 120.200 0.009 0.000 2.017 130 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 130 E C 1.953 178.556 176.600 0.005 0.000 0.997 130 E CA 1.423 57.828 56.400 0.008 0.000 0.804 130 E CB -0.204 29.503 29.700 0.012 0.000 0.757 130 E HN 0.471 nan 8.360 nan 0.000 0.448 131 I N 1.746 122.318 120.570 0.004 0.000 2.163 131 I HA -0.224 3.945 4.170 -0.000 0.000 0.243 131 I C 2.697 178.814 176.117 -0.000 0.000 1.085 131 I CA 1.677 62.975 61.300 -0.003 0.000 1.347 131 I CB -1.564 36.431 38.000 -0.008 0.000 1.044 131 I HN 0.219 nan 8.210 nan 0.000 0.408 132 S N 0.134 115.838 115.700 0.008 0.000 2.660 132 S HA -0.096 4.374 4.470 -0.000 0.000 0.223 132 S C 0.726 175.333 174.600 0.012 0.000 0.963 132 S CA 0.367 58.575 58.200 0.013 0.000 0.932 132 S CB -0.734 62.477 63.200 0.020 0.000 0.775 132 S HN 0.484 nan 8.310 nan 0.000 0.531 133 D N 1.202 121.607 120.400 0.008 0.000 2.697 133 D HA -0.186 4.454 4.640 -0.000 0.000 0.235 133 D C 0.342 176.648 176.300 0.009 0.000 1.167 133 D CA 1.239 55.243 54.000 0.008 0.000 0.656 133 D CB -2.210 38.595 40.800 0.008 0.000 1.025 133 D HN 0.602 nan 8.370 nan 0.000 0.419 134 T N -1.378 113.181 114.554 0.008 0.000 4.881 134 T HA -0.321 4.029 4.350 -0.000 0.000 0.318 134 T C 1.129 175.835 174.700 0.009 0.000 1.054 134 T CA 1.311 63.415 62.100 0.006 0.000 2.138 134 T CB -0.785 68.084 68.868 0.003 0.000 2.039 134 T HN 0.441 nan 8.240 nan 0.000 0.926 135 R N -0.157 120.351 120.500 0.014 0.000 2.276 135 R HA 0.377 4.717 4.340 -0.000 0.000 0.196 135 R C 0.941 177.255 176.300 0.023 0.000 0.961 135 R CA 0.282 56.393 56.100 0.019 0.000 1.024 135 R CB 0.296 30.611 30.300 0.024 0.000 0.940 135 R HN 0.535 nan 8.270 nan 0.000 0.480 136 I N 2.025 122.607 120.570 0.020 0.000 2.355 136 I HA 0.228 4.398 4.170 -0.000 0.000 0.288 136 I C -0.479 175.645 176.117 0.012 0.000 0.999 136 I CA -0.409 60.904 61.300 0.022 0.000 1.163 136 I CB 1.267 39.284 38.000 0.027 0.000 1.316 136 I HN -0.239 nan 8.210 nan 0.000 0.454 137 K N 4.926 125.331 120.400 0.008 0.000 2.477 137 K HA 0.558 4.878 4.320 -0.000 0.000 0.255 137 K C -1.118 175.477 176.600 -0.008 0.000 0.952 137 K CA -0.889 55.397 56.287 -0.002 0.000 0.826 137 K CB 2.807 35.304 32.500 -0.006 0.000 1.331 137 K HN 0.147 nan 8.250 nan 0.000 0.437 138 V N 2.233 122.137 119.914 -0.017 0.000 2.479 138 V HA 0.031 4.151 4.120 -0.000 0.000 0.281 138 V C -0.068 176.004 176.094 -0.036 0.000 1.031 138 V CA -0.031 62.254 62.300 -0.026 0.000 1.038 138 V CB 0.218 32.023 31.823 -0.030 0.000 0.981 138 V HN 0.661 nan 8.190 nan 0.000 0.478 139 E N 6.433 126.607 120.200 -0.045 0.000 2.115 139 E HA 0.571 4.921 4.350 -0.000 0.000 0.282 139 E C -0.040 176.503 176.600 -0.094 0.000 0.987 139 E CA -0.484 55.880 56.400 -0.060 0.000 0.797 139 E CB 1.013 30.678 29.700 -0.058 0.000 1.086 139 E HN 0.733 nan 8.360 nan 0.000 0.397 140 R N 2.062 122.504 120.500 -0.098 0.000 2.710 140 R HA 0.486 4.826 4.340 -0.000 0.000 0.270 140 R C -3.231 172.996 176.300 -0.122 0.000 1.021 140 R CA -2.243 53.799 56.100 -0.098 0.000 0.889 140 R CB 1.427 31.690 30.300 -0.062 0.000 1.243 140 R HN 0.146 nan 8.270 nan 0.000 0.464 141 P HA 0.325 nan 4.420 nan 0.000 0.292 141 P C -0.743 176.510 177.300 -0.078 0.000 1.326 141 P CA -0.404 62.685 63.100 -0.019 0.000 0.787 141 P CB 0.978 32.728 31.700 0.085 0.000 0.903 142 L N 4.593 125.716 121.223 -0.166 0.000 2.354 142 L HA 0.666 5.005 4.340 -0.000 0.000 0.269 142 L C 0.136 176.866 176.870 -0.233 0.000 1.005 142 L CA -1.083 53.584 54.840 -0.288 0.000 0.819 142 L CB 2.576 44.352 42.059 -0.471 0.000 1.311 142 L HN 0.338 nan 8.230 nan 0.000 0.423 143 I N 3.142 123.558 120.570 -0.257 0.000 2.607 143 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 143 I C -2.512 173.384 176.117 -0.368 0.000 1.129 143 I CA -1.914 59.215 61.300 -0.285 0.000 1.042 143 I CB 3.458 41.317 38.000 -0.235 0.000 1.242 143 I HN 0.336 nan 8.210 nan 0.000 0.421 144 P HA 0.196 nan 4.420 nan 0.000 0.269 144 P C -0.610 176.235 177.300 -0.758 0.000 1.209 144 P CA 0.204 62.909 63.100 -0.658 0.000 0.776 144 P CB 0.784 31.916 31.700 -0.947 0.000 0.876 145 E N 0.481 120.461 120.200 -0.367 0.000 2.508 145 E HA 0.128 4.478 4.350 -0.000 0.000 0.217 145 E C 0.172 176.896 176.600 0.206 0.000 0.896 145 E CA 0.092 56.426 56.400 -0.109 0.000 1.118 145 E CB 0.578 30.253 29.700 -0.043 0.000 1.133 145 E HN 0.309 nan 8.360 nan 0.000 0.526 146 K N 0.691 121.240 120.400 0.247 0.000 2.562 146 K HA 0.426 4.746 4.320 -0.000 0.000 0.267 146 K C -1.934 174.872 176.600 0.343 0.000 0.938 146 K CA -0.585 55.904 56.287 0.337 0.000 0.840 146 K CB 1.912 34.506 32.500 0.157 0.000 1.390 146 K HN -0.046 nan 8.250 nan 0.000 0.428 147 M N 2.925 122.681 119.600 0.260 0.000 2.271 147 M HA 0.390 4.870 4.480 -0.000 0.000 0.285 147 M C -1.968 174.359 176.300 0.045 0.000 1.059 147 M CA -0.150 55.247 55.300 0.161 0.000 0.940 147 M CB 2.008 34.699 32.600 0.152 0.000 1.636 147 M HN 0.589 nan 8.290 nan 0.000 0.460 148 E N 5.620 125.841 120.200 0.036 0.000 2.218 148 E HA 0.557 4.907 4.350 -0.000 0.000 0.263 148 E C -1.393 175.212 176.600 0.008 0.000 0.879 148 E CA -0.562 55.846 56.400 0.014 0.000 0.762 148 E CB 2.591 32.307 29.700 0.027 0.000 1.166 148 E HN 0.644 nan 8.360 nan 0.000 0.415 149 I N 1.843 122.404 120.570 -0.016 0.000 2.404 149 I HA 0.204 4.374 4.170 -0.000 0.000 0.293 149 I C -0.430 175.677 176.117 -0.017 0.000 0.992 149 I CA -0.749 60.538 61.300 -0.021 0.000 1.149 149 I CB 1.454 39.426 38.000 -0.046 0.000 1.315 149 I HN 0.439 nan 8.210 nan 0.000 0.446 150 D N 4.136 124.529 120.400 -0.012 0.000 2.485 150 D HA 0.194 4.834 4.640 -0.000 0.000 0.221 150 D C 0.712 176.999 176.300 -0.022 0.000 1.112 150 D CA -0.092 53.901 54.000 -0.011 0.000 0.911 150 D CB 1.100 41.899 40.800 -0.001 0.000 1.019 150 D HN 0.411 nan 8.370 nan 0.000 0.516 151 S N 1.060 116.747 115.700 -0.022 0.000 2.469 151 S HA -0.150 4.320 4.470 -0.000 0.000 0.238 151 S C 1.898 176.486 174.600 -0.020 0.000 0.998 151 S CA 0.980 59.166 58.200 -0.023 0.000 0.957 151 S CB -0.021 63.168 63.200 -0.017 0.000 0.764 151 S HN 0.622 nan 8.310 nan 0.000 0.514 152 S N 0.843 116.534 115.700 -0.016 0.000 2.522 152 S HA 0.145 4.615 4.470 -0.000 0.000 0.227 152 S C 1.254 175.843 174.600 -0.017 0.000 0.986 152 S CA 0.394 58.586 58.200 -0.013 0.000 0.929 152 S CB -0.106 63.089 63.200 -0.009 0.000 0.769 152 S HN 0.328 nan 8.310 nan 0.000 0.529 153 K N 0.570 120.956 120.400 -0.024 0.000 2.358 153 K HA 0.494 4.814 4.320 -0.000 0.000 0.197 153 K C 1.918 178.488 176.600 -0.051 0.000 1.025 153 K CA 0.382 56.650 56.287 -0.032 0.000 1.104 153 K CB -0.028 32.456 32.500 -0.026 0.000 0.855 153 K HN 0.378 nan 8.250 nan 0.000 0.531 154 A N 1.609 124.401 122.820 -0.048 0.000 1.915 154 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 154 A C 1.465 179.023 177.584 -0.043 0.000 1.198 154 A CA 1.790 53.794 52.037 -0.054 0.000 0.647 154 A CB -0.180 18.801 19.000 -0.033 0.000 0.825 154 A HN 0.195 nan 8.150 nan 0.000 0.456 155 E N 0.062 120.247 120.200 -0.025 0.000 2.463 155 E HA 0.073 4.423 4.350 -0.000 0.000 0.193 155 E C -0.554 176.036 176.600 -0.017 0.000 1.041 155 E CA -0.089 56.305 56.400 -0.011 0.000 0.879 155 E CB -0.202 29.497 29.700 -0.002 0.000 0.997 155 E HN 0.610 nan 8.360 nan 0.000 0.478 156 D N 1.816 122.195 120.400 -0.035 0.000 2.295 156 D HA 0.061 4.701 4.640 -0.000 0.000 0.248 156 D C -1.400 174.865 176.300 -0.058 0.000 1.154 156 D CA -2.154 51.823 54.000 -0.038 0.000 0.857 156 D CB 1.512 42.290 40.800 -0.037 0.000 1.117 156 D HN -0.160 nan 8.370 nan 0.000 0.468 157 P HA -0.077 nan 4.420 nan 0.000 0.221 157 P C 0.554 177.801 177.300 -0.088 0.000 1.150 157 P CA 0.757 63.831 63.100 -0.043 0.000 0.800 157 P CB 0.527 32.220 31.700 -0.011 0.000 0.787 158 E N -0.139 120.013 120.200 -0.080 0.000 2.385 158 E HA 0.140 4.490 4.350 -0.000 0.000 0.194 158 E C 1.276 177.786 176.600 -0.150 0.000 1.013 158 E CA 0.053 56.398 56.400 -0.091 0.000 0.866 158 E CB -0.388 29.296 29.700 -0.028 0.000 0.832 158 E HN 0.204 nan 8.360 nan 0.000 0.500 159 A N 0.510 123.243 122.820 -0.145 0.000 2.310 159 A HA 0.301 4.621 4.320 -0.000 0.000 0.260 159 A C -0.715 176.674 177.584 -0.324 0.000 1.112 159 A CA -0.073 51.900 52.037 -0.108 0.000 0.804 159 A CB 0.090 19.055 19.000 -0.058 0.000 1.081 159 A HN 0.129 nan 8.150 nan 0.000 0.499 160 Y N -0.069 120.233 120.300 0.003 0.000 2.658 160 Y HA 0.323 4.873 4.550 -0.000 0.000 0.362 160 Y C -1.880 174.018 175.900 -0.003 0.000 1.017 160 Y CA -1.455 56.663 58.100 0.030 0.000 1.134 160 Y CB 1.128 39.684 38.460 0.161 0.000 1.144 160 Y HN 0.507 nan 8.280 nan 0.000 0.655 161 P HA -0.051 nan 4.420 nan 0.000 0.229 161 P C -0.101 177.209 177.300 0.016 0.000 1.160 161 P CA 0.918 64.013 63.100 -0.007 0.000 0.777 161 P CB 0.493 32.144 31.700 -0.081 0.000 0.814 162 V N -0.052 119.884 119.914 0.035 0.000 2.384 162 V HA 0.278 4.398 4.120 -0.000 0.000 0.287 162 V C 0.052 176.200 176.094 0.091 0.000 1.020 162 V CA -0.369 61.957 62.300 0.043 0.000 0.850 162 V CB 1.455 33.287 31.823 0.015 0.000 0.987 162 V HN -0.138 nan 8.190 nan 0.000 0.436 163 T N 6.574 121.176 114.554 0.081 0.000 2.770 163 T HA 0.540 4.890 4.350 -0.000 0.000 0.297 163 T C -0.176 174.533 174.700 0.014 0.000 0.997 163 T CA -0.466 61.667 62.100 0.056 0.000 0.949 163 T CB 0.660 69.581 68.868 0.088 0.000 0.941 163 T HN 0.364 nan 8.240 nan 0.000 0.457 164 M N 3.014 122.599 119.600 -0.025 0.000 2.238 164 M HA 0.346 4.826 4.480 -0.000 0.000 0.350 164 M C 0.095 176.366 176.300 -0.047 0.000 1.138 164 M CA -0.580 54.719 55.300 -0.001 0.000 1.040 164 M CB 1.170 33.771 32.600 0.002 0.000 1.639 164 M HN 0.374 nan 8.290 nan 0.000 0.451 165 T N 5.164 119.709 114.554 -0.014 0.000 2.753 165 T HA 0.670 5.020 4.350 -0.000 0.000 0.297 165 T C 0.134 174.795 174.700 -0.065 0.000 0.981 165 T CA -0.476 61.610 62.100 -0.024 0.000 0.956 165 T CB 0.546 69.425 68.868 0.018 0.000 0.936 165 T HN 0.457 nan 8.240 nan 0.000 0.463 166 L N 3.122 124.303 121.223 -0.070 0.000 2.331 166 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 166 L C 0.355 177.179 176.870 -0.076 0.000 1.022 166 L CA -1.100 53.661 54.840 -0.132 0.000 0.812 166 L CB 1.756 43.700 42.059 -0.191 0.000 1.257 166 L HN 0.408 nan 8.230 nan 0.000 0.435 167 R N 1.273 121.692 120.500 -0.135 0.000 2.437 167 R HA 0.388 4.728 4.340 -0.000 0.000 0.310 167 R C -1.557 174.684 176.300 -0.099 0.000 0.955 167 R CA -0.614 55.459 56.100 -0.046 0.000 0.851 167 R CB 1.087 31.358 30.300 -0.048 0.000 1.161 167 R HN 0.380 nan 8.270 nan 0.000 0.446 168 Y N 4.807 125.077 120.300 -0.050 0.000 2.436 168 Y HA 0.176 4.726 4.550 -0.000 0.000 0.343 168 Y C 0.611 176.519 175.900 0.013 0.000 1.008 168 Y CA 0.124 58.210 58.100 -0.023 0.000 1.241 168 Y CB 0.863 39.307 38.460 -0.027 0.000 1.153 168 Y HN 0.376 nan 8.280 nan 0.000 0.521 169 M N 2.235 121.911 119.600 0.125 0.000 2.368 169 M HA 0.395 4.874 4.480 -0.000 0.000 0.311 169 M C 0.327 176.773 176.300 0.243 0.000 1.168 169 M CA -0.658 54.721 55.300 0.133 0.000 1.044 169 M CB 1.276 33.926 32.600 0.084 0.000 1.506 169 M HN 0.636 nan 8.290 nan 0.000 0.475 170 S N -1.125 114.670 115.700 0.159 0.000 2.690 170 S HA 0.199 4.668 4.470 -0.000 0.000 0.291 170 S C 0.549 175.038 174.600 -0.186 0.000 1.138 170 S CA -0.756 57.496 58.200 0.087 0.000 1.013 170 S CB 1.411 64.682 63.200 0.119 0.000 1.053 170 S HN 0.788 nan 8.310 nan 0.000 0.539 171 D N 0.665 120.479 120.400 -0.977 0.000 2.133 171 D HA -0.228 4.412 4.640 -0.000 0.000 0.192 171 D C 1.589 177.560 176.300 -0.549 0.000 1.001 171 D CA 1.915 55.203 54.000 -1.185 0.000 0.844 171 D CB -0.477 39.423 40.800 -1.500 0.000 0.944 171 D HN 0.815 nan 8.370 nan 0.000 0.447 172 H N -0.377 118.553 119.070 -0.234 0.000 2.547 172 H HA 0.030 4.586 4.556 -0.000 0.000 0.272 172 H C 1.661 176.947 175.328 -0.070 0.000 0.989 172 H CA 0.974 56.950 56.048 -0.120 0.000 1.214 172 H CB 0.154 29.856 29.762 -0.101 0.000 1.389 172 H HN 0.517 nan 8.280 nan 0.000 0.577 173 E N 1.991 122.233 120.200 0.069 0.000 2.415 173 E HA 0.021 4.370 4.350 -0.000 0.000 0.197 173 E C 0.280 176.900 176.600 0.033 0.000 1.007 173 E CA -0.066 56.362 56.400 0.048 0.000 0.890 173 E CB 0.246 29.972 29.700 0.043 0.000 0.891 173 E HN 0.146 nan 8.360 nan 0.000 0.496 174 S N 0.964 116.682 115.700 0.030 0.000 2.537 174 S HA 0.280 4.750 4.470 -0.000 0.000 0.275 174 S C -0.075 174.546 174.600 0.035 0.000 1.272 174 S CA -0.723 57.502 58.200 0.043 0.000 1.050 174 S CB 1.468 64.715 63.200 0.078 0.000 0.961 174 S HN 0.030 nan 8.310 nan 0.000 0.496 175 T N 4.747 119.327 114.554 0.044 0.000 2.728 175 T HA 0.445 4.795 4.350 -0.000 0.000 0.296 175 T C -2.328 172.411 174.700 0.066 0.000 0.940 175 T CA -0.887 61.243 62.100 0.049 0.000 1.013 175 T CB 0.367 69.266 68.868 0.052 0.000 0.912 175 T HN 0.482 nan 8.240 nan 0.000 0.484 176 P HA 0.351 nan 4.420 nan 0.000 0.278 176 P C -0.458 176.904 177.300 0.103 0.000 1.238 176 P CA -0.687 62.463 63.100 0.083 0.000 0.794 176 P CB 0.582 32.318 31.700 0.060 0.000 0.955 177 L N 1.900 123.210 121.223 0.144 0.000 2.397 177 L HA 0.163 4.503 4.340 -0.000 0.000 0.271 177 L C 2.137 179.101 176.870 0.157 0.000 1.148 177 L CA -0.082 54.873 54.840 0.192 0.000 0.825 177 L CB 0.370 42.584 42.059 0.260 0.000 1.117 177 L HN 0.535 nan 8.230 nan 0.000 0.456 178 Q N 2.547 122.421 119.800 0.123 0.000 2.170 178 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 178 Q C -0.004 175.844 176.000 -0.254 0.000 0.976 178 Q CA 1.532 57.265 55.803 -0.115 0.000 0.858 178 Q CB 0.125 28.724 28.738 -0.231 0.000 0.907 178 Q HN 0.559 nan 8.270 nan 0.000 0.433 179 F N 0.793 120.885 119.950 0.237 0.000 2.387 179 F HA 0.451 4.978 4.527 -0.000 0.000 0.332 179 F C 0.712 176.644 175.800 0.219 0.000 1.174 179 F CA -0.551 57.595 58.000 0.243 0.000 1.257 179 F CB 0.643 39.880 39.000 0.394 0.000 1.569 179 F HN -0.008 nan 8.300 nan 0.000 0.554 180 G N -0.421 108.527 108.800 0.246 0.000 2.543 180 G HA2 0.068 4.028 3.960 -0.000 0.000 0.290 180 G HA3 0.068 4.028 3.960 -0.000 0.000 0.290 180 G C -0.658 174.304 174.900 0.104 0.000 1.310 180 G CA -0.548 44.693 45.100 0.236 0.000 1.025 180 G HN 0.539 nan 8.290 nan 0.000 0.502 181 H N 0.241 119.167 119.070 -0.240 0.000 3.140 181 H HA 0.027 4.583 4.556 -0.000 0.000 0.316 181 H C -0.430 174.759 175.328 -0.231 0.000 0.986 181 H CA 1.011 56.685 56.048 -0.623 0.000 1.397 181 H CB 0.333 29.384 29.762 -1.186 0.000 1.377 181 H HN 0.156 nan 8.280 nan 0.000 0.585 182 K N 4.239 124.098 120.400 -0.902 0.000 2.413 182 K HA 0.169 4.489 4.320 -0.000 0.000 0.257 182 K C -0.431 175.802 176.600 -0.611 0.000 0.946 182 K CA -0.745 55.247 56.287 -0.492 0.000 0.823 182 K CB 1.474 33.848 32.500 -0.211 0.000 1.109 182 K HN 0.594 nan 8.250 nan 0.000 0.427 183 T N 2.704 117.101 114.554 -0.262 0.000 2.934 183 T HA -0.020 4.330 4.350 -0.000 0.000 0.306 183 T C 0.129 174.817 174.700 -0.021 0.000 1.042 183 T CA -0.046 62.037 62.100 -0.029 0.000 1.145 183 T CB 0.367 69.272 68.868 0.062 0.000 0.982 183 T HN 0.332 nan 8.240 nan 0.000 0.544 184 E N 3.223 123.458 120.200 0.058 0.000 2.290 184 E HA 0.063 4.413 4.350 -0.000 0.000 0.277 184 E C 0.186 176.784 176.600 -0.003 0.000 1.035 184 E CA -0.367 56.025 56.400 -0.013 0.000 0.873 184 E CB 0.419 30.032 29.700 -0.145 0.000 1.029 184 E HN 0.442 nan 8.360 nan 0.000 0.419 185 N N 2.454 121.153 118.700 -0.001 0.000 2.447 185 N HA -0.002 4.738 4.740 -0.000 0.000 0.263 185 N C 0.264 175.784 175.510 0.017 0.000 1.226 185 N CA 0.515 53.574 53.050 0.015 0.000 0.906 185 N CB 0.628 39.124 38.487 0.015 0.000 1.060 185 N HN 0.692 nan 8.380 nan 0.000 0.468 186 S N 0.502 116.224 115.700 0.037 0.000 2.993 186 S HA -0.089 4.381 4.470 -0.000 0.000 0.447 186 S C -0.059 174.591 174.600 0.085 0.000 0.781 186 S CA -0.738 57.496 58.200 0.058 0.000 1.310 186 S CB -0.597 62.651 63.200 0.079 0.000 1.483 186 S HN 0.273 nan 8.310 nan 0.000 0.459 187 L N -0.267 121.027 121.223 0.119 0.000 2.577 187 L HA 0.464 4.803 4.340 -0.000 0.000 0.225 187 L C 1.168 178.156 176.870 0.196 0.000 1.053 187 L CA 0.250 55.180 54.840 0.150 0.000 0.866 187 L CB -0.086 42.048 42.059 0.125 0.000 1.132 187 L HN 0.661 nan 8.230 nan 0.000 0.486 188 F N 1.627 121.593 119.950 0.027 0.000 2.563 188 F HA 0.167 4.694 4.527 -0.000 0.000 0.363 188 F C -0.175 175.587 175.800 -0.062 0.000 1.123 188 F CA 0.210 58.219 58.000 0.016 0.000 1.307 188 F CB 0.224 39.215 39.000 -0.015 0.000 1.115 188 F HN -0.007 nan 8.300 nan 0.000 0.592 189 H N 2.783 121.266 119.070 -0.978 0.000 2.877 189 H HA 0.329 4.885 4.556 -0.000 0.000 0.347 189 H C -0.388 174.349 175.328 -0.985 0.000 1.042 189 H CA -0.378 55.190 56.048 -0.802 0.000 1.276 189 H CB 1.550 31.121 29.762 -0.318 0.000 1.681 189 H HN 0.708 nan 8.280 nan 0.000 0.521 190 S N 1.931 117.224 115.700 -0.679 0.000 2.671 190 S HA 0.169 4.639 4.470 -0.000 0.000 0.272 190 S C 0.994 175.538 174.600 -0.093 0.000 1.174 190 S CA -0.634 57.403 58.200 -0.272 0.000 1.004 190 S CB 0.877 64.065 63.200 -0.020 0.000 1.077 190 S HN 0.671 nan 8.310 nan 0.000 0.553 191 N N -0.105 118.579 118.700 -0.027 0.000 2.250 191 N HA -0.014 4.726 4.740 -0.000 0.000 0.181 191 N C 1.558 177.067 175.510 -0.000 0.000 1.017 191 N CA 0.547 53.590 53.050 -0.012 0.000 0.866 191 N CB -0.920 37.566 38.487 -0.002 0.000 0.985 191 N HN 0.356 nan 8.380 nan 0.000 0.429 192 L N 2.319 123.545 121.223 0.005 0.000 1.971 192 L HA -0.206 4.133 4.340 -0.000 0.000 0.215 192 L C 2.408 179.313 176.870 0.057 0.000 1.072 192 L CA 1.701 56.537 54.840 -0.006 0.000 0.758 192 L CB -1.190 40.864 42.059 -0.007 0.000 0.889 192 L HN 0.225 nan 8.230 nan 0.000 0.433 193 Q N -1.754 118.104 119.800 0.097 0.000 2.112 193 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 193 Q C 1.982 178.111 176.000 0.215 0.000 0.987 193 Q CA 2.133 58.052 55.803 0.193 0.000 0.858 193 Q CB -0.579 28.254 28.738 0.159 0.000 0.905 193 Q HN 0.524 nan 8.270 nan 0.000 0.420 194 T N 0.846 115.474 114.554 0.123 0.000 2.652 194 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 194 T C 1.829 176.512 174.700 -0.029 0.000 1.039 194 T CA 1.284 63.372 62.100 -0.019 0.000 1.153 194 T CB -0.206 68.629 68.868 -0.056 0.000 0.863 194 T HN 0.141 nan 8.240 nan 0.000 0.428 195 Q N 0.897 120.694 119.800 -0.005 0.000 2.061 195 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 195 Q C 2.419 178.434 176.000 0.025 0.000 0.984 195 Q CA 1.425 57.224 55.803 -0.007 0.000 0.846 195 Q CB -0.436 28.293 28.738 -0.016 0.000 0.902 195 Q HN 0.520 nan 8.270 nan 0.000 0.421 196 E N 0.064 120.320 120.200 0.094 0.000 2.058 196 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 196 E C 1.901 178.482 176.600 -0.032 0.000 0.997 196 E CA 1.385 57.939 56.400 0.257 0.000 0.801 196 E CB -0.080 29.884 29.700 0.440 0.000 0.746 196 E HN 0.427 nan 8.360 nan 0.000 0.450 197 E N 1.007 121.071 120.200 -0.226 0.000 2.204 197 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 197 E C 1.731 178.157 176.600 -0.289 0.000 0.989 197 E CA 1.129 57.218 56.400 -0.519 0.000 0.824 197 E CB 0.127 29.670 29.700 -0.260 0.000 0.756 197 E HN 0.320 nan 8.360 nan 0.000 0.477 198 E N 0.092 120.204 120.200 -0.146 0.000 2.072 198 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 198 E C 1.425 177.992 176.600 -0.055 0.000 0.982 198 E CA 1.057 57.402 56.400 -0.093 0.000 0.803 198 E CB -0.138 29.524 29.700 -0.064 0.000 0.755 198 E HN 0.259 nan 8.360 nan 0.000 0.453 199 D N 1.212 121.605 120.400 -0.012 0.000 2.265 199 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 199 D C 1.630 177.997 176.300 0.112 0.000 0.977 199 D CA 1.119 55.152 54.000 0.055 0.000 0.871 199 D CB -0.120 40.738 40.800 0.097 0.000 0.925 199 D HN 0.221 nan 8.370 nan 0.000 0.485 200 A N -0.076 122.765 122.820 0.034 0.000 2.208 200 A HA -0.007 4.313 4.320 -0.000 0.000 0.209 200 A C 0.753 178.329 177.584 -0.013 0.000 1.161 200 A CA 0.079 52.099 52.037 -0.030 0.000 0.782 200 A CB 0.002 18.734 19.000 -0.446 0.000 0.816 200 A HN 0.067 nan 8.150 nan 0.000 0.477 201 N N -0.508 118.185 118.700 -0.013 0.000 2.473 201 N HA 0.294 5.034 4.740 -0.000 0.000 0.291 201 N C -0.701 174.841 175.510 0.054 0.000 1.083 201 N CA -0.360 52.704 53.050 0.023 0.000 0.951 201 N CB 0.860 39.346 38.487 -0.003 0.000 1.164 201 N HN 0.349 nan 8.380 nan 0.000 0.480 202 Y N 1.892 122.177 120.300 -0.025 0.000 2.480 202 Y HA 0.146 4.696 4.550 -0.000 0.000 0.338 202 Y C 0.140 176.031 175.900 -0.014 0.000 1.220 202 Y CA 0.357 58.444 58.100 -0.023 0.000 1.430 202 Y CB 0.597 39.027 38.460 -0.051 0.000 1.311 202 Y HN 0.444 nan 8.280 nan 0.000 0.575 203 R N 7.068 126.989 120.500 -0.964 0.000 3.233 203 R HA 0.181 4.521 4.340 -0.000 0.000 0.301 203 R C -1.693 174.316 176.300 -0.485 0.000 1.018 203 R CA -0.464 55.254 56.100 -0.638 0.000 0.989 203 R CB 0.214 30.364 30.300 -0.250 0.000 1.393 203 R HN 0.833 nan 8.270 nan 0.000 0.370 204 L N 3.851 124.783 121.223 -0.485 0.000 2.492 204 L HA 0.209 4.548 4.340 -0.000 0.000 0.280 204 L C -1.626 175.205 176.870 -0.066 0.000 1.240 204 L CA -1.431 53.310 54.840 -0.165 0.000 0.831 204 L CB -0.083 41.974 42.059 -0.004 0.000 1.100 204 L HN 0.282 nan 8.230 nan 0.000 0.505 205 P HA 0.034 nan 4.420 nan 0.000 0.269 205 P C -0.771 176.535 177.300 0.010 0.000 1.217 205 P CA -0.228 62.897 63.100 0.041 0.000 0.783 205 P CB 0.407 32.180 31.700 0.122 0.000 0.898 206 E N 0.047 120.242 120.200 -0.009 0.000 2.360 206 E HA 0.316 4.666 4.350 -0.000 0.000 0.269 206 E C 1.220 177.793 176.600 -0.045 0.000 1.022 206 E CA 0.948 57.332 56.400 -0.027 0.000 0.887 206 E CB -0.152 29.535 29.700 -0.022 0.000 0.990 206 E HN 0.736 nan 8.360 nan 0.000 0.426 207 G N 3.501 112.268 108.800 -0.055 0.000 2.299 207 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.237 207 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.237 207 G C 0.081 174.906 174.900 -0.124 0.000 1.027 207 G CA -0.205 44.850 45.100 -0.074 0.000 0.619 207 G HN 0.408 nan 8.290 nan 0.000 0.513 208 K N 1.760 122.055 120.400 -0.175 0.000 2.382 208 K HA 0.425 4.745 4.320 -0.000 0.000 0.275 208 K C 0.313 176.803 176.600 -0.183 0.000 1.009 208 K CA 0.323 56.403 56.287 -0.344 0.000 0.970 208 K CB 0.887 33.061 32.500 -0.542 0.000 0.934 208 K HN 0.611 nan 8.250 nan 0.000 0.479 209 E N 0.237 120.319 120.200 -0.197 0.000 2.256 209 E HA 0.369 4.719 4.350 -0.000 0.000 0.267 209 E C -0.921 175.680 176.600 0.003 0.000 0.892 209 E CA -0.939 55.428 56.400 -0.055 0.000 0.775 209 E CB 2.048 31.715 29.700 -0.054 0.000 1.207 209 E HN 0.625 nan 8.360 nan 0.000 0.420 210 A N 0.946 123.820 122.820 0.091 0.000 2.546 210 A HA 0.388 4.708 4.320 -0.000 0.000 0.243 210 A C 1.117 178.732 177.584 0.052 0.000 1.063 210 A CA 1.229 53.343 52.037 0.129 0.000 0.757 210 A CB -0.489 18.600 19.000 0.148 0.000 0.991 210 A HN 0.860 nan 8.150 nan 0.000 0.503 211 G N 1.245 110.078 108.800 0.056 0.000 2.259 211 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 211 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 211 G C 0.257 175.122 174.900 -0.057 0.000 1.001 211 G CA 0.302 45.396 45.100 -0.009 0.000 0.627 211 G HN 1.100 nan 8.290 nan 0.000 0.501 212 E N 0.483 120.651 120.200 -0.053 0.000 2.414 212 E HA 0.427 4.777 4.350 -0.000 0.000 0.263 212 E C -0.438 176.161 176.600 -0.001 0.000 1.000 212 E CA -0.208 56.112 56.400 -0.133 0.000 0.914 212 E CB 0.227 29.739 29.700 -0.313 0.000 0.948 212 E HN 0.248 nan 8.360 nan 0.000 0.444 213 I N 4.037 124.539 120.570 -0.112 0.000 2.389 213 I HA 0.198 4.367 4.170 -0.000 0.000 0.288 213 I C -0.298 175.875 176.117 0.093 0.000 0.999 213 I CA -0.126 61.178 61.300 0.008 0.000 1.129 213 I CB 1.773 39.765 38.000 -0.012 0.000 1.288 213 I HN 0.516 nan 8.210 nan 0.000 0.444 214 E N 4.067 124.351 120.200 0.139 0.000 2.199 214 E HA 0.484 4.834 4.350 -0.000 0.000 0.269 214 E C -1.183 175.425 176.600 0.015 0.000 0.899 214 E CA -0.574 55.889 56.400 0.105 0.000 0.772 214 E CB 1.407 31.224 29.700 0.195 0.000 1.155 214 E HN 0.470 nan 8.360 nan 0.000 0.408 215 T N 3.359 117.881 114.554 -0.054 0.000 2.738 215 T HA 0.289 4.639 4.350 -0.000 0.000 0.298 215 T C -0.684 173.804 174.700 -0.353 0.000 0.962 215 T CA -0.427 61.559 62.100 -0.191 0.000 0.972 215 T CB 0.618 69.363 68.868 -0.206 0.000 0.928 215 T HN 0.202 nan 8.240 nan 0.000 0.474 216 V N 5.661 125.386 119.914 -0.314 0.000 2.334 216 V HA 0.269 4.389 4.120 -0.000 0.000 0.281 216 V C -0.017 175.868 176.094 -0.347 0.000 1.016 216 V CA -1.038 61.078 62.300 -0.307 0.000 0.832 216 V CB 0.626 32.376 31.823 -0.122 0.000 0.999 216 V HN 0.794 nan 8.190 nan 0.000 0.439 217 H N 3.196 122.087 119.070 -0.298 0.000 2.800 217 H HA 0.374 4.930 4.556 -0.000 0.000 0.291 217 H C -0.317 175.042 175.328 0.051 0.000 1.076 217 H CA -0.239 55.663 56.048 -0.243 0.000 1.452 217 H CB 1.157 30.506 29.762 -0.689 0.000 1.461 217 H HN 0.649 nan 8.280 nan 0.000 0.488 218 C N 3.272 122.734 119.300 0.270 0.000 2.561 218 C HA 0.243 4.703 4.460 -0.000 0.000 0.319 218 C C 1.763 176.873 174.990 0.199 0.000 1.198 218 C CA -0.980 58.209 59.018 0.285 0.000 1.665 218 C CB 2.160 29.988 27.740 0.147 0.000 2.258 218 C HN 0.800 nan 8.230 nan 0.000 0.493 219 K N 0.348 120.801 120.400 0.088 0.000 2.062 219 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 219 K C -0.513 175.756 176.600 -0.552 0.000 1.051 219 K CA 1.516 57.620 56.287 -0.304 0.000 0.941 219 K CB 0.052 32.371 32.500 -0.302 0.000 0.719 219 K HN 0.656 nan 8.250 nan 0.000 0.440 220 Y N -0.817 119.524 120.300 0.068 0.000 2.524 220 Y HA 0.368 4.918 4.550 -0.000 0.000 0.347 220 Y C -0.627 175.330 175.900 0.093 0.000 1.005 220 Y CA -1.131 57.019 58.100 0.084 0.000 1.025 220 Y CB 2.130 40.656 38.460 0.109 0.000 1.275 220 Y HN -0.395 nan 8.280 nan 0.000 0.460 221 V N 4.144 124.211 119.914 0.255 0.000 2.638 221 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 221 V C -0.770 175.452 176.094 0.213 0.000 1.052 221 V CA -0.848 61.561 62.300 0.182 0.000 0.885 221 V CB 2.049 33.944 31.823 0.120 0.000 0.999 221 V HN 0.558 nan 8.190 nan 0.000 0.424 222 I N 3.592 124.259 120.570 0.162 0.000 2.382 222 I HA 0.516 4.686 4.170 -0.000 0.000 0.285 222 I C 0.787 176.967 176.117 0.105 0.000 1.007 222 I CA -0.377 61.010 61.300 0.146 0.000 1.142 222 I CB 1.805 39.843 38.000 0.064 0.000 1.289 222 I HN 0.730 nan 8.210 nan 0.000 0.453 223 G N 4.809 113.677 108.800 0.113 0.000 2.356 223 G HA2 0.354 4.313 3.960 -0.000 0.000 0.300 223 G HA3 0.354 4.313 3.960 -0.000 0.000 0.300 223 G C -0.029 174.906 174.900 0.059 0.000 1.107 223 G CA -0.172 44.984 45.100 0.095 0.000 0.960 223 G HN 0.805 nan 8.290 nan 0.000 0.418 224 C N 3.042 122.371 119.300 0.047 0.000 2.778 224 C HA 0.215 4.675 4.460 -0.000 0.000 0.252 224 C C 0.766 175.772 174.990 0.027 0.000 1.693 224 C CA -1.083 57.951 59.018 0.026 0.000 1.724 224 C CB -0.504 27.249 27.740 0.022 0.000 3.153 224 C HN 0.813 nan 8.230 nan 0.000 0.493 225 D N 0.261 120.687 120.400 0.044 0.000 2.561 225 D HA 0.368 5.007 4.640 -0.000 0.000 0.232 225 D C 0.970 177.304 176.300 0.055 0.000 1.198 225 D CA 0.542 54.576 54.000 0.056 0.000 0.826 225 D CB 0.026 40.880 40.800 0.090 0.000 0.992 225 D HN 0.565 nan 8.370 nan 0.000 0.490 226 G N -0.309 108.503 108.800 0.019 0.000 2.741 226 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.222 226 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.222 226 G C 0.951 175.828 174.900 -0.039 0.000 1.364 226 G CA -0.138 44.957 45.100 -0.008 0.000 0.866 226 G HN 0.490 nan 8.290 nan 0.000 0.555 227 G N -1.697 107.035 108.800 -0.114 0.000 2.475 227 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.220 227 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.220 227 G C 1.129 175.875 174.900 -0.256 0.000 1.125 227 G CA 1.836 46.802 45.100 -0.223 0.000 0.755 227 G HN 0.866 nan 8.290 nan 0.000 0.565 228 H N -0.282 118.818 119.070 0.050 0.000 2.549 228 H HA 0.256 4.812 4.556 -0.000 0.000 0.279 228 H C 1.225 176.602 175.328 0.081 0.000 1.018 228 H CA -0.042 56.044 56.048 0.065 0.000 1.175 228 H CB -0.063 29.743 29.762 0.074 0.000 1.485 228 H HN 0.243 nan 8.280 nan 0.000 0.543 229 S N 1.008 116.796 115.700 0.147 0.000 4.273 229 S HA -0.227 4.243 4.470 -0.000 0.000 0.512 229 S C 1.224 175.936 174.600 0.186 0.000 1.063 229 S CA 0.238 58.525 58.200 0.145 0.000 0.904 229 S CB -0.184 63.060 63.200 0.072 0.000 0.778 229 S HN 0.668 nan 8.310 nan 0.000 0.467 230 W N 5.885 127.200 121.300 0.025 0.000 2.418 230 W HA -0.057 4.603 4.660 -0.000 0.000 0.292 230 W C 1.656 178.162 176.519 -0.022 0.000 1.213 230 W CA 1.223 58.572 57.345 0.006 0.000 1.283 230 W CB -0.406 29.056 29.460 0.003 0.000 1.119 230 W HN 0.583 nan 8.180 nan 0.000 0.542 231 V N 2.025 122.116 119.914 0.295 0.000 2.255 231 V HA -0.362 3.758 4.120 -0.000 0.000 0.247 231 V C 2.679 178.656 176.094 -0.195 0.000 1.051 231 V CA 2.502 64.823 62.300 0.034 0.000 1.018 231 V CB -1.125 30.784 31.823 0.143 0.000 0.641 231 V HN 0.314 nan 8.190 nan 0.000 0.445 232 R N 0.069 120.508 120.500 -0.102 0.000 2.092 232 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 232 R C 2.463 178.647 176.300 -0.193 0.000 1.119 232 R CA 1.562 57.587 56.100 -0.126 0.000 0.970 232 R CB -0.223 30.089 30.300 0.020 0.000 0.864 232 R HN 0.428 nan 8.270 nan 0.000 0.440 233 R N -0.453 119.945 120.500 -0.171 0.000 2.092 233 R HA -0.039 4.300 4.340 -0.000 0.000 0.231 233 R C 2.125 178.221 176.300 -0.340 0.000 1.119 233 R CA 1.893 57.881 56.100 -0.187 0.000 0.970 233 R CB -0.207 30.020 30.300 -0.122 0.000 0.864 233 R HN 0.265 nan 8.270 nan 0.000 0.440 234 T N 1.375 115.593 114.554 -0.559 0.000 2.904 234 T HA 0.013 4.363 4.350 -0.000 0.000 0.267 234 T C 1.746 176.156 174.700 -0.485 0.000 1.059 234 T CA 0.723 62.427 62.100 -0.660 0.000 1.137 234 T CB 0.036 68.211 68.868 -1.155 0.000 0.879 234 T HN 0.134 nan 8.240 nan 0.000 0.467 235 L N 0.402 121.309 121.223 -0.527 0.000 2.376 235 L HA 0.152 4.492 4.340 -0.000 0.000 0.219 235 L C 1.944 178.467 176.870 -0.578 0.000 1.133 235 L CA 0.632 55.062 54.840 -0.684 0.000 0.816 235 L CB -0.603 40.746 42.059 -1.184 0.000 0.933 235 L HN 0.504 nan 8.230 nan 0.000 0.449 236 G N -0.336 108.261 108.800 -0.340 0.000 2.147 236 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.244 236 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.244 236 G C -0.045 174.930 174.900 0.126 0.000 1.005 236 G CA -0.465 44.573 45.100 -0.104 0.000 0.713 236 G HN 0.092 nan 8.290 nan 0.000 0.515 237 F N 1.461 121.396 119.950 -0.026 0.000 2.424 237 F HA 0.424 4.951 4.527 -0.000 0.000 0.356 237 F C 0.995 176.803 175.800 0.015 0.000 1.110 237 F CA -1.569 56.432 58.000 0.003 0.000 1.161 237 F CB 0.799 39.811 39.000 0.020 0.000 1.115 237 F HN 0.157 nan 8.300 nan 0.000 0.507 238 E N 3.228 123.547 120.200 0.198 0.000 2.290 238 E HA 0.124 4.474 4.350 -0.000 0.000 0.277 238 E C -0.257 176.415 176.600 0.121 0.000 1.035 238 E CA -0.445 56.028 56.400 0.122 0.000 0.873 238 E CB 0.710 30.459 29.700 0.083 0.000 1.029 238 E HN 0.309 nan 8.360 nan 0.000 0.419 239 M N 4.656 124.323 119.600 0.112 0.000 2.135 239 M HA 0.201 4.681 4.480 -0.000 0.000 0.345 239 M C -0.564 175.795 176.300 0.099 0.000 1.340 239 M CA -0.485 54.883 55.300 0.113 0.000 1.162 239 M CB 0.003 32.662 32.600 0.100 0.000 1.570 239 M HN 0.316 nan 8.290 nan 0.000 0.454 240 I N 2.875 123.507 120.570 0.103 0.000 2.371 240 I HA 0.680 4.850 4.170 -0.000 0.000 0.290 240 I C 0.853 177.026 176.117 0.092 0.000 1.028 240 I CA 0.064 61.416 61.300 0.086 0.000 1.345 240 I CB 0.304 38.350 38.000 0.078 0.000 1.407 240 I HN 0.784 nan 8.210 nan 0.000 0.501 241 G N 6.480 115.330 108.800 0.084 0.000 2.353 241 G HA2 0.131 4.090 3.960 -0.000 0.000 0.308 241 G HA3 0.131 4.090 3.960 -0.000 0.000 0.308 241 G C -1.463 173.490 174.900 0.090 0.000 1.418 241 G CA -0.921 44.238 45.100 0.098 0.000 0.966 241 G HN 0.540 nan 8.290 nan 0.000 0.638 242 E N -0.213 120.050 120.200 0.104 0.000 2.207 242 E HA 0.558 4.908 4.350 -0.000 0.000 0.270 242 E C -0.686 175.951 176.600 0.063 0.000 0.927 242 E CA -0.863 55.583 56.400 0.077 0.000 0.799 242 E CB 2.456 32.204 29.700 0.080 0.000 1.172 242 E HN 0.456 nan 8.360 nan 0.000 0.404 243 Q N 1.794 121.614 119.800 0.033 0.000 2.314 243 Q HA 0.173 4.513 4.340 -0.000 0.000 0.259 243 Q C -0.086 175.917 176.000 0.005 0.000 0.951 243 Q CA -0.404 55.414 55.803 0.025 0.000 0.909 243 Q CB 1.523 30.259 28.738 -0.004 0.000 1.236 243 Q HN 0.701 nan 8.270 nan 0.000 0.444 244 T N -0.522 114.049 114.554 0.028 0.000 2.689 244 T HA 0.081 4.431 4.350 -0.000 0.000 0.308 244 T C 0.433 175.128 174.700 -0.009 0.000 1.021 244 T CA -0.322 61.764 62.100 -0.024 0.000 0.973 244 T CB 0.497 69.347 68.868 -0.030 0.000 1.113 244 T HN 0.433 nan 8.240 nan 0.000 0.522 245 D N -1.010 119.314 120.400 -0.126 0.000 2.349 245 D HA 0.144 4.784 4.640 -0.000 0.000 0.214 245 D C -0.361 175.953 176.300 0.024 0.000 1.063 245 D CA 0.089 54.065 54.000 -0.040 0.000 0.847 245 D CB -0.238 40.493 40.800 -0.115 0.000 0.933 245 D HN 0.485 nan 8.370 nan 0.000 0.513 246 Y N 0.934 121.309 120.300 0.125 0.000 2.544 246 Y HA 0.178 4.728 4.550 -0.000 0.000 0.330 246 Y C 0.639 176.583 175.900 0.073 0.000 1.136 246 Y CA -0.553 57.602 58.100 0.093 0.000 1.417 246 Y CB 0.139 38.698 38.460 0.166 0.000 1.229 246 Y HN -0.121 nan 8.280 nan 0.000 0.532 247 I N 3.464 124.061 120.570 0.045 0.000 2.498 247 I HA 0.579 4.749 4.170 -0.000 0.000 0.290 247 I C -1.843 174.044 176.117 -0.383 0.000 1.032 247 I CA -0.736 60.402 61.300 -0.271 0.000 1.073 247 I CB 0.960 38.647 38.000 -0.521 0.000 1.251 247 I HN 0.459 nan 8.210 nan 0.000 0.426 248 W N 4.662 125.497 121.300 -0.775 0.000 2.799 248 W HA 0.824 5.484 4.660 -0.000 0.000 0.349 248 W C 0.123 176.194 176.519 -0.746 0.000 1.100 248 W CA -0.747 56.156 57.345 -0.736 0.000 1.174 248 W CB 2.046 31.050 29.460 -0.759 0.000 1.427 248 W HN 0.695 nan 8.180 nan 0.000 0.547 249 G N 0.302 108.984 108.800 -0.196 0.000 2.453 249 G HA2 0.689 4.649 3.960 -0.000 0.000 0.323 249 G HA3 0.689 4.649 3.960 -0.000 0.000 0.323 249 G C -1.990 172.919 174.900 0.015 0.000 1.198 249 G CA -0.797 44.217 45.100 -0.143 0.000 0.959 249 G HN 0.276 nan 8.290 nan 0.000 0.482 250 V N 1.182 121.051 119.914 -0.076 0.000 2.540 250 V HA 0.555 4.675 4.120 -0.000 0.000 0.302 250 V C -0.366 175.694 176.094 -0.056 0.000 1.035 250 V CA -0.604 61.636 62.300 -0.099 0.000 0.873 250 V CB 1.527 33.256 31.823 -0.157 0.000 0.992 250 V HN 0.595 nan 8.190 nan 0.000 0.428 251 L N 3.611 124.891 121.223 0.096 0.000 2.381 251 L HA 0.614 4.954 4.340 -0.000 0.000 0.274 251 L C -1.176 175.850 176.870 0.260 0.000 0.988 251 L CA -0.552 54.409 54.840 0.201 0.000 0.824 251 L CB 2.164 44.405 42.059 0.304 0.000 1.263 251 L HN 0.511 nan 8.230 nan 0.000 0.410 252 D N 3.438 123.973 120.400 0.224 0.000 2.427 252 D HA 0.679 5.319 4.640 -0.000 0.000 0.226 252 D C -0.437 175.984 176.300 0.201 0.000 1.076 252 D CA 0.186 54.321 54.000 0.225 0.000 0.849 252 D CB 1.899 42.840 40.800 0.236 0.000 1.052 252 D HN 0.608 nan 8.370 nan 0.000 0.515 253 A N 1.509 124.485 122.820 0.260 0.000 2.594 253 A HA 0.623 4.943 4.320 -0.000 0.000 0.291 253 A C -1.086 176.625 177.584 0.211 0.000 1.105 253 A CA -0.688 51.480 52.037 0.219 0.000 0.694 253 A CB 1.390 20.534 19.000 0.240 0.000 1.291 253 A HN 0.204 nan 8.150 nan 0.000 0.410 254 V N 3.426 123.416 119.914 0.126 0.000 2.320 254 V HA 0.348 4.468 4.120 -0.000 0.000 0.265 254 V C -1.992 174.137 176.094 0.057 0.000 1.048 254 V CA -1.114 61.245 62.300 0.098 0.000 0.865 254 V CB 0.601 32.458 31.823 0.057 0.000 1.043 254 V HN 0.758 nan 8.190 nan 0.000 0.474 255 P HA 0.388 nan 4.420 nan 0.000 0.274 255 P C -0.749 176.502 177.300 -0.081 0.000 1.246 255 P CA -0.516 62.571 63.100 -0.022 0.000 0.795 255 P CB 1.589 33.434 31.700 0.242 0.000 1.006 256 A N 0.587 123.281 122.820 -0.210 0.000 2.702 256 A HA 0.552 4.872 4.320 -0.000 0.000 0.305 256 A C -0.283 177.198 177.584 -0.171 0.000 1.213 256 A CA -0.398 51.551 52.037 -0.146 0.000 0.745 256 A CB 0.188 19.103 19.000 -0.141 0.000 1.161 256 A HN 0.499 nan 8.150 nan 0.000 0.445 257 S N 1.041 116.691 115.700 -0.083 0.000 2.588 257 S HA 0.532 5.002 4.470 -0.000 0.000 0.275 257 S C 0.181 174.797 174.600 0.026 0.000 1.130 257 S CA -0.192 57.973 58.200 -0.058 0.000 0.855 257 S CB 1.108 64.261 63.200 -0.078 0.000 1.116 257 S HN 0.823 nan 8.310 nan 0.000 0.472 258 N N 1.751 120.498 118.700 0.078 0.000 2.230 258 N HA 0.096 4.836 4.740 -0.000 0.000 0.202 258 N C -0.184 175.405 175.510 0.131 0.000 1.119 258 N CA -0.301 52.822 53.050 0.123 0.000 0.851 258 N CB -0.399 38.181 38.487 0.156 0.000 0.990 258 N HN 0.429 nan 8.380 nan 0.000 0.497 259 F N 2.831 122.721 119.950 -0.100 0.000 2.590 259 F HA 0.187 4.714 4.527 -0.000 0.000 0.389 259 F C -1.301 174.381 175.800 -0.197 0.000 1.049 259 F CA -1.808 55.995 58.000 -0.327 0.000 1.199 259 F CB 0.853 39.685 39.000 -0.281 0.000 1.058 259 F HN -0.055 nan 8.300 nan 0.000 0.556 260 P HA -0.119 nan 4.420 nan 0.000 0.219 260 P C 0.103 177.244 177.300 -0.265 0.000 1.150 260 P CA 1.380 64.255 63.100 -0.376 0.000 0.814 260 P CB 0.245 31.751 31.700 -0.322 0.000 0.787 261 D N -1.060 119.081 120.400 -0.432 0.000 2.738 261 D HA 0.119 4.759 4.640 -0.000 0.000 0.246 261 D C 1.182 177.653 176.300 0.286 0.000 1.270 261 D CA -0.245 53.748 54.000 -0.013 0.000 0.833 261 D CB 0.047 40.902 40.800 0.091 0.000 1.040 261 D HN 0.043 nan 8.370 nan 0.000 0.487 262 I N 0.738 121.508 120.570 0.334 0.000 2.454 262 I HA -0.180 3.990 4.170 -0.000 0.000 0.254 262 I C 1.727 177.987 176.117 0.239 0.000 1.156 262 I CA 1.227 62.767 61.300 0.400 0.000 1.433 262 I CB 0.213 38.410 38.000 0.329 0.000 1.082 262 I HN -0.167 nan 8.210 nan 0.000 0.432 263 R N -0.374 120.224 120.500 0.163 0.000 2.427 263 R HA 0.311 4.651 4.340 -0.000 0.000 0.262 263 R C 0.470 176.832 176.300 0.103 0.000 0.943 263 R CA 0.062 56.230 56.100 0.112 0.000 1.081 263 R CB -0.171 30.181 30.300 0.087 0.000 1.166 263 R HN 0.251 nan 8.270 nan 0.000 0.534 264 S N 0.295 116.075 115.700 0.133 0.000 2.621 264 S HA 0.410 4.880 4.470 -0.000 0.000 0.302 264 S C -0.157 174.529 174.600 0.143 0.000 1.093 264 S CA -0.728 57.547 58.200 0.125 0.000 1.017 264 S CB 1.846 65.128 63.200 0.138 0.000 1.077 264 S HN 0.238 nan 8.310 nan 0.000 0.517 265 R N 1.556 122.132 120.500 0.126 0.000 2.537 265 R HA 0.434 4.774 4.340 -0.000 0.000 0.280 265 R C -1.181 175.240 176.300 0.203 0.000 1.058 265 R CA 0.100 56.294 56.100 0.156 0.000 1.057 265 R CB -0.309 30.078 30.300 0.145 0.000 0.973 265 R HN 0.705 nan 8.270 nan 0.000 0.438 266 C N 2.551 122.009 119.300 0.264 0.000 2.994 266 C HA 0.742 5.202 4.460 -0.000 0.000 0.305 266 C C -0.715 174.527 174.990 0.419 0.000 1.251 266 C CA -0.908 58.305 59.018 0.325 0.000 1.478 266 C CB 1.784 29.721 27.740 0.328 0.000 1.922 266 C HN 0.899 nan 8.230 nan 0.000 0.472 267 A N 1.940 125.044 122.820 0.472 0.000 2.304 267 A HA 0.881 5.201 4.320 -0.000 0.000 0.314 267 A C -0.978 176.831 177.584 0.375 0.000 1.187 267 A CA -0.277 52.086 52.037 0.544 0.000 0.810 267 A CB 0.317 19.734 19.000 0.695 0.000 1.183 267 A HN 0.796 nan 8.150 nan 0.000 0.487 268 I N 2.468 123.155 120.570 0.196 0.000 2.410 268 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 268 I C -0.870 175.205 176.117 -0.070 0.000 1.009 268 I CA -0.456 60.889 61.300 0.076 0.000 1.111 268 I CB 1.649 39.543 38.000 -0.177 0.000 1.262 268 I HN 0.698 nan 8.210 nan 0.000 0.443 269 H N 3.744 122.819 119.070 0.008 0.000 2.581 269 H HA 0.331 4.887 4.556 -0.000 0.000 0.308 269 H C 0.126 175.435 175.328 -0.032 0.000 1.040 269 H CA -0.219 55.783 56.048 -0.076 0.000 1.231 269 H CB 1.295 30.973 29.762 -0.139 0.000 1.396 269 H HN 0.611 nan 8.280 nan 0.000 0.467 270 S N 2.148 117.857 115.700 0.015 0.000 2.632 270 S HA 0.455 4.925 4.470 -0.000 0.000 0.271 270 S C 1.568 176.185 174.600 0.029 0.000 1.260 270 S CA -0.330 57.880 58.200 0.017 0.000 1.010 270 S CB 1.683 64.852 63.200 -0.052 0.000 0.965 270 S HN 0.701 nan 8.310 nan 0.000 0.534 271 A N 1.501 124.347 122.820 0.044 0.000 1.873 271 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 271 A C 1.737 179.327 177.584 0.009 0.000 1.193 271 A CA 1.696 53.755 52.037 0.036 0.000 0.629 271 A CB -0.582 18.450 19.000 0.052 0.000 0.826 271 A HN 0.945 nan 8.150 nan 0.000 0.447 272 E N -1.922 118.273 120.200 -0.009 0.000 2.712 272 E HA 0.142 4.492 4.350 -0.000 0.000 0.221 272 E C 0.684 177.251 176.600 -0.055 0.000 0.943 272 E CA 0.534 56.919 56.400 -0.025 0.000 1.259 272 E CB 0.057 29.747 29.700 -0.016 0.000 1.167 272 E HN 0.413 nan 8.360 nan 0.000 0.569 273 S N 0.681 116.334 115.700 -0.079 0.000 2.540 273 S HA 0.446 4.916 4.470 -0.000 0.000 0.218 273 S C 0.874 175.358 174.600 -0.193 0.000 0.977 273 S CA 0.332 58.460 58.200 -0.120 0.000 0.918 273 S CB 0.983 64.114 63.200 -0.114 0.000 0.806 273 S HN 0.562 nan 8.310 nan 0.000 0.496 274 G N 1.004 109.679 108.800 -0.209 0.000 2.498 274 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.651 274 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.651 274 G C -0.696 173.984 174.900 -0.368 0.000 1.284 274 G CA -0.811 44.088 45.100 -0.335 0.000 0.950 274 G HN 0.224 nan 8.290 nan 0.000 0.511 275 S N -1.039 114.345 115.700 -0.526 0.000 2.681 275 S HA 0.854 5.324 4.470 -0.000 0.000 0.299 275 S C 0.085 174.431 174.600 -0.422 0.000 1.113 275 S CA -0.479 57.465 58.200 -0.427 0.000 1.013 275 S CB 1.466 64.490 63.200 -0.294 0.000 1.076 275 S HN 0.662 nan 8.310 nan 0.000 0.534 276 I N 1.583 122.047 120.570 -0.176 0.000 2.730 276 I HA 0.461 4.631 4.170 -0.000 0.000 0.298 276 I C -0.898 175.338 176.117 0.199 0.000 1.089 276 I CA -0.450 60.805 61.300 -0.074 0.000 1.041 276 I CB 1.990 39.761 38.000 -0.382 0.000 1.235 276 I HN 0.425 nan 8.210 nan 0.000 0.423 277 M N 6.755 126.515 119.600 0.267 0.000 2.197 277 M HA 0.549 5.028 4.480 -0.000 0.000 0.301 277 M C -1.569 174.893 176.300 0.269 0.000 0.987 277 M CA -0.512 54.948 55.300 0.266 0.000 0.921 277 M CB 1.423 34.027 32.600 0.007 0.000 1.569 277 M HN 0.386 nan 8.290 nan 0.000 0.431 278 I N 5.770 126.465 120.570 0.207 0.000 2.331 278 I HA 0.330 4.500 4.170 -0.000 0.000 0.292 278 I C -0.502 175.664 176.117 0.081 0.000 0.998 278 I CA -0.635 60.701 61.300 0.060 0.000 1.267 278 I CB 1.195 39.249 38.000 0.090 0.000 1.386 278 I HN 0.563 nan 8.210 nan 0.000 0.476 279 I N 8.748 129.318 120.570 -0.001 0.000 2.464 279 I HA 0.274 4.444 4.170 -0.000 0.000 0.277 279 I C -2.284 173.823 176.117 -0.017 0.000 1.040 279 I CA -2.360 58.981 61.300 0.069 0.000 1.153 279 I CB 1.297 39.407 38.000 0.183 0.000 1.274 279 I HN 0.220 nan 8.210 nan 0.000 0.469 280 P HA 0.260 nan 4.420 nan 0.000 0.276 280 P C -0.231 177.088 177.300 0.032 0.000 1.243 280 P CA -0.267 62.836 63.100 0.005 0.000 0.768 280 P CB 1.442 33.167 31.700 0.041 0.000 0.856 281 R N 1.739 122.258 120.500 0.031 0.000 2.944 281 R HA 0.302 4.642 4.340 -0.000 0.000 0.233 281 R C 0.859 177.192 176.300 0.055 0.000 1.346 281 R CA -0.763 55.367 56.100 0.049 0.000 1.082 281 R CB 0.630 30.964 30.300 0.057 0.000 1.434 281 R HN 0.546 nan 8.270 nan 0.000 0.510 282 E N 0.705 120.941 120.200 0.060 0.000 2.409 282 E HA -0.063 4.287 4.350 -0.000 0.000 0.257 282 E C -0.506 176.134 176.600 0.067 0.000 1.150 282 E CA -0.118 56.317 56.400 0.058 0.000 0.942 282 E CB 0.057 29.790 29.700 0.055 0.000 0.979 282 E HN 0.566 nan 8.360 nan 0.000 0.447 283 N N 2.209 120.945 118.700 0.060 0.000 2.707 283 N HA -0.267 4.473 4.740 -0.000 0.000 0.253 283 N C -0.608 174.939 175.510 0.063 0.000 0.998 283 N CA 0.569 53.656 53.050 0.061 0.000 0.751 283 N CB -0.807 37.722 38.487 0.070 0.000 0.920 283 N HN 0.587 nan 8.380 nan 0.000 0.539 284 N N -2.606 116.130 118.700 0.061 0.000 2.972 284 N HA -0.179 4.560 4.740 -0.000 0.000 0.225 284 N C -0.087 175.469 175.510 0.078 0.000 0.883 284 N CA 1.125 54.213 53.050 0.064 0.000 1.010 284 N CB -0.830 37.690 38.487 0.056 0.000 1.052 284 N HN 0.401 nan 8.380 nan 0.000 0.598 285 L N 1.063 122.334 121.223 0.081 0.000 2.453 285 L HA 0.477 4.817 4.340 -0.000 0.000 0.261 285 L C 0.660 177.574 176.870 0.072 0.000 1.179 285 L CA -0.204 54.692 54.840 0.093 0.000 0.813 285 L CB 0.974 43.090 42.059 0.096 0.000 1.110 285 L HN -0.176 nan 8.230 nan 0.000 0.466 286 V N 1.460 121.415 119.914 0.068 0.000 2.733 286 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 286 V C -0.453 175.528 176.094 -0.188 0.000 1.084 286 V CA -0.730 61.513 62.300 -0.095 0.000 0.905 286 V CB 1.956 33.672 31.823 -0.179 0.000 1.010 286 V HN 0.707 nan 8.190 nan 0.000 0.424 287 R N 3.595 123.950 120.500 -0.243 0.000 2.265 287 R HA 0.622 4.962 4.340 -0.000 0.000 0.319 287 R C -1.777 174.309 176.300 -0.357 0.000 1.006 287 R CA -0.265 55.739 56.100 -0.161 0.000 0.880 287 R CB 0.740 31.000 30.300 -0.067 0.000 1.077 287 R HN 0.514 nan 8.270 nan 0.000 0.454 288 F N 4.636 124.614 119.950 0.047 0.000 2.427 288 F HA 0.328 4.855 4.527 -0.000 0.000 0.348 288 F C -0.876 174.912 175.800 -0.019 0.000 1.125 288 F CA -0.672 57.367 58.000 0.065 0.000 0.989 288 F CB 1.227 40.279 39.000 0.086 0.000 1.165 288 F HN 0.440 nan 8.300 nan 0.000 0.442 289 Y N 2.952 123.395 120.300 0.239 0.000 2.404 289 Y HA 0.514 5.064 4.550 -0.000 0.000 0.344 289 Y C -0.218 175.877 175.900 0.324 0.000 0.970 289 Y CA -0.870 57.390 58.100 0.267 0.000 1.180 289 Y CB 1.022 39.561 38.460 0.133 0.000 1.138 289 Y HN 0.209 nan 8.280 nan 0.000 0.510 290 V N 4.358 124.453 119.914 0.303 0.000 2.378 290 V HA 0.236 4.356 4.120 -0.000 0.000 0.288 290 V C -0.112 175.766 176.094 -0.361 0.000 1.016 290 V CA -1.216 61.047 62.300 -0.062 0.000 0.840 290 V CB 1.343 33.086 31.823 -0.133 0.000 0.994 290 V HN 0.675 nan 8.190 nan 0.000 0.431 291 Q N 3.992 123.195 119.800 -0.996 0.000 2.337 291 Q HA 0.463 4.803 4.340 -0.000 0.000 0.270 291 Q C -0.954 174.584 176.000 -0.770 0.000 1.002 291 Q CA -0.016 54.893 55.803 -1.490 0.000 0.888 291 Q CB 0.785 28.417 28.738 -1.843 0.000 1.222 291 Q HN 0.692 nan 8.270 nan 0.000 0.400 292 L N 2.521 123.337 121.223 -0.679 0.000 2.347 292 L HA 0.569 4.909 4.340 -0.000 0.000 0.268 292 L C -0.144 176.518 176.870 -0.346 0.000 1.019 292 L CA -1.103 53.447 54.840 -0.482 0.000 0.806 292 L CB 1.255 42.931 42.059 -0.639 0.000 1.339 292 L HN 0.891 nan 8.230 nan 0.000 0.463 308 T N -0.731 113.997 114.554 0.290 0.000 2.942 308 T HA 0.569 4.919 4.350 -0.000 0.000 0.289 308 T C -2.466 172.155 174.700 -0.132 0.000 1.044 308 T CA -2.391 59.708 62.100 -0.002 0.000 1.023 308 T CB 2.561 71.396 68.868 -0.056 0.000 1.123 308 T HN 0.186 nan 8.240 nan 0.000 0.512 309 P HA -0.138 nan 4.420 nan 0.000 0.215 309 P C 1.238 178.483 177.300 -0.091 0.000 1.163 309 P CA 1.300 64.184 63.100 -0.360 0.000 0.894 309 P CB 0.048 31.508 31.700 -0.399 0.000 0.791 310 E N -0.597 119.554 120.200 -0.083 0.000 2.070 310 E HA -0.150 4.199 4.350 -0.000 0.000 0.197 310 E C 2.074 178.683 176.600 0.016 0.000 1.004 310 E CA 1.160 57.545 56.400 -0.026 0.000 0.805 310 E CB -1.412 28.268 29.700 -0.033 0.000 0.744 310 E HN 0.011 nan 8.360 nan 0.000 0.451 311 V N 0.159 120.099 119.914 0.044 0.000 2.343 311 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 311 V C 2.209 178.349 176.094 0.078 0.000 1.051 311 V CA 1.475 63.829 62.300 0.089 0.000 1.036 311 V CB -0.401 31.534 31.823 0.186 0.000 0.654 311 V HN 0.147 nan 8.190 nan 0.000 0.451 312 V N -0.209 119.763 119.914 0.097 0.000 2.427 312 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 312 V C 2.157 178.270 176.094 0.033 0.000 1.051 312 V CA 2.029 64.365 62.300 0.060 0.000 1.048 312 V CB -0.505 31.406 31.823 0.147 0.000 0.666 312 V HN 0.444 nan 8.190 nan 0.000 0.456 313 I N 0.490 121.102 120.570 0.070 0.000 2.252 313 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 313 I C 2.684 178.854 176.117 0.089 0.000 1.102 313 I CA 1.401 62.777 61.300 0.126 0.000 1.385 313 I CB -0.571 37.499 38.000 0.116 0.000 1.064 313 I HN 0.288 nan 8.210 nan 0.000 0.414 314 A N 0.813 123.660 122.820 0.045 0.000 1.902 314 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 314 A C 2.041 179.622 177.584 -0.005 0.000 1.181 314 A CA 2.380 54.432 52.037 0.026 0.000 0.623 314 A CB -1.016 17.993 19.000 0.014 0.000 0.818 314 A HN 0.457 nan 8.150 nan 0.000 0.443 315 N N -0.393 118.284 118.700 -0.039 0.000 2.188 315 N HA -0.030 4.710 4.740 -0.000 0.000 0.184 315 N C 1.820 177.240 175.510 -0.149 0.000 1.018 315 N CA 1.143 54.132 53.050 -0.102 0.000 0.858 315 N CB -0.210 38.191 38.487 -0.143 0.000 0.989 315 N HN 0.475 nan 8.380 nan 0.000 0.426 316 A N 0.860 123.586 122.820 -0.156 0.000 1.930 316 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 316 A C 1.977 179.510 177.584 -0.086 0.000 1.175 316 A CA 1.234 53.097 52.037 -0.289 0.000 0.627 316 A CB -0.272 18.386 19.000 -0.571 0.000 0.815 316 A HN 0.184 nan 8.150 nan 0.000 0.443 317 K N -0.157 120.283 120.400 0.067 0.000 2.063 317 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 317 K C 2.113 178.780 176.600 0.112 0.000 1.048 317 K CA 1.510 57.898 56.287 0.169 0.000 0.928 317 K CB -0.121 32.465 32.500 0.144 0.000 0.713 317 K HN 0.335 nan 8.250 nan 0.000 0.442 318 K N 0.671 121.078 120.400 0.012 0.000 2.026 318 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 318 K C 2.109 178.698 176.600 -0.018 0.000 1.048 318 K CA 1.267 57.541 56.287 -0.023 0.000 0.929 318 K CB -0.159 32.299 32.500 -0.070 0.000 0.713 318 K HN 0.160 nan 8.250 nan 0.000 0.439 319 I N -0.035 120.466 120.570 -0.115 0.000 2.315 319 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 319 I C 1.842 177.854 176.117 -0.174 0.000 1.117 319 I CA 1.069 62.246 61.300 -0.206 0.000 1.404 319 I CB -0.188 37.576 38.000 -0.393 0.000 1.071 319 I HN -0.003 nan 8.210 nan 0.000 0.419 320 F N -0.071 119.829 119.950 -0.084 0.000 2.558 320 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 320 F C 1.337 177.219 175.800 0.137 0.000 1.119 320 F CA 0.234 58.218 58.000 -0.027 0.000 1.451 320 F CB -1.014 37.947 39.000 -0.066 0.000 1.091 320 F HN 0.035 nan 8.300 nan 0.000 0.563 321 H N 2.823 121.981 119.070 0.146 0.000 3.173 321 H HA -0.032 4.524 4.556 -0.000 0.000 0.311 321 H C -1.707 173.586 175.328 -0.058 0.000 0.972 321 H CA -0.993 55.070 56.048 0.025 0.000 1.384 321 H CB 0.711 30.452 29.762 -0.034 0.000 1.349 321 H HN -0.106 nan 8.280 nan 0.000 0.582 322 P HA 0.033 nan 4.420 nan 0.000 0.266 322 P C -0.837 176.222 177.300 -0.401 0.000 1.381 322 P CA -0.062 62.459 63.100 -0.963 0.000 0.940 322 P CB 0.029 31.028 31.700 -1.168 0.000 1.435 323 Y N 1.203 121.527 120.300 0.041 0.000 2.326 323 Y HA 0.215 4.764 4.550 -0.000 0.000 0.333 323 Y C 1.928 177.878 175.900 0.084 0.000 1.240 323 Y CA 0.057 58.230 58.100 0.121 0.000 1.365 323 Y CB 0.039 38.689 38.460 0.317 0.000 1.289 323 Y HN -0.141 nan 8.280 nan 0.000 0.548 324 T N -0.435 114.234 114.554 0.192 0.000 2.904 324 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 324 T C -1.067 173.636 174.700 0.004 0.000 1.018 324 T CA -0.485 61.669 62.100 0.090 0.000 1.075 324 T CB 0.697 69.592 68.868 0.045 0.000 0.986 324 T HN 0.461 nan 8.240 nan 0.000 0.523 325 F N 1.253 121.092 119.950 -0.185 0.000 2.730 325 F HA 0.453 4.980 4.527 -0.000 0.000 0.335 325 F C -1.604 174.085 175.800 -0.186 0.000 1.212 325 F CA -0.882 56.924 58.000 -0.323 0.000 1.016 325 F CB 1.363 40.121 39.000 -0.404 0.000 1.290 325 F HN 0.702 nan 8.300 nan 0.000 0.495 326 D N 4.215 124.129 120.400 -0.810 0.000 2.645 326 D HA 0.453 5.093 4.640 -0.000 0.000 0.228 326 D C -1.272 174.569 176.300 -0.765 0.000 1.148 326 D CA -0.425 53.197 54.000 -0.630 0.000 0.860 326 D CB 3.310 43.936 40.800 -0.289 0.000 1.548 326 D HN 0.205 nan 8.370 nan 0.000 0.460 327 V N 2.292 121.910 119.914 -0.494 0.000 2.383 327 V HA 0.078 4.198 4.120 -0.000 0.000 0.275 327 V C 1.230 177.222 176.094 -0.170 0.000 1.036 327 V CA -0.020 62.088 62.300 -0.320 0.000 0.889 327 V CB 1.470 33.176 31.823 -0.194 0.000 0.985 327 V HN 0.463 nan 8.190 nan 0.000 0.459 328 Q N 2.922 122.651 119.800 -0.118 0.000 2.187 328 Q HA 0.045 4.385 4.340 -0.000 0.000 0.199 328 Q C 0.708 176.690 176.000 -0.029 0.000 0.957 328 Q CA 0.782 56.547 55.803 -0.064 0.000 0.857 328 Q CB 0.495 29.209 28.738 -0.041 0.000 0.929 328 Q HN 0.800 nan 8.270 nan 0.000 0.453 329 Q N -0.068 119.727 119.800 -0.009 0.000 2.426 329 Q HA 0.408 4.748 4.340 -0.000 0.000 0.278 329 Q C -2.169 173.857 176.000 0.043 0.000 1.007 329 Q CA -0.574 55.241 55.803 0.021 0.000 0.850 329 Q CB 1.627 30.385 28.738 0.032 0.000 1.427 329 Q HN 0.121 nan 8.270 nan 0.000 0.391 330 L N 3.651 124.910 121.223 0.060 0.000 2.345 330 L HA 0.433 4.773 4.340 -0.000 0.000 0.274 330 L C -0.686 176.243 176.870 0.099 0.000 0.999 330 L CA 0.029 54.914 54.840 0.075 0.000 0.849 330 L CB 1.443 43.539 42.059 0.061 0.000 1.220 330 L HN 0.753 nan 8.230 nan 0.000 0.422 331 D N 3.366 123.817 120.400 0.085 0.000 2.333 331 D HA 0.086 4.726 4.640 -0.000 0.000 0.208 331 D C -0.732 175.565 176.300 -0.005 0.000 0.984 331 D CA 0.937 54.996 54.000 0.097 0.000 0.873 331 D CB 0.227 41.075 40.800 0.081 0.000 0.935 331 D HN 0.478 nan 8.370 nan 0.000 0.521 332 W N 0.091 121.088 121.300 -0.505 0.000 3.064 332 W HA 0.424 5.083 4.660 -0.000 0.000 0.328 332 W C -2.164 173.979 176.519 -0.626 0.000 1.210 332 W CA -1.388 55.316 57.345 -1.068 0.000 1.178 332 W CB 0.474 29.631 29.460 -0.504 0.000 1.416 332 W HN -0.247 nan 8.180 nan 0.000 0.568 333 F N 2.322 120.999 119.950 -2.121 0.000 2.773 333 F HA 0.822 5.349 4.527 -0.000 0.000 0.314 333 F C -1.062 173.856 175.800 -1.469 0.000 1.160 333 F CA 0.198 57.375 58.000 -1.371 0.000 0.920 333 F CB 1.362 40.016 39.000 -0.578 0.000 1.323 333 F HN 0.675 nan 8.300 nan 0.000 0.457 334 T N 0.323 113.701 114.554 -1.960 0.000 2.676 334 T HA 0.764 5.114 4.350 -0.000 0.000 0.308 334 T C -1.502 172.653 174.700 -0.908 0.000 1.740 334 T CA -0.421 60.842 62.100 -1.396 0.000 0.982 334 T CB 0.562 69.098 68.868 -0.554 0.000 1.724 334 T HN 1.726 nan 8.240 nan 0.000 0.497 335 A N 0.473 123.037 122.820 -0.428 0.000 2.515 335 A HA 1.041 5.361 4.320 -0.000 0.000 0.296 335 A C -1.554 176.044 177.584 0.023 0.000 1.094 335 A CA -1.035 50.879 52.037 -0.205 0.000 0.718 335 A CB 1.300 20.234 19.000 -0.109 0.000 1.307 335 A HN 1.946 nan 8.150 nan 0.000 0.408 336 Y N -1.420 118.820 120.300 -0.099 0.000 2.750 336 Y HA 0.698 5.247 4.550 -0.000 0.000 0.335 336 Y C -0.933 174.910 175.900 -0.095 0.000 1.252 336 Y CA -1.175 56.906 58.100 -0.031 0.000 1.064 336 Y CB 0.774 39.248 38.460 0.022 0.000 1.321 336 Y HN 0.677 nan 8.280 nan 0.000 0.451 337 H N 1.481 120.685 119.070 0.223 0.000 2.529 337 H HA 0.470 5.026 4.556 -0.000 0.000 0.348 337 H C -0.607 174.867 175.328 0.243 0.000 1.152 337 H CA -0.741 55.401 56.048 0.157 0.000 1.202 337 H CB 2.417 32.260 29.762 0.136 0.000 1.562 337 H HN 0.468 nan 8.280 nan 0.000 0.515 338 I N 2.144 122.915 120.570 0.334 0.000 2.471 338 I HA 0.236 4.406 4.170 -0.000 0.000 0.286 338 I C 1.019 177.247 176.117 0.186 0.000 1.079 338 I CA 0.509 61.954 61.300 0.241 0.000 1.398 338 I CB 0.498 38.646 38.000 0.247 0.000 1.403 338 I HN 0.696 nan 8.210 nan 0.000 0.530 339 G N 5.629 114.504 108.800 0.125 0.000 2.601 339 G HA2 0.587 4.547 3.960 -0.000 0.000 0.291 339 G HA3 0.587 4.547 3.960 -0.000 0.000 0.291 339 G C -1.713 173.236 174.900 0.082 0.000 1.456 339 G CA -0.462 44.692 45.100 0.090 0.000 0.804 339 G HN 0.396 nan 8.290 nan 0.000 0.499 340 Q N -0.373 119.486 119.800 0.099 0.000 2.331 340 Q HA 0.775 5.115 4.340 -0.000 0.000 0.272 340 Q C -0.403 175.679 176.000 0.138 0.000 1.062 340 Q CA -0.479 55.405 55.803 0.136 0.000 0.806 340 Q CB 2.884 31.727 28.738 0.175 0.000 1.312 340 Q HN 0.569 nan 8.270 nan 0.000 0.431 341 R N 0.315 120.903 120.500 0.147 0.000 2.668 341 R HA 0.875 5.214 4.340 -0.000 0.000 0.272 341 R C -1.430 174.979 176.300 0.182 0.000 1.019 341 R CA -0.810 55.374 56.100 0.140 0.000 0.894 341 R CB 2.124 32.488 30.300 0.106 0.000 1.228 341 R HN 0.445 nan 8.270 nan 0.000 0.460 342 V N -1.506 118.519 119.914 0.186 0.000 3.120 342 V HA 0.635 4.755 4.120 -0.000 0.000 0.303 342 V C -0.281 175.957 176.094 0.240 0.000 1.238 342 V CA -1.120 61.330 62.300 0.249 0.000 1.008 342 V CB 1.768 33.748 31.823 0.263 0.000 1.064 342 V HN 0.933 nan 8.190 nan 0.000 0.434 343 T N -1.967 112.779 114.554 0.320 0.000 2.943 343 T HA 0.572 4.922 4.350 -0.000 0.000 0.284 343 T C 0.539 175.382 174.700 0.238 0.000 1.015 343 T CA 0.093 62.343 62.100 0.251 0.000 1.042 343 T CB 2.452 71.467 68.868 0.244 0.000 1.055 343 T HN 0.954 nan 8.240 nan 0.000 0.500 344 E N 0.278 120.469 120.200 -0.016 0.000 2.250 344 E HA 0.104 4.454 4.350 -0.000 0.000 0.192 344 E C 0.128 176.416 176.600 -0.521 0.000 0.986 344 E CA 0.411 56.616 56.400 -0.325 0.000 0.849 344 E CB 0.283 29.847 29.700 -0.227 0.000 0.797 344 E HN 0.497 nan 8.360 nan 0.000 0.482 345 K N -0.160 120.020 120.400 -0.366 0.000 2.270 345 K HA 0.253 4.573 4.320 -0.000 0.000 0.255 345 K C -0.814 175.803 176.600 0.028 0.000 0.936 345 K CA -0.652 55.355 56.287 -0.467 0.000 0.809 345 K CB 1.219 32.986 32.500 -1.221 0.000 1.131 345 K HN -0.001 nan 8.250 nan 0.000 0.427 346 F N 0.071 119.963 119.950 -0.097 0.000 2.706 346 F HA 0.139 4.665 4.527 -0.000 0.000 0.313 346 F C 0.702 176.729 175.800 0.378 0.000 1.096 346 F CA -0.347 57.774 58.000 0.202 0.000 1.219 346 F CB 0.828 39.923 39.000 0.158 0.000 1.051 346 F HN 0.407 nan 8.300 nan 0.000 0.568 347 S N 0.136 116.073 115.700 0.395 0.000 2.541 347 S HA 0.612 5.081 4.470 -0.000 0.000 0.271 347 S C -1.349 173.376 174.600 0.209 0.000 1.133 347 S CA -0.692 57.645 58.200 0.228 0.000 0.876 347 S CB 2.355 65.617 63.200 0.102 0.000 1.105 347 S HN -0.043 nan 8.310 nan 0.000 0.470 348 K N 2.110 122.562 120.400 0.086 0.000 2.449 348 K HA 0.486 4.806 4.320 -0.000 0.000 0.257 348 K C -0.579 175.976 176.600 -0.076 0.000 0.989 348 K CA -0.115 56.221 56.287 0.082 0.000 0.916 348 K CB -0.025 32.512 32.500 0.062 0.000 1.136 348 K HN 0.657 nan 8.250 nan 0.000 0.439 349 D N 3.259 123.630 120.400 -0.048 0.000 3.079 349 D HA -0.204 4.436 4.640 -0.000 0.000 0.214 349 D C -0.688 175.565 176.300 -0.079 0.000 1.145 349 D CA 1.377 55.344 54.000 -0.056 0.000 0.958 349 D CB -0.809 39.957 40.800 -0.057 0.000 1.117 349 D HN 0.827 nan 8.370 nan 0.000 0.416 350 E N -1.849 118.246 120.200 -0.176 0.000 2.389 350 E HA -0.278 4.072 4.350 -0.000 0.000 0.243 350 E C 1.184 177.698 176.600 -0.144 0.000 1.154 350 E CA 1.060 57.329 56.400 -0.218 0.000 0.723 350 E CB -0.420 29.367 29.700 0.146 0.000 1.261 350 E HN 0.349 nan 8.360 nan 0.000 0.390 351 R N -1.393 118.899 120.500 -0.347 0.000 2.437 351 R HA 0.254 4.594 4.340 -0.000 0.000 0.184 351 R C 0.039 176.254 176.300 -0.142 0.000 0.850 351 R CA 0.646 56.658 56.100 -0.147 0.000 1.073 351 R CB 0.817 31.006 30.300 -0.185 0.000 1.336 351 R HN 0.035 nan 8.270 nan 0.000 0.640 352 V N 3.046 122.790 119.914 -0.284 0.000 2.334 352 V HA 0.406 4.526 4.120 -0.000 0.000 0.281 352 V C -0.752 175.203 176.094 -0.231 0.000 1.016 352 V CA -0.543 61.676 62.300 -0.135 0.000 0.832 352 V CB 1.045 32.824 31.823 -0.074 0.000 0.999 352 V HN -0.059 nan 8.190 nan 0.000 0.439 353 F N 4.958 124.982 119.950 0.123 0.000 2.483 353 F HA 0.752 5.279 4.527 -0.000 0.000 0.329 353 F C 0.311 176.179 175.800 0.113 0.000 1.064 353 F CA -0.949 57.141 58.000 0.149 0.000 0.986 353 F CB 1.678 40.695 39.000 0.029 0.000 1.218 353 F HN 0.406 nan 8.300 nan 0.000 0.484 354 I N 0.202 120.983 120.570 0.352 0.000 2.740 354 I HA 1.000 5.170 4.170 -0.000 0.000 0.303 354 I C -0.899 175.248 176.117 0.050 0.000 1.044 354 I CA -0.908 60.474 61.300 0.136 0.000 1.064 354 I CB 2.032 40.074 38.000 0.071 0.000 1.249 354 I HN 0.629 nan 8.210 nan 0.000 0.433 355 A N 2.834 125.634 122.820 -0.034 0.000 2.609 355 A HA 0.949 5.269 4.320 -0.000 0.000 0.291 355 A C 0.012 177.529 177.584 -0.111 0.000 1.096 355 A CA -0.171 51.852 52.037 -0.022 0.000 0.684 355 A CB 0.852 19.913 19.000 0.101 0.000 1.282 355 A HN 2.115 nan 8.150 nan 0.000 0.412 356 G N 0.644 109.387 108.800 -0.095 0.000 2.553 356 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.242 356 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.242 356 G C 0.246 174.868 174.900 -0.463 0.000 1.277 356 G CA 0.800 45.834 45.100 -0.110 0.000 0.910 356 G HN 0.924 nan 8.290 nan 0.000 0.576 357 D N 0.513 120.803 120.400 -0.184 0.000 2.271 357 D HA 0.088 4.728 4.640 -0.000 0.000 0.207 357 D C 2.681 178.858 176.300 -0.206 0.000 0.983 357 D CA 2.243 56.139 54.000 -0.173 0.000 0.878 357 D CB -0.566 40.188 40.800 -0.077 0.000 0.920 357 D HN 0.960 nan 8.370 nan 0.000 0.479 358 A N -0.512 122.200 122.820 -0.181 0.000 2.024 358 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 358 A C 2.248 179.741 177.584 -0.151 0.000 1.164 358 A CA 1.184 53.150 52.037 -0.118 0.000 0.643 358 A CB -0.524 18.439 19.000 -0.061 0.000 0.806 358 A HN 0.391 nan 8.150 nan 0.000 0.451 359 C N -1.839 117.267 119.300 -0.323 0.000 2.791 359 C HA 0.316 4.775 4.460 -0.000 0.000 0.288 359 C C 0.229 175.212 174.990 -0.011 0.000 1.271 359 C CA 0.519 59.374 59.018 -0.271 0.000 1.726 359 C CB -0.854 26.491 27.740 -0.659 0.000 2.145 359 C HN 0.841 nan 8.230 nan 0.000 0.572 360 H N -1.161 117.984 119.070 0.126 0.000 3.128 360 H HA 0.509 5.064 4.556 -0.000 0.000 0.336 360 H C -0.687 174.742 175.328 0.167 0.000 1.026 360 H CA -0.708 55.458 56.048 0.196 0.000 1.376 360 H CB -0.141 29.788 29.762 0.278 0.000 1.882 360 H HN 0.050 nan 8.280 nan 0.000 0.479 361 T N 0.672 115.367 114.554 0.236 0.000 2.887 361 T HA 0.786 5.136 4.350 -0.000 0.000 0.288 361 T C -0.680 174.072 174.700 0.087 0.000 1.021 361 T CA -0.727 61.390 62.100 0.029 0.000 1.000 361 T CB 2.009 70.842 68.868 -0.059 0.000 1.034 361 T HN 1.065 nan 8.240 nan 0.000 0.467 362 H N -1.201 117.903 119.070 0.057 0.000 2.932 362 H HA 0.686 5.242 4.556 -0.000 0.000 0.307 362 H C -0.367 174.929 175.328 -0.054 0.000 1.391 362 H CA -0.845 55.213 56.048 0.016 0.000 1.130 362 H CB 0.287 30.064 29.762 0.026 0.000 1.836 362 H HN 0.796 nan 8.280 nan 0.000 0.522 363 S N 0.334 116.070 115.700 0.060 0.000 2.600 363 S HA 0.230 4.700 4.470 -0.000 0.000 0.265 363 S C -1.782 172.772 174.600 -0.077 0.000 1.325 363 S CA -0.697 57.440 58.200 -0.104 0.000 1.002 363 S CB 0.682 63.765 63.200 -0.195 0.000 0.921 363 S HN 0.747 nan 8.310 nan 0.000 0.554 364 P HA 0.248 nan 4.420 nan 0.000 0.258 364 P C 0.488 177.498 177.300 -0.483 0.000 1.416 364 P CA -0.190 62.733 63.100 -0.295 0.000 0.927 364 P CB 0.161 31.665 31.700 -0.327 0.000 1.444 365 K N 0.949 121.049 120.400 -0.500 0.000 2.211 365 K HA -0.023 4.297 4.320 -0.000 0.000 0.204 365 K C 1.603 178.162 176.600 -0.069 0.000 1.047 365 K CA 1.200 57.169 56.287 -0.531 0.000 0.935 365 K CB -0.794 31.341 32.500 -0.609 0.000 0.728 365 K HN 0.172 nan 8.250 nan 0.000 0.452 366 A N -0.374 122.498 122.820 0.086 0.000 2.594 366 A HA 0.407 4.727 4.320 -0.000 0.000 0.287 366 A C 0.747 178.420 177.584 0.149 0.000 1.227 366 A CA 0.287 52.458 52.037 0.223 0.000 0.952 366 A CB -0.083 19.158 19.000 0.403 0.000 1.161 366 A HN 0.196 nan 8.150 nan 0.000 0.524 367 G N 0.326 109.165 108.800 0.066 0.000 2.396 367 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.288 367 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.288 367 G C 0.582 175.556 174.900 0.123 0.000 0.926 367 G CA 0.657 45.811 45.100 0.090 0.000 1.211 367 G HN 0.454 nan 8.290 nan 0.000 0.496 368 Q N -0.565 119.329 119.800 0.157 0.000 2.396 368 Q HA 0.094 4.434 4.340 -0.000 0.000 0.209 368 Q C 2.611 178.738 176.000 0.211 0.000 0.906 368 Q CA 0.996 56.873 55.803 0.124 0.000 0.927 368 Q CB -0.089 28.633 28.738 -0.027 0.000 1.069 368 Q HN 0.591 nan 8.270 nan 0.000 0.523 369 G N 1.862 110.897 108.800 0.392 0.000 2.639 369 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 369 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 369 G C 1.456 176.501 174.900 0.242 0.000 1.267 369 G CA 1.214 46.547 45.100 0.388 0.000 0.801 369 G HN 0.363 nan 8.290 nan 0.000 0.592 370 M N 0.517 120.204 119.600 0.144 0.000 2.106 370 M HA -0.135 4.345 4.480 -0.000 0.000 0.259 370 M C 2.369 178.724 176.300 0.091 0.000 1.068 370 M CA 1.993 57.350 55.300 0.096 0.000 1.100 370 M CB -0.411 32.217 32.600 0.048 0.000 1.351 370 M HN 0.195 nan 8.290 nan 0.000 0.404 371 N N 0.109 118.856 118.700 0.079 0.000 2.007 371 N HA -0.168 4.572 4.740 -0.000 0.000 0.197 371 N C 1.650 177.198 175.510 0.062 0.000 1.050 371 N CA 2.457 55.532 53.050 0.042 0.000 0.856 371 N CB -0.968 37.533 38.487 0.024 0.000 1.050 371 N HN 0.469 nan 8.380 nan 0.000 0.423 372 T N 1.144 115.768 114.554 0.117 0.000 2.746 372 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 372 T C 2.235 177.078 174.700 0.238 0.000 1.039 372 T CA 1.344 63.532 62.100 0.148 0.000 1.142 372 T CB -0.300 68.653 68.868 0.142 0.000 0.866 372 T HN 0.216 nan 8.240 nan 0.000 0.444 373 S N 1.419 117.300 115.700 0.301 0.000 2.368 373 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 373 S C 2.112 176.821 174.600 0.180 0.000 1.030 373 S CA 1.133 59.499 58.200 0.278 0.000 0.999 373 S CB -0.367 62.965 63.200 0.219 0.000 0.844 373 S HN 0.440 nan 8.310 nan 0.000 0.459 374 M N 0.278 119.953 119.600 0.125 0.000 2.254 374 M HA 0.029 4.509 4.480 -0.000 0.000 0.265 374 M C 1.806 178.184 176.300 0.130 0.000 1.066 374 M CA 0.937 56.296 55.300 0.098 0.000 1.123 374 M CB -0.424 32.200 32.600 0.040 0.000 1.388 374 M HN 0.272 nan 8.290 nan 0.000 0.425 375 M N 0.079 119.746 119.600 0.111 0.000 2.319 375 M HA -0.115 4.365 4.480 -0.000 0.000 0.265 375 M C 1.276 177.715 176.300 0.233 0.000 1.068 375 M CA 1.310 56.693 55.300 0.139 0.000 1.118 375 M CB -1.202 31.404 32.600 0.010 0.000 1.395 375 M HN 0.155 nan 8.290 nan 0.000 0.435 376 D N 0.596 121.149 120.400 0.255 0.000 2.092 376 D HA -0.128 4.512 4.640 -0.000 0.000 0.193 376 D C 1.988 178.462 176.300 0.290 0.000 0.994 376 D CA 2.319 56.540 54.000 0.369 0.000 0.828 376 D CB -0.467 40.593 40.800 0.433 0.000 0.963 376 D HN 0.425 nan 8.370 nan 0.000 0.450 377 T N -2.118 112.537 114.554 0.169 0.000 3.055 377 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 377 T C 1.964 176.722 174.700 0.096 0.000 1.111 377 T CA 0.282 62.405 62.100 0.039 0.000 1.118 377 T CB -0.519 68.360 68.868 0.019 0.000 0.909 377 T HN 0.104 nan 8.240 nan 0.000 0.501 378 Y N 2.633 122.974 120.300 0.069 0.000 2.242 378 Y HA -0.048 4.502 4.550 -0.000 0.000 0.291 378 Y C 2.458 178.468 175.900 0.183 0.000 1.137 378 Y CA 1.319 59.488 58.100 0.115 0.000 1.181 378 Y CB -0.389 38.140 38.460 0.116 0.000 0.989 378 Y HN 0.227 nan 8.280 nan 0.000 0.527 379 N N 0.280 119.108 118.700 0.212 0.000 2.109 379 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 379 N C 1.974 177.358 175.510 -0.210 0.000 1.034 379 N CA 1.448 54.565 53.050 0.112 0.000 0.846 379 N CB -0.454 38.127 38.487 0.156 0.000 1.010 379 N HN 0.446 nan 8.380 nan 0.000 0.425 380 L N 1.563 122.628 121.223 -0.263 0.000 2.046 380 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 380 L C 2.313 178.823 176.870 -0.600 0.000 1.077 380 L CA 2.154 56.603 54.840 -0.652 0.000 0.747 380 L CB -1.319 40.095 42.059 -1.075 0.000 0.896 380 L HN 0.240 nan 8.230 nan 0.000 0.432 381 G N 0.106 108.690 108.800 -0.361 0.000 2.513 381 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 381 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 381 G C 1.409 176.162 174.900 -0.245 0.000 1.160 381 G CA 1.116 46.070 45.100 -0.244 0.000 0.767 381 G HN 0.747 nan 8.290 nan 0.000 0.571 382 W N 1.156 122.305 121.300 -0.253 0.000 2.467 382 W HA 0.172 4.832 4.660 -0.000 0.000 0.275 382 W C 1.822 178.142 176.519 -0.332 0.000 1.239 382 W CA 0.880 58.090 57.345 -0.225 0.000 1.266 382 W CB -0.411 28.949 29.460 -0.167 0.000 1.112 382 W HN 0.222 nan 8.180 nan 0.000 0.576 383 K N 0.605 120.427 120.400 -0.963 0.000 2.031 383 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 383 K C 2.141 178.380 176.600 -0.601 0.000 1.049 383 K CA 1.161 56.895 56.287 -0.922 0.000 0.939 383 K CB -0.568 31.296 32.500 -1.061 0.000 0.717 383 K HN -0.059 nan 8.250 nan 0.000 0.438 384 L N 1.064 121.907 121.223 -0.634 0.000 2.083 384 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 384 L C 2.123 178.651 176.870 -0.570 0.000 1.083 384 L CA 1.835 56.313 54.840 -0.603 0.000 0.752 384 L CB -1.087 40.606 42.059 -0.608 0.000 0.899 384 L HN 0.270 nan 8.230 nan 0.000 0.433 385 G N -0.868 107.465 108.800 -0.779 0.000 2.421 385 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 385 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 385 G C 1.618 176.018 174.900 -0.833 0.000 1.171 385 G CA 0.949 45.241 45.100 -1.348 0.000 0.775 385 G HN 0.404 nan 8.290 nan 0.000 0.543 386 L N 0.222 121.128 121.223 -0.527 0.000 2.093 386 L HA -0.069 4.270 4.340 -0.000 0.000 0.208 386 L C 2.995 179.808 176.870 -0.095 0.000 1.085 386 L CA 0.305 55.077 54.840 -0.115 0.000 0.755 386 L CB -0.489 41.631 42.059 0.101 0.000 0.904 386 L HN 0.088 nan 8.230 nan 0.000 0.435 387 V N 0.281 120.092 119.914 -0.172 0.000 2.261 387 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 387 V C 2.382 178.429 176.094 -0.078 0.000 1.047 387 V CA 1.747 63.977 62.300 -0.116 0.000 1.015 387 V CB -0.370 31.353 31.823 -0.168 0.000 0.642 387 V HN 0.351 nan 8.190 nan 0.000 0.446 388 L N 0.582 121.728 121.223 -0.130 0.000 2.191 388 L HA -0.121 4.218 4.340 -0.000 0.000 0.212 388 L C 2.282 179.156 176.870 0.007 0.000 1.103 388 L CA 1.836 56.649 54.840 -0.044 0.000 0.769 388 L CB -0.771 41.249 42.059 -0.065 0.000 0.908 388 L HN 0.576 nan 8.230 nan 0.000 0.438 389 T N -3.695 110.866 114.554 0.011 0.000 3.188 389 T HA 0.272 4.622 4.350 -0.000 0.000 0.250 389 T C 1.311 176.048 174.700 0.062 0.000 1.077 389 T CA 0.258 62.399 62.100 0.068 0.000 0.967 389 T CB 0.316 69.266 68.868 0.138 0.000 1.006 389 T HN 0.416 nan 8.240 nan 0.000 0.552 390 G N 1.772 110.597 108.800 0.042 0.000 2.198 390 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 390 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 390 G C 0.756 175.694 174.900 0.062 0.000 1.025 390 G CA 0.394 45.521 45.100 0.046 0.000 0.769 390 G HN 0.571 nan 8.290 nan 0.000 0.507 391 R N -0.608 119.933 120.500 0.069 0.000 2.279 391 R HA 0.583 4.922 4.340 -0.000 0.000 0.195 391 R C 1.211 177.562 176.300 0.085 0.000 0.905 391 R CA 1.011 57.168 56.100 0.096 0.000 1.044 391 R CB 0.561 30.941 30.300 0.134 0.000 1.056 391 R HN 0.680 nan 8.270 nan 0.000 0.535 392 A N 0.717 123.573 122.820 0.060 0.000 2.469 392 A HA 0.535 4.855 4.320 -0.000 0.000 0.299 392 A C -1.147 176.447 177.584 0.016 0.000 1.098 392 A CA -0.806 51.259 52.037 0.047 0.000 0.737 392 A CB 1.320 20.364 19.000 0.072 0.000 1.312 392 A HN 0.007 nan 8.150 nan 0.000 0.414 393 K N 0.452 120.857 120.400 0.009 0.000 2.154 393 K HA 0.299 4.619 4.320 -0.000 0.000 0.264 393 K C 0.855 177.451 176.600 -0.007 0.000 1.008 393 K CA -0.589 55.701 56.287 0.005 0.000 0.937 393 K CB 1.119 33.621 32.500 0.004 0.000 1.002 393 K HN 0.681 nan 8.250 nan 0.000 0.469 394 R N 1.189 121.694 120.500 0.009 0.000 2.152 394 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 394 R C 0.813 177.121 176.300 0.014 0.000 1.117 394 R CA 1.439 57.552 56.100 0.022 0.000 0.981 394 R CB 0.008 30.344 30.300 0.059 0.000 0.870 394 R HN 0.644 nan 8.270 nan 0.000 0.451 395 D N 0.702 121.106 120.400 0.007 0.000 2.228 395 D HA -0.193 4.447 4.640 -0.000 0.000 0.203 395 D C 1.732 178.020 176.300 -0.019 0.000 0.988 395 D CA 1.315 55.316 54.000 0.002 0.000 0.864 395 D CB -0.222 40.577 40.800 -0.002 0.000 0.928 395 D HN 0.497 nan 8.370 nan 0.000 0.469 396 I N -1.890 118.650 120.570 -0.050 0.000 2.567 396 I HA -0.187 3.983 4.170 -0.000 0.000 0.257 396 I C 1.921 177.954 176.117 -0.141 0.000 1.184 396 I CA 0.863 62.102 61.300 -0.101 0.000 1.451 396 I CB -0.503 37.413 38.000 -0.140 0.000 1.089 396 I HN -0.091 nan 8.210 nan 0.000 0.441 397 L N 1.062 122.231 121.223 -0.090 0.000 2.265 397 L HA -0.135 4.204 4.340 -0.000 0.000 0.215 397 L C 2.537 179.463 176.870 0.093 0.000 1.117 397 L CA 1.352 56.173 54.840 -0.031 0.000 0.782 397 L CB -0.709 41.425 42.059 0.126 0.000 0.914 397 L HN 0.248 nan 8.230 nan 0.000 0.441 398 K N -0.204 120.235 120.400 0.066 0.000 2.211 398 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 398 K C 2.156 178.768 176.600 0.019 0.000 1.050 398 K CA 1.715 58.044 56.287 0.070 0.000 0.945 398 K CB -0.240 32.277 32.500 0.029 0.000 0.732 398 K HN 0.457 nan 8.250 nan 0.000 0.451 399 T N -1.516 113.014 114.554 -0.039 0.000 2.995 399 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 399 T C 1.743 176.367 174.700 -0.126 0.000 1.091 399 T CA 0.550 62.590 62.100 -0.100 0.000 1.128 399 T CB -0.361 68.433 68.868 -0.124 0.000 0.891 399 T HN 0.251 nan 8.240 nan 0.000 0.492 400 Y N 2.400 122.580 120.300 -0.199 0.000 2.049 400 Y HA -0.148 4.402 4.550 -0.000 0.000 0.277 400 Y C 2.473 178.335 175.900 -0.063 0.000 1.143 400 Y CA 2.073 60.066 58.100 -0.178 0.000 1.115 400 Y CB -0.718 37.617 38.460 -0.210 0.000 0.975 400 Y HN 0.366 nan 8.280 nan 0.000 0.487 401 E N -0.162 119.928 120.200 -0.183 0.000 2.110 401 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 401 E C 2.031 178.447 176.600 -0.308 0.000 0.988 401 E CA 1.465 57.662 56.400 -0.339 0.000 0.804 401 E CB -0.171 29.477 29.700 -0.086 0.000 0.745 401 E HN 0.715 nan 8.360 nan 0.000 0.458 402 E N 0.114 120.203 120.200 -0.185 0.000 2.110 402 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 402 E C 1.950 178.453 176.600 -0.162 0.000 0.988 402 E CA 1.459 57.776 56.400 -0.138 0.000 0.804 402 E CB 0.080 29.724 29.700 -0.094 0.000 0.745 402 E HN 0.373 nan 8.360 nan 0.000 0.458 403 E N -0.309 119.724 120.200 -0.278 0.000 2.102 403 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 403 E C 2.068 178.567 176.600 -0.168 0.000 0.971 403 E CA 0.290 56.475 56.400 -0.358 0.000 0.821 403 E CB 0.265 29.355 29.700 -1.016 0.000 0.777 403 E HN 0.020 nan 8.360 nan 0.000 0.460 404 R N 0.200 120.533 120.500 -0.278 0.000 2.140 404 R HA 0.013 4.353 4.340 -0.000 0.000 0.213 404 R C 2.213 178.382 176.300 -0.218 0.000 1.059 404 R CA 0.781 56.810 56.100 -0.118 0.000 1.000 404 R CB -0.638 29.598 30.300 -0.108 0.000 0.910 404 R HN 0.352 nan 8.270 nan 0.000 0.455 405 H N 0.985 119.584 119.070 -0.785 0.000 2.357 405 H HA 0.072 4.628 4.556 -0.000 0.000 0.301 405 H C 1.487 176.651 175.328 -0.273 0.000 1.082 405 H CA 1.547 57.044 56.048 -0.919 0.000 1.342 405 H CB 0.335 29.416 29.762 -1.135 0.000 1.389 405 H HN 0.099 nan 8.280 nan 0.000 0.511 406 A N 0.775 123.365 122.820 -0.383 0.000 1.933 406 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 406 A C 2.342 179.835 177.584 -0.152 0.000 1.175 406 A CA 1.205 53.089 52.037 -0.255 0.000 0.628 406 A CB -1.238 17.738 19.000 -0.039 0.000 0.814 406 A HN 0.516 nan 8.150 nan 0.000 0.444 407 F N 0.944 120.831 119.950 -0.106 0.000 2.134 407 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 407 F C 2.474 178.278 175.800 0.006 0.000 1.097 407 F CA 1.148 59.154 58.000 0.011 0.000 1.264 407 F CB -0.311 38.728 39.000 0.065 0.000 1.001 407 F HN 0.249 nan 8.300 nan 0.000 0.479 408 A N -0.242 122.547 122.820 -0.053 0.000 1.902 408 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 408 A C 2.085 179.582 177.584 -0.145 0.000 1.181 408 A CA 1.736 53.756 52.037 -0.029 0.000 0.623 408 A CB -0.986 18.238 19.000 0.373 0.000 0.818 408 A HN 0.516 nan 8.150 nan 0.000 0.443 409 Q N -0.082 119.562 119.800 -0.259 0.000 2.050 409 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 409 Q C 2.043 177.922 176.000 -0.202 0.000 0.980 409 Q CA 2.277 57.960 55.803 -0.201 0.000 0.840 409 Q CB -0.592 28.004 28.738 -0.237 0.000 0.898 409 Q HN 0.551 nan 8.270 nan 0.000 0.424 410 A N 0.177 122.837 122.820 -0.267 0.000 1.933 410 A HA -0.138 4.181 4.320 -0.000 0.000 0.218 410 A C 1.988 179.316 177.584 -0.426 0.000 1.175 410 A CA 1.453 53.297 52.037 -0.320 0.000 0.628 410 A CB -0.874 17.968 19.000 -0.265 0.000 0.814 410 A HN 0.511 nan 8.150 nan 0.000 0.444 411 L N -0.464 120.547 121.223 -0.354 0.000 2.017 411 L HA -0.128 4.211 4.340 -0.000 0.000 0.208 411 L C 2.094 178.899 176.870 -0.109 0.000 1.073 411 L CA 1.949 56.690 54.840 -0.165 0.000 0.745 411 L CB -0.615 41.312 42.059 -0.219 0.000 0.894 411 L HN 0.271 nan 8.230 nan 0.000 0.432 412 I N 0.378 120.901 120.570 -0.079 0.000 2.226 412 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 412 I C 2.114 178.228 176.117 -0.006 0.000 1.100 412 I CA 1.400 62.705 61.300 0.008 0.000 1.374 412 I CB -0.757 37.282 38.000 0.066 0.000 1.057 412 I HN 0.328 nan 8.210 nan 0.000 0.413 413 D N -0.211 120.145 120.400 -0.074 0.000 2.104 413 D HA -0.244 4.396 4.640 -0.000 0.000 0.194 413 D C 2.062 178.335 176.300 -0.045 0.000 0.994 413 D CA 1.281 55.236 54.000 -0.075 0.000 0.830 413 D CB -0.509 40.215 40.800 -0.127 0.000 0.959 413 D HN 0.324 nan 8.370 nan 0.000 0.452 414 F N 1.849 121.615 119.950 -0.306 0.000 2.102 414 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 414 F C 1.891 177.638 175.800 -0.089 0.000 1.105 414 F CA 1.576 59.385 58.000 -0.319 0.000 1.239 414 F CB -0.508 38.073 39.000 -0.699 0.000 0.991 414 F HN -0.183 nan 8.300 nan 0.000 0.474 415 D N -1.186 118.948 120.400 -0.443 0.000 2.144 415 D HA -0.219 4.421 4.640 -0.000 0.000 0.200 415 D C 2.151 178.361 176.300 -0.149 0.000 0.978 415 D CA 1.475 55.232 54.000 -0.406 0.000 0.833 415 D CB -0.286 40.410 40.800 -0.173 0.000 0.961 415 D HN 0.531 nan 8.370 nan 0.000 0.470 416 H N -0.002 119.000 119.070 -0.114 0.000 2.289 416 H HA -0.169 4.387 4.556 -0.000 0.000 0.296 416 H C 2.054 177.372 175.328 -0.016 0.000 1.091 416 H CA 2.402 58.429 56.048 -0.034 0.000 1.274 416 H CB 0.000 29.753 29.762 -0.015 0.000 1.364 416 H HN 0.118 nan 8.280 nan 0.000 0.490 417 Q N -0.843 119.044 119.800 0.145 0.000 2.049 417 Q HA -0.148 4.192 4.340 -0.000 0.000 0.198 417 Q C 2.139 178.207 176.000 0.114 0.000 0.971 417 Q CA 1.350 57.233 55.803 0.132 0.000 0.833 417 Q CB -0.287 28.534 28.738 0.138 0.000 0.896 417 Q HN 0.499 nan 8.270 nan 0.000 0.434 418 F N 1.925 121.769 119.950 -0.176 0.000 2.126 418 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 418 F C 2.654 178.416 175.800 -0.063 0.000 1.096 418 F CA 1.891 59.789 58.000 -0.170 0.000 1.255 418 F CB -0.673 38.017 39.000 -0.518 0.000 0.997 418 F HN 0.237 nan 8.300 nan 0.000 0.479 419 S N -0.135 115.484 115.700 -0.136 0.000 2.399 419 S HA -0.189 4.281 4.470 -0.000 0.000 0.231 419 S C 2.139 176.671 174.600 -0.112 0.000 1.022 419 S CA 1.078 59.157 58.200 -0.201 0.000 0.983 419 S CB -0.610 62.480 63.200 -0.184 0.000 0.803 419 S HN 0.454 nan 8.310 nan 0.000 0.480 420 R N 0.770 121.240 120.500 -0.051 0.000 2.093 420 R HA 0.256 4.596 4.340 -0.000 0.000 0.224 420 R C 2.360 178.653 176.300 -0.012 0.000 1.101 420 R CA 1.157 57.257 56.100 0.000 0.000 0.979 420 R CB -0.570 29.763 30.300 0.055 0.000 0.877 420 R HN 0.391 nan 8.270 nan 0.000 0.441 421 L N -0.576 120.659 121.223 0.019 0.000 2.046 421 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 421 L C 2.147 178.964 176.870 -0.089 0.000 1.077 421 L CA 1.185 56.035 54.840 0.017 0.000 0.747 421 L CB -0.428 41.737 42.059 0.177 0.000 0.896 421 L HN 0.095 nan 8.230 nan 0.000 0.432 422 F N 0.432 120.220 119.950 -0.269 0.000 2.216 422 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 422 F C 2.507 178.169 175.800 -0.230 0.000 1.085 422 F CA 1.374 59.143 58.000 -0.384 0.000 1.326 422 F CB -0.159 38.555 39.000 -0.477 0.000 1.027 422 F HN -0.032 nan 8.300 nan 0.000 0.497 423 S N -0.907 114.785 115.700 -0.014 0.000 2.575 423 S HA 0.218 4.688 4.470 -0.000 0.000 0.215 423 S C 1.099 175.434 174.600 -0.443 0.000 0.966 423 S CA 0.272 58.289 58.200 -0.306 0.000 0.911 423 S CB -0.360 62.319 63.200 -0.868 0.000 0.780 423 S HN 0.292 nan 8.310 nan 0.000 0.514 424 G N 1.249 109.938 108.800 -0.186 0.000 2.504 424 G HA2 0.468 4.428 3.960 -0.000 0.000 0.288 424 G HA3 0.468 4.428 3.960 -0.000 0.000 0.288 424 G C -0.435 174.465 174.900 -0.001 0.000 1.182 424 G CA -0.770 44.295 45.100 -0.058 0.000 0.894 424 G HN 0.261 nan 8.290 nan 0.000 0.521 425 R N 1.470 121.973 120.500 0.005 0.000 2.438 425 R HA 0.238 4.578 4.340 -0.000 0.000 0.287 425 R C -2.104 174.178 176.300 -0.030 0.000 1.077 425 R CA -1.321 54.782 56.100 0.005 0.000 1.034 425 R CB 0.798 31.100 30.300 0.004 0.000 0.993 425 R HN 0.272 nan 8.270 nan 0.000 0.459 426 P HA 0.026 nan 4.420 nan 0.000 0.271 426 P C -1.008 176.250 177.300 -0.069 0.000 1.216 426 P CA -0.139 62.878 63.100 -0.138 0.000 0.776 426 P CB 0.927 32.550 31.700 -0.128 0.000 0.881 427 A N 3.487 126.264 122.820 -0.071 0.000 2.548 427 A HA -0.018 4.302 4.320 -0.000 0.000 0.247 427 A C 1.527 179.100 177.584 -0.018 0.000 1.067 427 A CA 0.130 52.148 52.037 -0.033 0.000 0.757 427 A CB -0.338 18.646 19.000 -0.026 0.000 0.996 427 A HN 0.536 nan 8.150 nan 0.000 0.504 428 K N 0.492 120.889 120.400 -0.005 0.000 2.155 428 K HA -0.043 4.277 4.320 -0.000 0.000 0.203 428 K C -0.107 176.496 176.600 0.006 0.000 1.052 428 K CA 1.787 58.077 56.287 0.004 0.000 0.948 428 K CB 0.106 32.610 32.500 0.007 0.000 0.728 428 K HN 1.018 nan 8.250 nan 0.000 0.448 429 D N -3.992 116.410 120.400 0.003 0.000 2.738 429 D HA -0.070 4.570 4.640 -0.000 0.000 0.308 429 D C 0.209 176.511 176.300 0.004 0.000 1.311 429 D CA -0.662 53.341 54.000 0.004 0.000 0.799 429 D CB 0.586 41.390 40.800 0.006 0.000 1.332 429 D HN -0.237 nan 8.370 nan 0.000 0.441 430 V N -0.175 119.742 119.914 0.005 0.000 2.720 430 V HA 0.003 4.123 4.120 -0.000 0.000 0.256 430 V C 1.864 177.961 176.094 0.006 0.000 1.082 430 V CA 2.546 64.849 62.300 0.005 0.000 1.101 430 V CB -0.743 31.083 31.823 0.006 0.000 0.693 430 V HN 0.728 nan 8.190 nan 0.000 0.479 431 A N -0.652 122.171 122.820 0.006 0.000 2.218 431 A HA 0.062 4.382 4.320 -0.000 0.000 0.209 431 A C 1.222 178.810 177.584 0.006 0.000 1.168 431 A CA 0.695 52.736 52.037 0.006 0.000 0.804 431 A CB -0.233 18.771 19.000 0.006 0.000 0.834 431 A HN 0.578 nan 8.150 nan 0.000 0.482 432 D N 0.830 121.233 120.400 0.006 0.000 2.631 432 D HA 0.038 4.678 4.640 -0.000 0.000 0.227 432 D C 1.216 177.520 176.300 0.006 0.000 1.146 432 D CA -0.095 53.908 54.000 0.006 0.000 1.009 432 D CB 0.196 40.998 40.800 0.004 0.000 1.057 432 D HN 0.441 nan 8.370 nan 0.000 0.509 433 E N 2.807 123.012 120.200 0.009 0.000 2.472 433 E HA -0.158 4.192 4.350 -0.000 0.000 0.200 433 E C 0.757 177.366 176.600 0.014 0.000 1.046 433 E CA 0.416 56.823 56.400 0.011 0.000 0.871 433 E CB -0.038 29.670 29.700 0.013 0.000 0.806 433 E HN 0.422 nan 8.360 nan 0.000 0.533 434 M N 0.913 120.522 119.600 0.015 0.000 2.435 434 M HA 0.152 4.632 4.480 -0.000 0.000 0.265 434 M C 1.298 177.608 176.300 0.017 0.000 1.104 434 M CA 0.720 56.033 55.300 0.020 0.000 1.140 434 M CB -0.768 31.845 32.600 0.022 0.000 1.372 434 M HN 0.048 nan 8.290 nan 0.000 0.456 435 G N 0.716 109.519 108.800 0.005 0.000 2.614 435 G HA2 0.312 4.271 3.960 -0.000 0.000 0.239 435 G HA3 0.312 4.271 3.960 -0.000 0.000 0.239 435 G C -0.290 174.595 174.900 -0.025 0.000 1.240 435 G CA -0.501 44.593 45.100 -0.011 0.000 0.842 435 G HN 0.105 nan 8.290 nan 0.000 0.584 436 V N 1.024 120.899 119.914 -0.065 0.000 2.488 436 V HA 0.241 4.361 4.120 -0.000 0.000 0.277 436 V C 1.020 177.050 176.094 -0.107 0.000 1.046 436 V CA -0.367 61.876 62.300 -0.095 0.000 0.986 436 V CB 1.208 32.921 31.823 -0.182 0.000 0.989 436 V HN 0.828 nan 8.190 nan 0.000 0.475 437 S N 6.036 121.710 115.700 -0.044 0.000 2.510 437 S HA 0.136 4.606 4.470 -0.000 0.000 0.279 437 S C 1.200 175.790 174.600 -0.017 0.000 1.284 437 S CA -0.654 57.532 58.200 -0.022 0.000 1.059 437 S CB 0.466 63.675 63.200 0.014 0.000 0.901 437 S HN 0.586 nan 8.310 nan 0.000 0.491 438 M N 3.378 122.959 119.600 -0.032 0.000 2.296 438 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 438 M C 1.402 177.768 176.300 0.110 0.000 1.064 438 M CA 1.196 56.508 55.300 0.020 0.000 1.109 438 M CB -1.210 31.389 32.600 -0.003 0.000 1.396 438 M HN 0.691 nan 8.290 nan 0.000 0.430 439 D N -0.275 120.166 120.400 0.069 0.000 2.183 439 D HA -0.061 4.579 4.640 -0.000 0.000 0.203 439 D C 2.125 178.472 176.300 0.078 0.000 0.969 439 D CA 0.971 55.010 54.000 0.064 0.000 0.842 439 D CB 0.286 41.109 40.800 0.038 0.000 0.957 439 D HN 0.201 nan 8.370 nan 0.000 0.484 440 V N 1.289 121.258 119.914 0.092 0.000 2.379 440 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 440 V C 2.155 178.352 176.094 0.172 0.000 1.044 440 V CA 1.025 63.389 62.300 0.107 0.000 1.036 440 V CB -0.546 31.334 31.823 0.095 0.000 0.664 440 V HN 0.057 nan 8.190 nan 0.000 0.453 441 F N 1.505 121.478 119.950 0.038 0.000 2.095 441 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 441 F C 2.440 178.352 175.800 0.186 0.000 1.104 441 F CA 2.263 60.310 58.000 0.079 0.000 1.232 441 F CB -0.400 38.587 39.000 -0.022 0.000 0.987 441 F HN 0.030 nan 8.300 nan 0.000 0.475 442 K N 0.306 120.718 120.400 0.021 0.000 2.026 442 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 442 K C 2.289 178.884 176.600 -0.009 0.000 1.048 442 K CA 1.799 58.058 56.287 -0.046 0.000 0.929 442 K CB -0.460 32.049 32.500 0.015 0.000 0.713 442 K HN 0.470 nan 8.250 nan 0.000 0.439 443 E N -0.053 120.163 120.200 0.026 0.000 2.077 443 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 443 E C 1.792 178.416 176.600 0.039 0.000 0.989 443 E CA 1.076 57.493 56.400 0.028 0.000 0.800 443 E CB -0.133 29.587 29.700 0.034 0.000 0.746 443 E HN 0.425 nan 8.360 nan 0.000 0.452 444 A N 0.638 123.501 122.820 0.073 0.000 1.902 444 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 444 A C 1.978 179.579 177.584 0.027 0.000 1.181 444 A CA 1.207 53.303 52.037 0.098 0.000 0.623 444 A CB -0.837 18.305 19.000 0.236 0.000 0.818 444 A HN 0.418 nan 8.150 nan 0.000 0.443 445 F N 0.450 120.322 119.950 -0.129 0.000 2.102 445 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 445 F C 2.497 178.194 175.800 -0.171 0.000 1.105 445 F CA 1.357 59.241 58.000 -0.194 0.000 1.239 445 F CB -0.599 38.267 39.000 -0.223 0.000 0.991 445 F HN 0.037 nan 8.300 nan 0.000 0.474 446 V N 0.328 120.299 119.914 0.096 0.000 2.295 446 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 446 V C 2.477 178.562 176.094 -0.016 0.000 1.049 446 V CA 2.321 64.626 62.300 0.009 0.000 1.024 446 V CB -0.754 31.056 31.823 -0.021 0.000 0.648 446 V HN 0.268 nan 8.190 nan 0.000 0.447 447 K N 0.265 120.649 120.400 -0.026 0.000 2.057 447 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 447 K C 2.178 178.697 176.600 -0.135 0.000 1.050 447 K CA 1.531 57.781 56.287 -0.061 0.000 0.935 447 K CB -0.612 31.862 32.500 -0.043 0.000 0.715 447 K HN 0.468 nan 8.250 nan 0.000 0.439 448 G N 0.915 109.600 108.800 -0.192 0.000 2.442 448 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.219 448 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.219 448 G C 1.084 175.788 174.900 -0.328 0.000 1.141 448 G CA 1.215 46.044 45.100 -0.452 0.000 0.763 448 G HN 0.474 nan 8.290 nan 0.000 0.554 449 N N 0.051 118.691 118.700 -0.099 0.000 2.205 449 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 449 N C 2.074 177.537 175.510 -0.078 0.000 1.015 449 N CA 1.062 54.091 53.050 -0.035 0.000 0.862 449 N CB -0.108 38.388 38.487 0.015 0.000 0.986 449 N HN 0.579 nan 8.380 nan 0.000 0.429 450 E N 0.651 120.798 120.200 -0.088 0.000 2.028 450 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 450 E C 1.756 178.299 176.600 -0.095 0.000 0.988 450 E CA 0.735 57.088 56.400 -0.078 0.000 0.799 450 E CB -0.122 29.544 29.700 -0.058 0.000 0.755 450 E HN 0.296 nan 8.360 nan 0.000 0.447 451 F N 1.349 121.131 119.950 -0.280 0.000 2.069 451 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 451 F C 2.109 177.759 175.800 -0.249 0.000 1.113 451 F CA 1.945 59.756 58.000 -0.315 0.000 1.214 451 F CB -0.617 38.027 39.000 -0.593 0.000 0.978 451 F HN 0.119 nan 8.300 nan 0.000 0.474 452 A N -0.211 122.448 122.820 -0.268 0.000 2.070 452 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 452 A C 2.307 179.799 177.584 -0.153 0.000 1.159 452 A CA 1.795 53.725 52.037 -0.178 0.000 0.656 452 A CB -1.411 17.575 19.000 -0.024 0.000 0.800 452 A HN 0.574 nan 8.150 nan 0.000 0.453 453 S N -1.391 114.221 115.700 -0.147 0.000 2.419 453 S HA 0.175 4.645 4.470 -0.000 0.000 0.235 453 S C 1.740 176.251 174.600 -0.147 0.000 1.019 453 S CA 1.537 59.671 58.200 -0.110 0.000 0.982 453 S CB -0.742 62.403 63.200 -0.092 0.000 0.789 453 S HN 1.990 nan 8.310 nan 0.000 0.490 454 G N 0.420 109.080 108.800 -0.233 0.000 2.179 454 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 454 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 454 G C 0.913 175.691 174.900 -0.204 0.000 0.977 454 G CA 1.064 46.011 45.100 -0.255 0.000 0.641 454 G HN 1.272 nan 8.290 nan 0.000 0.533 455 T N -2.616 111.841 114.554 -0.162 0.000 3.081 455 T HA 0.595 4.945 4.350 -0.000 0.000 0.250 455 T C 2.029 176.661 174.700 -0.113 0.000 1.100 455 T CA 1.250 63.272 62.100 -0.131 0.000 1.038 455 T CB 0.483 69.286 68.868 -0.108 0.000 0.962 455 T HN 1.324 nan 8.240 nan 0.000 0.516 456 A N 0.964 123.719 122.820 -0.108 0.000 2.308 456 A HA 0.484 4.804 4.320 -0.000 0.000 0.217 456 A C 0.852 178.413 177.584 -0.037 0.000 1.216 456 A CA -0.539 51.462 52.037 -0.061 0.000 0.864 456 A CB -0.534 18.447 19.000 -0.031 0.000 0.902 456 A HN 0.610 nan 8.150 nan 0.000 0.499 457 I N 1.675 122.206 120.570 -0.066 0.000 2.919 457 I HA -0.114 4.056 4.170 -0.000 0.000 0.303 457 I C 0.220 176.253 176.117 -0.139 0.000 1.221 457 I CA 0.457 61.700 61.300 -0.095 0.000 1.444 457 I CB 0.137 37.972 38.000 -0.275 0.000 1.331 457 I HN 0.256 nan 8.210 nan 0.000 0.572 458 N N 6.659 125.290 118.700 -0.114 0.000 2.531 458 N HA 0.219 4.959 4.740 -0.000 0.000 0.268 458 N C -1.252 174.238 175.510 -0.032 0.000 1.023 458 N CA -0.501 52.507 53.050 -0.071 0.000 0.896 458 N CB 0.767 39.259 38.487 0.007 0.000 1.233 458 N HN 0.209 nan 8.380 nan 0.000 0.512 459 Y N 0.976 121.318 120.300 0.071 0.000 2.346 459 Y HA 0.190 4.739 4.550 -0.000 0.000 0.330 459 Y C 0.924 176.849 175.900 0.042 0.000 1.178 459 Y CA -0.265 57.852 58.100 0.029 0.000 1.331 459 Y CB 0.469 38.919 38.460 -0.016 0.000 1.253 459 Y HN 0.372 nan 8.280 nan 0.000 0.529 460 D N 1.331 121.856 120.400 0.208 0.000 2.362 460 D HA -0.002 4.638 4.640 -0.000 0.000 0.242 460 D C 0.118 176.486 176.300 0.112 0.000 1.132 460 D CA -0.287 53.786 54.000 0.122 0.000 0.907 460 D CB 0.478 41.327 40.800 0.082 0.000 1.195 460 D HN 0.586 nan 8.370 nan 0.000 0.429 461 E N 0.821 121.074 120.200 0.088 0.000 2.534 461 E HA -0.039 4.310 4.350 -0.000 0.000 0.264 461 E C -0.206 176.435 176.600 0.069 0.000 0.981 461 E CA 0.212 56.662 56.400 0.084 0.000 0.948 461 E CB 0.265 30.004 29.700 0.066 0.000 0.934 461 E HN 0.543 nan 8.360 nan 0.000 0.459 462 N N 2.181 120.927 118.700 0.076 0.000 3.441 462 N HA -0.014 4.726 4.740 -0.000 0.000 0.313 462 N C -0.278 175.267 175.510 0.058 0.000 1.526 462 N CA -0.667 52.412 53.050 0.049 0.000 0.871 462 N CB -0.210 38.291 38.487 0.023 0.000 1.779 462 N HN 0.400 nan 8.380 nan 0.000 0.529 463 L N -0.092 121.150 121.223 0.031 0.000 2.141 463 L HA 0.137 4.477 4.340 -0.000 0.000 0.209 463 L C 1.219 178.110 176.870 0.035 0.000 1.094 463 L CA 1.858 56.707 54.840 0.016 0.000 0.763 463 L CB -0.238 41.813 42.059 -0.012 0.000 0.908 463 L HN 0.631 nan 8.230 nan 0.000 0.437 464 V N -4.952 115.031 119.914 0.115 0.000 3.542 464 V HA 0.322 4.442 4.120 -0.000 0.000 0.296 464 V C 0.099 176.445 176.094 0.420 0.000 1.364 464 V CA 0.225 62.678 62.300 0.256 0.000 1.118 464 V CB -0.490 31.560 31.823 0.378 0.000 0.972 464 V HN 0.328 nan 8.190 nan 0.000 0.430 465 T N 1.507 116.243 114.554 0.304 0.000 3.009 465 T HA 0.347 4.697 4.350 -0.000 0.000 0.346 465 T C -1.120 173.698 174.700 0.197 0.000 1.092 465 T CA -0.047 62.207 62.100 0.257 0.000 1.080 465 T CB 1.175 70.170 68.868 0.211 0.000 1.037 465 T HN 0.316 nan 8.240 nan 0.000 0.487 466 D N 2.672 123.178 120.400 0.176 0.000 2.485 466 D HA 0.256 4.896 4.640 -0.000 0.000 0.221 466 D C 1.093 177.424 176.300 0.050 0.000 1.112 466 D CA -0.517 53.555 54.000 0.119 0.000 0.911 466 D CB 0.733 41.634 40.800 0.169 0.000 1.019 466 D HN 0.343 nan 8.370 nan 0.000 0.516 467 K N 2.067 122.500 120.400 0.055 0.000 2.076 467 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 467 K C 1.614 178.231 176.600 0.028 0.000 1.051 467 K CA 0.406 56.715 56.287 0.037 0.000 0.949 467 K CB 0.379 32.904 32.500 0.043 0.000 0.726 467 K HN 0.215 nan 8.250 nan 0.000 0.443 468 K N 1.165 121.585 120.400 0.034 0.000 2.113 468 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 468 K C 1.824 178.438 176.600 0.023 0.000 1.047 468 K CA 1.675 57.979 56.287 0.028 0.000 0.928 468 K CB -0.060 32.458 32.500 0.031 0.000 0.716 468 K HN 0.021 nan 8.250 nan 0.000 0.446 469 S N 0.366 116.082 115.700 0.026 0.000 2.575 469 S HA 0.093 4.563 4.470 -0.000 0.000 0.215 469 S C 0.279 174.882 174.600 0.005 0.000 0.966 469 S CA -0.272 57.940 58.200 0.020 0.000 0.911 469 S CB 0.494 63.713 63.200 0.032 0.000 0.780 469 S HN 0.062 nan 8.310 nan 0.000 0.514 470 S N 1.954 117.654 115.700 -0.000 0.000 2.616 470 S HA 0.323 4.793 4.470 -0.000 0.000 0.277 470 S C 0.110 174.705 174.600 -0.009 0.000 1.234 470 S CA -0.619 57.573 58.200 -0.013 0.000 1.028 470 S CB 0.863 64.052 63.200 -0.017 0.000 0.988 470 S HN 0.235 nan 8.310 nan 0.000 0.522 471 K N 2.413 122.803 120.400 -0.015 0.000 2.291 471 K HA 0.146 4.466 4.320 -0.000 0.000 0.242 471 K C 0.595 177.182 176.600 -0.022 0.000 1.098 471 K CA -0.280 55.998 56.287 -0.015 0.000 1.036 471 K CB 0.597 33.087 32.500 -0.016 0.000 1.655 471 K HN 0.430 nan 8.250 nan 0.000 0.432 472 Q N 2.340 122.130 119.800 -0.017 0.000 2.197 472 Q HA -0.235 4.105 4.340 -0.000 0.000 0.207 472 Q C 1.851 177.834 176.000 -0.029 0.000 0.984 472 Q CA 1.850 57.641 55.803 -0.020 0.000 0.869 472 Q CB 0.152 28.884 28.738 -0.010 0.000 0.906 472 Q HN 0.558 nan 8.270 nan 0.000 0.426 473 E N 0.007 120.192 120.200 -0.025 0.000 2.333 473 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 473 E C 1.528 178.103 176.600 -0.041 0.000 1.007 473 E CA 0.889 57.272 56.400 -0.028 0.000 0.845 473 E CB -0.452 29.237 29.700 -0.019 0.000 0.766 473 E HN 0.528 nan 8.360 nan 0.000 0.507 474 L N 0.277 121.471 121.223 -0.049 0.000 2.465 474 L HA 0.108 4.447 4.340 -0.000 0.000 0.224 474 L C 1.159 177.954 176.870 -0.124 0.000 1.145 474 L CA 0.785 55.584 54.840 -0.069 0.000 0.834 474 L CB -0.122 41.901 42.059 -0.060 0.000 0.944 474 L HN 0.131 nan 8.230 nan 0.000 0.451 475 A N -0.430 122.318 122.820 -0.120 0.000 3.124 475 A HA 0.298 4.618 4.320 -0.000 0.000 0.295 475 A C 0.700 178.226 177.584 -0.097 0.000 1.199 475 A CA -0.586 51.348 52.037 -0.172 0.000 0.845 475 A CB 0.192 19.065 19.000 -0.212 0.000 1.381 475 A HN 0.119 nan 8.150 nan 0.000 0.537 476 K N 0.296 120.652 120.400 -0.074 0.000 2.283 476 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 476 K C 0.374 176.953 176.600 -0.036 0.000 1.048 476 K CA 1.062 57.323 56.287 -0.045 0.000 0.948 476 K CB 0.102 32.581 32.500 -0.035 0.000 0.742 476 K HN 0.510 nan 8.250 nan 0.000 0.458 477 N N 0.262 118.941 118.700 -0.035 0.000 2.321 477 N HA 0.078 4.818 4.740 -0.000 0.000 0.242 477 N C -0.828 174.674 175.510 -0.014 0.000 1.141 477 N CA 0.059 53.094 53.050 -0.025 0.000 0.864 477 N CB 0.679 39.149 38.487 -0.030 0.000 1.100 477 N HN 0.056 nan 8.380 nan 0.000 0.510 478 C N 1.416 120.702 119.300 -0.024 0.000 3.276 478 C HA 0.311 4.771 4.460 -0.000 0.000 0.226 478 C C 0.681 175.679 174.990 0.012 0.000 1.502 478 C CA -0.878 58.134 59.018 -0.010 0.000 1.488 478 C CB -0.636 27.103 27.740 -0.002 0.000 2.014 478 C HN 0.003 nan 8.230 nan 0.000 0.492 479 V N 2.335 122.253 119.914 0.007 0.000 2.485 479 V HA 0.039 4.159 4.120 -0.000 0.000 0.287 479 V C 0.741 176.861 176.094 0.045 0.000 1.022 479 V CA 0.363 62.673 62.300 0.016 0.000 1.067 479 V CB 0.555 32.382 31.823 0.007 0.000 0.967 479 V HN 0.511 nan 8.190 nan 0.000 0.479 480 V N 5.813 125.754 119.914 0.045 0.000 2.584 480 V HA 0.306 4.426 4.120 -0.000 0.000 0.303 480 V C 1.489 177.643 176.094 0.100 0.000 1.035 480 V CA 1.704 64.044 62.300 0.067 0.000 1.172 480 V CB -0.059 31.789 31.823 0.041 0.000 0.896 480 V HN 1.307 nan 8.190 nan 0.000 0.486 481 G N 3.517 112.413 108.800 0.159 0.000 2.195 481 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.224 481 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.224 481 G C 0.272 175.277 174.900 0.176 0.000 0.990 481 G CA 0.240 45.462 45.100 0.204 0.000 0.639 481 G HN 1.209 nan 8.290 nan 0.000 0.514 482 T N -1.419 113.228 114.554 0.154 0.000 2.950 482 T HA 0.698 5.048 4.350 -0.000 0.000 0.288 482 T C 0.343 175.055 174.700 0.020 0.000 1.035 482 T CA -0.040 62.114 62.100 0.091 0.000 1.028 482 T CB 1.784 70.654 68.868 0.004 0.000 1.109 482 T HN 1.012 nan 8.240 nan 0.000 0.514 483 R N 0.430 120.767 120.500 -0.271 0.000 2.537 483 R HA 0.307 4.647 4.340 -0.000 0.000 0.280 483 R C -0.610 175.590 176.300 -0.167 0.000 1.058 483 R CA -0.634 55.120 56.100 -0.578 0.000 1.057 483 R CB -0.751 29.132 30.300 -0.696 0.000 0.973 483 R HN 0.610 nan 8.270 nan 0.000 0.438 484 F N 3.148 122.989 119.950 -0.181 0.000 2.518 484 F HA 0.098 4.625 4.527 -0.000 0.000 0.375 484 F C 0.554 176.381 175.800 0.046 0.000 1.097 484 F CA 0.184 58.172 58.000 -0.020 0.000 1.108 484 F CB 0.308 39.306 39.000 -0.004 0.000 1.078 484 F HN 0.614 nan 8.300 nan 0.000 0.564 485 K N 4.739 124.956 120.400 -0.305 0.000 2.350 485 K HA 0.133 4.453 4.320 -0.000 0.000 0.279 485 K C 0.291 176.848 176.600 -0.072 0.000 1.027 485 K CA -0.386 55.801 56.287 -0.167 0.000 0.969 485 K CB 0.828 33.219 32.500 -0.180 0.000 0.954 485 K HN 0.644 nan 8.250 nan 0.000 0.474 486 S N 3.048 118.752 115.700 0.007 0.000 2.572 486 S HA 0.086 4.555 4.470 -0.000 0.000 0.279 486 S C -0.833 173.680 174.600 -0.146 0.000 1.341 486 S CA -0.308 57.949 58.200 0.094 0.000 1.043 486 S CB 0.538 63.750 63.200 0.020 0.000 0.887 486 S HN 0.548 nan 8.310 nan 0.000 0.516 487 Q N 2.276 121.951 119.800 -0.208 0.000 2.416 487 Q HA 0.431 4.771 4.340 -0.000 0.000 0.281 487 Q C -2.865 172.921 176.000 -0.357 0.000 1.067 487 Q CA -2.205 53.276 55.803 -0.537 0.000 0.809 487 Q CB 1.437 29.354 28.738 -1.368 0.000 1.418 487 Q HN 0.402 nan 8.270 nan 0.000 0.411 488 P HA 0.069 nan 4.420 nan 0.000 0.267 488 P C -0.556 176.472 177.300 -0.453 0.000 1.205 488 P CA 0.024 62.747 63.100 -0.630 0.000 0.765 488 P CB 0.593 31.925 31.700 -0.614 0.000 0.828 489 V N 1.139 120.786 119.914 -0.444 0.000 3.167 489 V HA 0.662 4.782 4.120 -0.000 0.000 0.310 489 V C -0.854 175.129 176.094 -0.184 0.000 1.207 489 V CA -1.047 61.144 62.300 -0.183 0.000 1.059 489 V CB 2.275 34.112 31.823 0.023 0.000 1.079 489 V HN 0.097 nan 8.190 nan 0.000 0.446 490 V N 1.747 121.638 119.914 -0.038 0.000 2.350 490 V HA 0.507 4.627 4.120 -0.000 0.000 0.285 490 V C 0.336 176.468 176.094 0.063 0.000 1.014 490 V CA -0.502 61.794 62.300 -0.007 0.000 0.831 490 V CB 1.077 32.845 31.823 -0.091 0.000 1.000 490 V HN 0.982 nan 8.190 nan 0.000 0.433 491 R N 2.085 122.663 120.500 0.130 0.000 2.522 491 R HA 0.044 4.384 4.340 -0.000 0.000 0.284 491 R C 1.188 177.478 176.300 -0.017 0.000 1.032 491 R CA 0.254 56.374 56.100 0.033 0.000 1.049 491 R CB 0.244 30.583 30.300 0.064 0.000 0.956 491 R HN 0.812 nan 8.270 nan 0.000 0.422 492 H N 1.580 120.566 119.070 -0.139 0.000 2.395 492 H HA -0.127 4.429 4.556 -0.000 0.000 0.299 492 H C 2.012 177.353 175.328 0.022 0.000 1.070 492 H CA 2.225 58.251 56.048 -0.038 0.000 1.356 492 H CB 0.326 30.079 29.762 -0.015 0.000 1.401 492 H HN 0.833 nan 8.280 nan 0.000 0.524 493 S N 0.397 116.221 115.700 0.206 0.000 2.380 493 S HA -0.265 4.205 4.470 -0.000 0.000 0.229 493 S C 1.778 176.448 174.600 0.116 0.000 1.050 493 S CA 1.759 60.072 58.200 0.188 0.000 1.100 493 S CB -0.164 63.138 63.200 0.169 0.000 0.984 493 S HN 0.794 nan 8.310 nan 0.000 0.434 494 E N 0.186 120.442 120.200 0.093 0.000 2.641 494 E HA 0.279 4.629 4.350 -0.000 0.000 0.224 494 E C 1.090 177.769 176.600 0.132 0.000 0.951 494 E CA 0.609 57.072 56.400 0.105 0.000 1.102 494 E CB -0.011 29.747 29.700 0.097 0.000 1.091 494 E HN 0.997 nan 8.360 nan 0.000 0.507 495 G N 1.974 110.820 108.800 0.076 0.000 2.132 495 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.228 495 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.228 495 G C -0.185 174.801 174.900 0.143 0.000 1.000 495 G CA 0.180 45.310 45.100 0.049 0.000 0.693 495 G HN 0.314 nan 8.290 nan 0.000 0.515 496 L N 0.567 121.884 121.223 0.156 0.000 2.410 496 L HA 0.663 5.003 4.340 -0.000 0.000 0.273 496 L C 0.537 177.536 176.870 0.215 0.000 1.144 496 L CA -1.158 53.805 54.840 0.205 0.000 0.863 496 L CB 0.306 42.460 42.059 0.160 0.000 1.140 496 L HN 0.260 nan 8.230 nan 0.000 0.463 497 W N 8.568 129.904 121.300 0.059 0.000 2.287 497 W HA 0.553 5.213 4.660 -0.000 0.000 0.313 497 W C -0.773 175.684 176.519 -0.103 0.000 1.267 497 W CA -0.584 56.740 57.345 -0.035 0.000 1.201 497 W CB 0.656 30.096 29.460 -0.033 0.000 1.196 497 W HN 0.648 nan 8.180 nan 0.000 0.536 498 M N 3.538 122.730 119.600 -0.680 0.000 2.603 498 M HA 0.313 4.793 4.480 -0.000 0.000 0.275 498 M C -1.589 174.152 176.300 -0.932 0.000 1.226 498 M CA -1.100 53.780 55.300 -0.700 0.000 0.870 498 M CB 1.995 34.466 32.600 -0.215 0.000 1.716 498 M HN 0.351 nan 8.290 nan 0.000 0.482 499 H N 1.241 119.986 119.070 -0.541 0.000 2.955 499 H HA 0.149 4.705 4.556 -0.000 0.000 0.290 499 H C 0.195 175.398 175.328 -0.208 0.000 1.047 499 H CA 0.099 55.911 56.048 -0.395 0.000 1.484 499 H CB 0.448 30.024 29.762 -0.310 0.000 1.501 499 H HN 0.619 nan 8.280 nan 0.000 0.521 500 F N 2.963 122.814 119.950 -0.166 0.000 2.202 500 F HA -0.133 4.394 4.527 -0.000 0.000 0.301 500 F C 2.267 178.037 175.800 -0.050 0.000 1.082 500 F CA 1.632 59.552 58.000 -0.132 0.000 1.313 500 F CB -0.377 38.657 39.000 0.056 0.000 1.024 500 F HN 0.664 nan 8.300 nan 0.000 0.495 501 G N -0.400 108.403 108.800 0.004 0.000 2.501 501 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 501 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 501 G C 1.288 176.089 174.900 -0.164 0.000 1.114 501 G CA 1.004 46.067 45.100 -0.061 0.000 0.757 501 G HN 0.323 nan 8.290 nan 0.000 0.559 502 D N 0.076 120.379 120.400 -0.162 0.000 2.218 502 D HA -0.064 4.576 4.640 -0.000 0.000 0.204 502 D C 2.469 178.627 176.300 -0.237 0.000 0.976 502 D CA 0.609 54.528 54.000 -0.136 0.000 0.853 502 D CB -0.071 40.680 40.800 -0.081 0.000 0.939 502 D HN 0.200 nan 8.370 nan 0.000 0.481 503 R N 0.567 120.800 120.500 -0.444 0.000 2.235 503 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 503 R C 0.674 176.705 176.300 -0.450 0.000 1.059 503 R CA 0.337 56.130 56.100 -0.511 0.000 0.997 503 R CB -0.451 29.320 30.300 -0.881 0.000 0.884 503 R HN 0.135 nan 8.270 nan 0.000 0.462 504 L N 1.718 122.692 121.223 -0.415 0.000 2.727 504 L HA 0.243 4.583 4.340 -0.000 0.000 0.237 504 L C -0.424 176.346 176.870 -0.167 0.000 1.370 504 L CA -0.740 53.931 54.840 -0.281 0.000 1.248 504 L CB 0.414 42.333 42.059 -0.233 0.000 1.556 504 L HN -0.175 nan 8.230 nan 0.000 0.420 505 V N 0.402 120.225 119.914 -0.152 0.000 2.557 505 V HA -0.097 4.023 4.120 -0.000 0.000 0.301 505 V C 1.080 177.121 176.094 -0.087 0.000 1.026 505 V CA 0.526 62.766 62.300 -0.100 0.000 1.137 505 V CB 0.474 32.240 31.823 -0.095 0.000 0.917 505 V HN 0.493 nan 8.190 nan 0.000 0.484 506 T N 5.521 120.046 114.554 -0.048 0.000 2.727 506 T HA 0.296 4.646 4.350 -0.000 0.000 0.295 506 T C 0.342 174.989 174.700 -0.089 0.000 0.915 506 T CA 0.013 62.077 62.100 -0.060 0.000 1.066 506 T CB 0.082 68.976 68.868 0.044 0.000 0.891 506 T HN 1.025 nan 8.240 nan 0.000 0.516 507 D N 1.067 121.389 120.400 -0.131 0.000 2.640 507 D HA 0.252 4.892 4.640 -0.000 0.000 0.282 507 D C 1.196 177.366 176.300 -0.216 0.000 1.558 507 D CA -0.019 53.873 54.000 -0.179 0.000 0.820 507 D CB -0.369 40.349 40.800 -0.137 0.000 1.243 507 D HN 0.706 nan 8.370 nan 0.000 0.456 508 G N 0.432 109.158 108.800 -0.123 0.000 2.213 508 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.236 508 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.236 508 G C 0.265 175.175 174.900 0.017 0.000 0.991 508 G CA -0.312 44.814 45.100 0.043 0.000 0.629 508 G HN 0.427 nan 8.290 nan 0.000 0.517 509 R N -0.317 120.158 120.500 -0.041 0.000 2.490 509 R HA 0.646 4.986 4.340 -0.000 0.000 0.278 509 R C -0.107 176.183 176.300 -0.017 0.000 1.069 509 R CA -0.418 55.702 56.100 0.033 0.000 1.080 509 R CB 0.409 30.725 30.300 0.025 0.000 1.030 509 R HN 0.089 nan 8.270 nan 0.000 0.491 510 F N 0.694 120.640 119.950 -0.007 0.000 2.378 510 F HA 0.425 4.952 4.527 -0.000 0.000 0.325 510 F C 0.673 176.491 175.800 0.029 0.000 1.097 510 F CA -0.253 57.769 58.000 0.037 0.000 1.079 510 F CB 1.041 40.211 39.000 0.283 0.000 1.240 510 F HN 0.160 nan 8.300 nan 0.000 0.519 511 R N 1.218 121.840 120.500 0.204 0.000 2.711 511 R HA 0.616 4.956 4.340 -0.000 0.000 0.284 511 R C -1.325 175.053 176.300 0.130 0.000 0.968 511 R CA -0.558 55.598 56.100 0.093 0.000 0.924 511 R CB 1.402 31.662 30.300 -0.067 0.000 1.162 511 R HN 0.520 nan 8.270 nan 0.000 0.465 512 I N 4.107 124.742 120.570 0.109 0.000 2.359 512 I HA 0.307 4.477 4.170 -0.000 0.000 0.284 512 I C -0.495 175.617 176.117 -0.008 0.000 1.018 512 I CA -0.611 60.757 61.300 0.113 0.000 1.173 512 I CB 1.104 39.239 38.000 0.227 0.000 1.326 512 I HN 0.300 nan 8.210 nan 0.000 0.462 513 I N 7.615 128.093 120.570 -0.153 0.000 2.301 513 I HA 0.146 4.315 4.170 -0.000 0.000 0.292 513 I C 0.263 176.170 176.117 -0.350 0.000 1.046 513 I CA -0.487 60.597 61.300 -0.359 0.000 1.282 513 I CB 1.125 38.732 38.000 -0.655 0.000 1.409 513 I HN 0.137 nan 8.210 nan 0.000 0.484 514 V N 8.008 127.742 119.914 -0.301 0.000 2.322 514 V HA 0.172 4.292 4.120 -0.000 0.000 0.258 514 V C 0.068 175.984 176.094 -0.297 0.000 1.074 514 V CA -0.410 61.751 62.300 -0.232 0.000 0.909 514 V CB -0.401 31.385 31.823 -0.061 0.000 1.090 514 V HN 0.325 nan 8.190 nan 0.000 0.486 515 F N 3.574 123.417 119.950 -0.179 0.000 2.541 515 F HA 0.311 4.838 4.527 -0.000 0.000 0.347 515 F C 1.554 177.407 175.800 0.089 0.000 1.242 515 F CA -0.067 57.860 58.000 -0.121 0.000 1.123 515 F CB 0.603 39.399 39.000 -0.341 0.000 1.354 515 F HN 0.571 nan 8.300 nan 0.000 0.621 516 A N 2.941 125.940 122.820 0.298 0.000 2.125 516 A HA 0.261 4.581 4.320 -0.000 0.000 0.219 516 A C 1.980 179.763 177.584 0.331 0.000 1.156 516 A CA 1.039 53.264 52.037 0.312 0.000 0.671 516 A CB -1.113 18.140 19.000 0.423 0.000 0.794 516 A HN 1.002 nan 8.150 nan 0.000 0.459 517 G N -0.503 108.560 108.800 0.438 0.000 2.547 517 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.271 517 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.271 517 G C 0.228 175.217 174.900 0.148 0.000 1.209 517 G CA 0.411 45.670 45.100 0.265 0.000 0.959 517 G HN 0.843 nan 8.290 nan 0.000 0.563 518 K N 1.520 121.970 120.400 0.083 0.000 2.150 518 K HA 0.597 4.917 4.320 -0.000 0.000 0.261 518 K C 1.566 178.187 176.600 0.034 0.000 1.127 518 K CA 0.780 57.097 56.287 0.050 0.000 0.989 518 K CB -0.200 32.313 32.500 0.022 0.000 1.475 518 K HN 0.924 nan 8.250 nan 0.000 0.391 519 A N 2.345 125.186 122.820 0.035 0.000 2.067 519 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 519 A C 1.826 179.317 177.584 -0.155 0.000 1.158 519 A CA 1.831 53.822 52.037 -0.077 0.000 0.661 519 A CB -0.575 18.327 19.000 -0.164 0.000 0.801 519 A HN 0.806 nan 8.150 nan 0.000 0.452 520 T N -1.900 112.591 114.554 -0.105 0.000 3.035 520 T HA -0.021 4.329 4.350 -0.000 0.000 0.268 520 T C 0.580 175.241 174.700 -0.065 0.000 1.109 520 T CA 0.630 62.673 62.100 -0.095 0.000 1.119 520 T CB -0.564 68.270 68.868 -0.056 0.000 0.900 520 T HN 0.463 nan 8.240 nan 0.000 0.503 521 D N 0.812 121.187 120.400 -0.043 0.000 2.390 521 D HA 0.503 5.143 4.640 -0.000 0.000 0.249 521 D C 1.300 177.580 176.300 -0.033 0.000 1.144 521 D CA 0.284 54.268 54.000 -0.027 0.000 0.880 521 D CB 0.951 41.746 40.800 -0.009 0.000 1.182 521 D HN 0.123 nan 8.370 nan 0.000 0.451 522 A N 3.015 125.818 122.820 -0.028 0.000 1.902 522 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 522 A C 2.116 179.690 177.584 -0.016 0.000 1.181 522 A CA 1.753 53.773 52.037 -0.028 0.000 0.623 522 A CB -0.700 18.287 19.000 -0.022 0.000 0.818 522 A HN 0.679 nan 8.150 nan 0.000 0.443 523 T N -0.793 113.757 114.554 -0.007 0.000 2.821 523 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 523 T C 2.096 176.803 174.700 0.011 0.000 1.046 523 T CA 1.709 63.811 62.100 0.004 0.000 1.139 523 T CB -0.155 68.717 68.868 0.006 0.000 0.871 523 T HN 0.576 nan 8.240 nan 0.000 0.454 524 Q N 0.622 120.428 119.800 0.010 0.000 2.123 524 Q HA 0.067 4.407 4.340 -0.000 0.000 0.199 524 Q C 2.083 178.096 176.000 0.021 0.000 0.966 524 Q CA 1.131 56.948 55.803 0.024 0.000 0.845 524 Q CB -0.370 28.387 28.738 0.031 0.000 0.907 524 Q HN 0.355 nan 8.270 nan 0.000 0.439 525 M N -0.754 118.838 119.600 -0.013 0.000 2.296 525 M HA 0.022 4.502 4.480 -0.000 0.000 0.265 525 M C 1.848 178.148 176.300 -0.001 0.000 1.064 525 M CA 1.281 56.559 55.300 -0.036 0.000 1.109 525 M CB -0.362 32.180 32.600 -0.097 0.000 1.396 525 M HN 0.118 nan 8.290 nan 0.000 0.430 526 S N 0.050 115.756 115.700 0.010 0.000 2.368 526 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 526 S C 1.912 176.543 174.600 0.053 0.000 1.029 526 S CA 1.115 59.330 58.200 0.025 0.000 0.988 526 S CB -0.105 63.106 63.200 0.019 0.000 0.838 526 S HN 0.544 nan 8.310 nan 0.000 0.462 527 R N 0.572 121.106 120.500 0.058 0.000 2.075 527 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 527 R C 2.166 178.545 176.300 0.132 0.000 1.126 527 R CA 1.351 57.501 56.100 0.084 0.000 0.963 527 R CB -0.463 29.875 30.300 0.064 0.000 0.858 527 R HN 0.396 nan 8.270 nan 0.000 0.435 528 I N 1.115 121.759 120.570 0.124 0.000 2.179 528 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 528 I C 2.153 178.397 176.117 0.212 0.000 1.088 528 I CA 1.486 62.895 61.300 0.183 0.000 1.357 528 I CB -0.226 37.871 38.000 0.161 0.000 1.051 528 I HN 0.118 nan 8.210 nan 0.000 0.409 529 K N 0.706 121.185 120.400 0.130 0.000 2.148 529 K HA -0.217 4.103 4.320 -0.000 0.000 0.204 529 K C 2.147 178.817 176.600 0.117 0.000 1.050 529 K CA 1.209 57.558 56.287 0.105 0.000 0.942 529 K CB -0.118 32.414 32.500 0.052 0.000 0.724 529 K HN 0.210 nan 8.250 nan 0.000 0.446 530 K N 0.567 121.048 120.400 0.134 0.000 2.103 530 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 530 K C 1.898 178.618 176.600 0.200 0.000 1.052 530 K CA 0.927 57.295 56.287 0.135 0.000 0.945 530 K CB -0.162 32.408 32.500 0.117 0.000 0.722 530 K HN -0.005 nan 8.250 nan 0.000 0.443 531 F N 1.241 121.255 119.950 0.106 0.000 2.186 531 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 531 F C 2.343 178.253 175.800 0.183 0.000 1.090 531 F CA 1.673 59.764 58.000 0.152 0.000 1.307 531 F CB -0.506 38.570 39.000 0.127 0.000 1.019 531 F HN 0.171 nan 8.300 nan 0.000 0.489 532 S N 0.153 115.938 115.700 0.142 0.000 2.428 532 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 532 S C 2.181 176.748 174.600 -0.055 0.000 1.014 532 S CA 0.815 59.025 58.200 0.017 0.000 0.957 532 S CB -0.682 62.582 63.200 0.107 0.000 0.784 532 S HN 0.393 nan 8.310 nan 0.000 0.499 533 A N 0.397 123.215 122.820 -0.003 0.000 1.968 533 A HA 0.068 4.387 4.320 -0.000 0.000 0.217 533 A C 1.967 179.518 177.584 -0.055 0.000 1.169 533 A CA 1.244 53.268 52.037 -0.022 0.000 0.638 533 A CB -1.164 17.847 19.000 0.019 0.000 0.812 533 A HN 0.776 nan 8.150 nan 0.000 0.446 534 Y N 0.822 121.038 120.300 -0.141 0.000 2.097 534 Y HA -0.207 4.343 4.550 -0.000 0.000 0.282 534 Y C 1.859 177.621 175.900 -0.229 0.000 1.152 534 Y CA 1.955 59.947 58.100 -0.179 0.000 1.136 534 Y CB -0.539 37.793 38.460 -0.213 0.000 0.975 534 Y HN 0.192 nan 8.280 nan 0.000 0.498 535 L N 0.152 120.980 121.223 -0.659 0.000 2.043 535 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 535 L C 1.924 178.520 176.870 -0.457 0.000 1.075 535 L CA 1.746 56.190 54.840 -0.659 0.000 0.752 535 L CB -0.612 41.207 42.059 -0.400 0.000 0.891 535 L HN 0.227 nan 8.230 nan 0.000 0.432 536 D N -0.422 119.794 120.400 -0.306 0.000 2.317 536 D HA -0.034 4.606 4.640 -0.000 0.000 0.211 536 D C 1.270 177.441 176.300 -0.215 0.000 0.966 536 D CA 0.476 54.348 54.000 -0.214 0.000 0.876 536 D CB -0.038 40.680 40.800 -0.137 0.000 0.927 536 D HN 0.306 nan 8.370 nan 0.000 0.519 537 S N 0.317 115.862 115.700 -0.259 0.000 2.584 537 S HA 0.010 4.480 4.470 -0.000 0.000 0.270 537 S C 1.396 175.875 174.600 -0.201 0.000 1.346 537 S CA -0.526 57.558 58.200 -0.193 0.000 1.018 537 S CB 1.952 65.059 63.200 -0.154 0.000 0.899 537 S HN -0.101 nan 8.310 nan 0.000 0.542 538 E N 1.750 121.868 120.200 -0.137 0.000 2.114 538 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 538 E C 0.855 177.369 176.600 -0.143 0.000 1.008 538 E CA 2.007 58.333 56.400 -0.123 0.000 0.810 538 E CB -0.219 29.430 29.700 -0.085 0.000 0.739 538 E HN 0.739 nan 8.360 nan 0.000 0.456 539 N N 0.064 118.684 118.700 -0.134 0.000 2.234 539 N HA 0.055 4.795 4.740 -0.000 0.000 0.227 539 N C -0.469 174.964 175.510 -0.128 0.000 1.151 539 N CA 0.500 53.480 53.050 -0.117 0.000 0.865 539 N CB 0.569 39.026 38.487 -0.049 0.000 1.066 539 N HN 0.166 nan 8.380 nan 0.000 0.515 540 S N -0.243 115.289 115.700 -0.280 0.000 2.606 540 S HA 0.053 4.523 4.470 -0.000 0.000 0.257 540 S C 1.976 176.460 174.600 -0.192 0.000 1.327 540 S CA -0.384 57.550 58.200 -0.442 0.000 0.984 540 S CB 0.773 63.346 63.200 -1.045 0.000 0.941 540 S HN 0.008 nan 8.310 nan 0.000 0.576 541 V N -0.614 119.287 119.914 -0.021 0.000 2.626 541 V HA -0.085 4.035 4.120 -0.000 0.000 0.252 541 V C 2.052 178.109 176.094 -0.061 0.000 1.067 541 V CA 1.081 63.423 62.300 0.071 0.000 1.081 541 V CB -1.249 30.601 31.823 0.044 0.000 0.686 541 V HN 0.787 nan 8.190 nan 0.000 0.468 542 I N 1.305 121.769 120.570 -0.177 0.000 2.233 542 I HA -0.112 4.058 4.170 -0.000 0.000 0.243 542 I C 2.737 178.751 176.117 -0.171 0.000 1.093 542 I CA 1.828 63.026 61.300 -0.169 0.000 1.380 542 I CB -1.603 36.279 38.000 -0.197 0.000 1.067 542 I HN 0.341 nan 8.210 nan 0.000 0.413 543 S N 0.926 116.494 115.700 -0.220 0.000 2.402 543 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 543 S C 2.016 176.483 174.600 -0.222 0.000 1.021 543 S CA 0.945 59.023 58.200 -0.203 0.000 0.974 543 S CB -0.281 62.790 63.200 -0.215 0.000 0.800 543 S HN 0.270 nan 8.310 nan 0.000 0.484 544 L N -0.385 120.647 121.223 -0.317 0.000 2.131 544 L HA 0.099 4.439 4.340 -0.000 0.000 0.206 544 L C 1.311 177.833 176.870 -0.580 0.000 1.087 544 L CA 1.414 55.951 54.840 -0.506 0.000 0.767 544 L CB -0.175 41.413 42.059 -0.786 0.000 0.917 544 L HN 0.277 nan 8.230 nan 0.000 0.441 545 Y N -1.909 118.325 120.300 -0.110 0.000 2.458 545 Y HA 0.205 4.755 4.550 -0.000 0.000 0.256 545 Y C 0.963 176.814 175.900 -0.081 0.000 1.159 545 Y CA -0.168 57.874 58.100 -0.098 0.000 1.261 545 Y CB -0.243 38.128 38.460 -0.148 0.000 1.119 545 Y HN 0.037 nan 8.280 nan 0.000 0.524 546 T N 0.135 114.687 114.554 -0.003 0.000 2.767 546 T HA 0.438 4.788 4.350 -0.000 0.000 0.284 546 T C -2.904 171.779 174.700 -0.028 0.000 0.973 546 T CA -2.780 59.315 62.100 -0.009 0.000 0.996 546 T CB 1.712 70.559 68.868 -0.035 0.000 0.927 546 T HN -0.240 nan 8.240 nan 0.000 0.456 547 P HA 0.092 nan 4.420 nan 0.000 0.268 547 P C -0.224 177.057 177.300 -0.032 0.000 1.208 547 P CA -0.343 62.749 63.100 -0.014 0.000 0.777 547 P CB 0.390 32.092 31.700 0.003 0.000 0.875 548 K N 2.348 122.727 120.400 -0.035 0.000 2.489 548 K HA 0.028 4.348 4.320 -0.000 0.000 0.278 548 K C 0.094 176.674 176.600 -0.034 0.000 1.000 548 K CA 0.022 56.285 56.287 -0.040 0.000 1.012 548 K CB -0.226 32.251 32.500 -0.037 0.000 0.903 548 K HN 0.344 nan 8.250 nan 0.000 0.485 549 V N 0.396 120.286 119.914 -0.041 0.000 3.292 549 V HA -0.285 3.835 4.120 -0.000 0.000 0.184 549 V C 0.392 176.462 176.094 -0.040 0.000 0.459 549 V CA 1.431 63.706 62.300 -0.042 0.000 1.088 549 V CB -2.636 29.165 31.823 -0.037 0.000 1.239 549 V HN 0.777 nan 8.190 nan 0.000 1.148 550 S N -0.109 115.568 115.700 -0.038 0.000 2.632 550 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 550 S C 0.079 174.649 174.600 -0.049 0.000 1.260 550 S CA -0.233 57.947 58.200 -0.033 0.000 1.010 550 S CB 1.483 64.672 63.200 -0.020 0.000 0.965 550 S HN 0.629 nan 8.310 nan 0.000 0.534 551 D N 1.315 121.688 120.400 -0.046 0.000 2.458 551 D HA 0.038 4.678 4.640 -0.000 0.000 0.243 551 D C 0.693 176.951 176.300 -0.069 0.000 1.146 551 D CA 0.096 54.057 54.000 -0.065 0.000 0.877 551 D CB 0.544 41.316 40.800 -0.047 0.000 1.176 551 D HN 0.539 nan 8.370 nan 0.000 0.461 552 R N 2.549 122.986 120.500 -0.105 0.000 2.339 552 R HA 0.022 4.362 4.340 -0.000 0.000 0.199 552 R C 0.602 176.849 176.300 -0.089 0.000 1.018 552 R CA 0.244 56.280 56.100 -0.107 0.000 1.036 552 R CB 0.188 30.405 30.300 -0.139 0.000 0.899 552 R HN 0.340 nan 8.270 nan 0.000 0.473 553 N N -0.664 118.001 118.700 -0.058 0.000 2.200 553 N HA -0.005 4.735 4.740 -0.000 0.000 0.224 553 N C 0.602 176.143 175.510 0.051 0.000 1.179 553 N CA 0.221 53.285 53.050 0.023 0.000 0.877 553 N CB 1.135 39.685 38.487 0.105 0.000 1.072 553 N HN 0.130 nan 8.380 nan 0.000 0.519 554 S N -0.725 114.985 115.700 0.018 0.000 2.562 554 S HA 0.213 4.683 4.470 -0.000 0.000 0.221 554 S C 1.568 176.187 174.600 0.032 0.000 0.975 554 S CA 0.259 58.473 58.200 0.023 0.000 0.918 554 S CB 0.528 63.734 63.200 0.010 0.000 0.772 554 S HN 0.054 nan 8.310 nan 0.000 0.531 555 R N 0.068 120.589 120.500 0.034 0.000 2.437 555 R HA 0.509 4.849 4.340 -0.000 0.000 0.184 555 R C -0.137 176.204 176.300 0.068 0.000 0.850 555 R CA 0.324 56.459 56.100 0.059 0.000 1.073 555 R CB 0.138 30.469 30.300 0.052 0.000 1.336 555 R HN 0.378 nan 8.270 nan 0.000 0.640 556 I N 2.195 122.769 120.570 0.007 0.000 2.410 556 I HA 0.180 4.350 4.170 -0.000 0.000 0.286 556 I C -0.876 175.264 176.117 0.038 0.000 1.009 556 I CA -0.830 60.468 61.300 -0.003 0.000 1.111 556 I CB 2.062 39.942 38.000 -0.201 0.000 1.262 556 I HN -0.164 nan 8.210 nan 0.000 0.443 557 D N 6.595 127.047 120.400 0.087 0.000 2.347 557 D HA 0.258 4.898 4.640 -0.000 0.000 0.235 557 D C -0.708 175.679 176.300 0.145 0.000 1.149 557 D CA -0.125 53.950 54.000 0.126 0.000 0.850 557 D CB 1.389 42.245 40.800 0.093 0.000 1.061 557 D HN 0.088 nan 8.370 nan 0.000 0.487 558 V N 6.118 126.142 119.914 0.183 0.000 2.304 558 V HA 0.343 4.463 4.120 -0.000 0.000 0.269 558 V C 0.445 176.704 176.094 0.276 0.000 1.036 558 V CA -0.551 61.855 62.300 0.177 0.000 0.840 558 V CB 0.419 32.315 31.823 0.121 0.000 1.036 558 V HN 0.433 nan 8.190 nan 0.000 0.466 559 I N 3.700 124.387 120.570 0.196 0.000 2.441 559 I HA 0.469 4.639 4.170 -0.000 0.000 0.295 559 I C 0.225 176.380 176.117 0.062 0.000 0.994 559 I CA -0.144 61.289 61.300 0.221 0.000 1.144 559 I CB 2.252 40.379 38.000 0.211 0.000 1.314 559 I HN 0.413 nan 8.210 nan 0.000 0.445 560 T N 6.851 121.462 114.554 0.094 0.000 2.770 560 T HA 0.589 4.939 4.350 -0.000 0.000 0.283 560 T C -0.197 174.469 174.700 -0.057 0.000 0.988 560 T CA -0.276 61.798 62.100 -0.044 0.000 0.957 560 T CB 0.591 69.400 68.868 -0.098 0.000 0.930 560 T HN 0.262 nan 8.240 nan 0.000 0.443 561 I N 4.912 125.365 120.570 -0.197 0.000 2.382 561 I HA 0.362 4.532 4.170 -0.000 0.000 0.285 561 I C 0.262 176.472 176.117 0.156 0.000 1.007 561 I CA -0.957 60.265 61.300 -0.130 0.000 1.142 561 I CB 0.866 38.620 38.000 -0.411 0.000 1.289 561 I HN 0.769 nan 8.210 nan 0.000 0.453 562 H N 2.610 121.804 119.070 0.208 0.000 2.649 562 H HA 0.502 5.058 4.556 -0.000 0.000 0.337 562 H C 0.109 175.542 175.328 0.174 0.000 1.282 562 H CA -0.985 55.230 56.048 0.279 0.000 1.333 562 H CB 1.120 31.062 29.762 0.300 0.000 1.787 562 H HN 0.287 nan 8.280 nan 0.000 0.632 563 S N -0.580 115.243 115.700 0.206 0.000 2.540 563 S HA 0.199 4.669 4.470 -0.000 0.000 0.218 563 S C -0.123 174.575 174.600 0.163 0.000 0.977 563 S CA -0.272 57.883 58.200 -0.075 0.000 0.918 563 S CB -0.293 62.716 63.200 -0.319 0.000 0.806 563 S HN 0.563 nan 8.310 nan 0.000 0.496 564 C N 1.876 121.464 119.300 0.481 0.000 2.362 564 C HA 0.409 4.869 4.460 -0.000 0.000 0.363 564 C C 0.639 175.819 174.990 0.317 0.000 1.220 564 C CA -1.179 58.031 59.018 0.320 0.000 2.379 564 C CB 0.104 27.961 27.740 0.194 0.000 2.351 564 C HN 0.490 nan 8.230 nan 0.000 0.582 565 H N 1.726 120.873 119.070 0.127 0.000 2.652 565 H HA 0.110 4.666 4.556 -0.000 0.000 0.349 565 H C 1.265 176.619 175.328 0.044 0.000 1.099 565 H CA 0.319 56.391 56.048 0.040 0.000 1.417 565 H CB 0.716 30.474 29.762 -0.007 0.000 1.457 565 H HN 0.752 nan 8.280 nan 0.000 0.568 566 R N 2.245 122.565 120.500 -0.300 0.000 2.328 566 R HA -0.071 4.269 4.340 -0.000 0.000 0.207 566 R C 0.070 176.414 176.300 0.074 0.000 1.056 566 R CA 1.057 57.005 56.100 -0.254 0.000 1.016 566 R CB 0.161 29.993 30.300 -0.779 0.000 0.872 566 R HN 0.412 nan 8.270 nan 0.000 0.471 567 D N 1.214 121.841 120.400 0.377 0.000 2.317 567 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 567 D C 0.604 176.978 176.300 0.123 0.000 0.966 567 D CA 0.813 54.933 54.000 0.201 0.000 0.876 567 D CB 0.052 40.907 40.800 0.092 0.000 0.927 567 D HN 0.266 nan 8.370 nan 0.000 0.519 568 D N -0.322 120.163 120.400 0.140 0.000 2.360 568 D HA 0.185 4.825 4.640 -0.000 0.000 0.210 568 D C 0.620 176.943 176.300 0.039 0.000 1.047 568 D CA 0.043 54.087 54.000 0.072 0.000 0.854 568 D CB 1.646 42.490 40.800 0.072 0.000 0.936 568 D HN 0.223 nan 8.370 nan 0.000 0.514 569 I N 0.445 121.056 120.570 0.070 0.000 2.842 569 I HA 0.097 4.267 4.170 -0.000 0.000 0.297 569 I C -1.317 174.834 176.117 0.057 0.000 1.380 569 I CA -0.631 60.660 61.300 -0.016 0.000 1.018 569 I CB 2.326 40.253 38.000 -0.122 0.000 1.311 569 I HN -0.371 nan 8.210 nan 0.000 0.439 570 E N 5.881 125.986 120.200 -0.158 0.000 2.232 570 E HA 0.355 4.705 4.350 -0.000 0.000 0.265 570 E C 0.375 176.723 176.600 -0.419 0.000 1.001 570 E CA -0.657 55.573 56.400 -0.283 0.000 0.870 570 E CB 1.635 30.884 29.700 -0.751 0.000 1.175 570 E HN 0.641 nan 8.360 nan 0.000 0.407 571 M N 0.763 120.053 119.600 -0.517 0.000 2.159 571 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 571 M C 1.820 177.760 176.300 -0.600 0.000 1.063 571 M CA 1.444 56.385 55.300 -0.599 0.000 1.110 571 M CB -0.450 31.801 32.600 -0.582 0.000 1.374 571 M HN 0.519 nan 8.290 nan 0.000 0.411 572 H N -1.536 117.306 119.070 -0.380 0.000 2.563 572 H HA 0.009 4.564 4.556 -0.000 0.000 0.272 572 H C 0.216 175.460 175.328 -0.140 0.000 1.005 572 H CA 0.448 56.360 56.048 -0.226 0.000 1.171 572 H CB -0.452 29.221 29.762 -0.148 0.000 1.351 572 H HN 0.354 nan 8.280 nan 0.000 0.602 573 D N 0.574 120.837 120.400 -0.228 0.000 2.340 573 D HA 0.061 4.701 4.640 -0.000 0.000 0.220 573 D C -0.286 175.809 176.300 -0.341 0.000 1.039 573 D CA 0.174 54.025 54.000 -0.249 0.000 0.866 573 D CB -0.037 40.527 40.800 -0.392 0.000 0.913 573 D HN 0.244 nan 8.370 nan 0.000 0.523 574 F N 0.544 120.411 119.950 -0.138 0.000 2.432 574 F HA 0.346 4.873 4.527 -0.000 0.000 0.329 574 F C -1.846 173.955 175.800 0.002 0.000 1.076 574 F CA -2.801 55.164 58.000 -0.059 0.000 1.018 574 F CB 0.714 39.680 39.000 -0.057 0.000 1.201 574 F HN -0.352 nan 8.300 nan 0.000 0.489 575 P HA 0.132 nan 4.420 nan 0.000 0.261 575 P C -1.225 176.167 177.300 0.153 0.000 1.183 575 P CA 0.143 63.319 63.100 0.128 0.000 0.761 575 P CB 0.299 32.070 31.700 0.119 0.000 0.785 576 A N 5.786 128.667 122.820 0.102 0.000 2.330 576 A HA 0.581 4.901 4.320 -0.000 0.000 0.313 576 A C -2.018 175.609 177.584 0.073 0.000 1.124 576 A CA -1.310 50.799 52.037 0.121 0.000 0.774 576 A CB 1.313 20.296 19.000 -0.028 0.000 1.198 576 A HN 0.373 nan 8.150 nan 0.000 0.465 577 P HA 0.190 nan 4.420 nan 0.000 0.268 577 P C 1.079 178.354 177.300 -0.041 0.000 1.329 577 P CA 0.629 63.761 63.100 0.054 0.000 0.899 577 P CB 0.759 32.425 31.700 -0.056 0.000 1.378 578 A N 0.984 123.790 122.820 -0.023 0.000 1.883 578 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 578 A C 2.071 179.641 177.584 -0.023 0.000 1.186 578 A CA 1.560 53.569 52.037 -0.047 0.000 0.624 578 A CB -1.141 17.845 19.000 -0.022 0.000 0.822 578 A HN 0.237 nan 8.150 nan 0.000 0.444 579 L N -3.105 118.156 121.223 0.063 0.000 2.642 579 L HA 0.171 4.511 4.340 -0.000 0.000 0.233 579 L C 0.748 177.692 176.870 0.124 0.000 1.077 579 L CA 0.061 54.961 54.840 0.099 0.000 0.879 579 L CB 0.233 42.400 42.059 0.180 0.000 1.151 579 L HN 0.512 nan 8.230 nan 0.000 0.495 580 H N 1.527 120.620 119.070 0.038 0.000 2.645 580 H HA 0.377 4.933 4.556 -0.000 0.000 0.257 580 H C -2.709 172.722 175.328 0.171 0.000 1.269 580 H CA -2.696 53.420 56.048 0.113 0.000 1.409 580 H CB 0.831 30.703 29.762 0.183 0.000 1.434 580 H HN -0.140 nan 8.280 nan 0.000 0.505 581 P HA 0.050 nan 4.420 nan 0.000 0.272 581 P C -0.477 176.333 177.300 -0.816 0.000 1.223 581 P CA -0.382 62.415 63.100 -0.505 0.000 0.784 581 P CB 0.731 31.948 31.700 -0.804 0.000 0.923 582 K N 3.143 122.843 120.400 -1.166 0.000 2.419 582 K HA -0.050 4.270 4.320 -0.000 0.000 0.282 582 K C -0.210 175.388 176.600 -1.670 0.000 1.056 582 K CA 0.066 54.988 56.287 -2.276 0.000 1.035 582 K CB -0.346 31.117 32.500 -1.728 0.000 0.921 582 K HN 0.428 nan 8.250 nan 0.000 0.472 583 W N 1.420 121.591 121.300 -1.881 0.000 4.849 583 W HA -0.265 4.395 4.660 -0.000 0.000 0.358 583 W C -0.724 175.368 176.519 -0.713 0.000 1.331 583 W CA 0.428 57.213 57.345 -0.934 0.000 0.844 583 W CB -2.531 26.662 29.460 -0.444 0.000 2.434 583 W HN 0.630 nan 8.180 nan 0.000 1.458 584 Q N -0.794 118.522 119.800 -0.808 0.000 2.347 584 Q HA 0.462 4.802 4.340 -0.000 0.000 0.271 584 Q C -0.352 175.363 176.000 -0.475 0.000 1.064 584 Q CA -0.719 54.849 55.803 -0.392 0.000 0.800 584 Q CB 1.333 30.056 28.738 -0.024 0.000 1.304 584 Q HN 0.073 nan 8.270 nan 0.000 0.438 585 Y N 0.082 120.526 120.300 0.240 0.000 2.715 585 Y HA 0.237 4.787 4.550 -0.000 0.000 0.255 585 Y C -0.223 175.705 175.900 0.047 0.000 1.139 585 Y CA -0.374 57.847 58.100 0.202 0.000 1.151 585 Y CB 1.029 39.592 38.460 0.172 0.000 1.201 585 Y HN 0.559 nan 8.280 nan 0.000 0.556 586 D N -0.281 120.117 120.400 -0.004 0.000 2.772 586 D HA 0.211 4.851 4.640 -0.000 0.000 0.272 586 D C 0.194 176.152 176.300 -0.570 0.000 1.314 586 D CA 0.327 54.176 54.000 -0.252 0.000 0.835 586 D CB 0.039 40.657 40.800 -0.304 0.000 1.080 586 D HN 0.290 nan 8.370 nan 0.000 0.482 587 F N -0.218 119.739 119.950 0.011 0.000 2.699 587 F HA 0.337 4.864 4.527 -0.000 0.000 0.295 587 F C 0.908 176.710 175.800 0.002 0.000 1.052 587 F CA -0.004 58.049 58.000 0.089 0.000 1.239 587 F CB 1.098 40.132 39.000 0.055 0.000 1.018 587 F HN -0.171 nan 8.300 nan 0.000 0.627 588 I N 0.558 121.062 120.570 -0.109 0.000 2.355 588 I HA 0.266 4.436 4.170 -0.000 0.000 0.288 588 I C -1.221 174.645 176.117 -0.419 0.000 0.999 588 I CA -0.597 60.577 61.300 -0.210 0.000 1.163 588 I CB 0.832 38.671 38.000 -0.270 0.000 1.316 588 I HN -0.089 nan 8.210 nan 0.000 0.454 589 Y N 4.377 124.664 120.300 -0.020 0.000 2.562 589 Y HA 0.818 5.368 4.550 -0.000 0.000 0.343 589 Y C 0.187 175.922 175.900 -0.274 0.000 1.025 589 Y CA -1.005 57.063 58.100 -0.054 0.000 1.082 589 Y CB 1.947 40.397 38.460 -0.017 0.000 1.264 589 Y HN 0.505 nan 8.280 nan 0.000 0.478 590 A N 0.768 123.500 122.820 -0.146 0.000 2.393 590 A HA 0.472 4.792 4.320 -0.000 0.000 0.306 590 A C -1.582 175.885 177.584 -0.195 0.000 1.050 590 A CA -0.704 51.071 52.037 -0.437 0.000 0.724 590 A CB 1.050 19.785 19.000 -0.441 0.000 1.248 590 A HN 0.669 nan 8.150 nan 0.000 0.424 591 D N 1.561 121.878 120.400 -0.139 0.000 2.522 591 D HA 0.452 5.092 4.640 -0.000 0.000 0.218 591 D C -0.123 175.926 176.300 -0.419 0.000 1.149 591 D CA 0.134 54.061 54.000 -0.120 0.000 0.981 591 D CB -0.192 40.689 40.800 0.134 0.000 1.041 591 D HN 0.743 nan 8.370 nan 0.000 0.518 592 C N 1.440 120.446 119.300 -0.491 0.000 3.340 592 C HA 0.718 5.178 4.460 -0.000 0.000 0.333 592 C C -0.072 174.713 174.990 -0.342 0.000 1.464 592 C CA -1.185 57.545 59.018 -0.478 0.000 1.337 592 C CB 0.841 28.408 27.740 -0.289 0.000 1.740 592 C HN 0.487 nan 8.230 nan 0.000 0.450 593 D N 0.942 121.282 120.400 -0.099 0.000 2.362 593 D HA 0.576 5.216 4.640 -0.000 0.000 0.242 593 D C 0.316 176.548 176.300 -0.113 0.000 1.132 593 D CA 0.458 54.463 54.000 0.009 0.000 0.907 593 D CB 1.044 41.925 40.800 0.136 0.000 1.195 593 D HN 1.067 nan 8.370 nan 0.000 0.429 594 S N 1.249 116.887 115.700 -0.102 0.000 2.794 594 S HA 0.288 4.758 4.470 -0.000 0.000 0.299 594 S C 0.444 174.892 174.600 -0.255 0.000 1.179 594 S CA -1.038 57.002 58.200 -0.267 0.000 0.838 594 S CB 0.147 63.296 63.200 -0.085 0.000 1.206 594 S HN 0.715 nan 8.310 nan 0.000 0.523 595 W N 0.509 121.742 121.300 -0.112 0.000 2.335 595 W HA -0.065 4.595 4.660 -0.000 0.000 0.311 595 W C 1.959 178.155 176.519 -0.537 0.000 1.213 595 W CA 1.414 58.539 57.345 -0.367 0.000 1.274 595 W CB -0.441 28.664 29.460 -0.591 0.000 1.148 595 W HN 0.805 nan 8.180 nan 0.000 0.498 596 H N -3.804 115.330 119.070 0.107 0.000 2.652 596 H HA 0.205 4.761 4.556 -0.000 0.000 0.274 596 H C -0.067 174.963 175.328 -0.497 0.000 1.021 596 H CA 0.275 56.217 56.048 -0.176 0.000 1.187 596 H CB 0.157 29.779 29.762 -0.233 0.000 1.505 596 H HN -0.030 nan 8.280 nan 0.000 0.530 597 H N -0.207 118.759 119.070 -0.172 0.000 2.895 597 H HA 0.208 4.764 4.556 -0.000 0.000 0.373 597 H C -2.520 172.741 175.328 -0.112 0.000 1.174 597 H CA -1.907 53.975 56.048 -0.276 0.000 1.144 597 H CB 2.457 31.785 29.762 -0.724 0.000 1.793 597 H HN 0.059 nan 8.280 nan 0.000 0.551 598 P HA -0.026 nan 4.420 nan 0.000 0.275 598 P C 0.100 177.498 177.300 0.163 0.000 1.266 598 P CA -0.287 62.871 63.100 0.096 0.000 0.793 598 P CB 0.844 32.594 31.700 0.082 0.000 1.074 599 H N 2.274 121.382 119.070 0.064 0.000 3.157 599 H HA -0.000 4.556 4.556 -0.000 0.000 0.299 599 H C -1.316 174.061 175.328 0.082 0.000 0.961 599 H CA -0.874 55.216 56.048 0.070 0.000 1.428 599 H CB 0.159 29.948 29.762 0.045 0.000 1.459 599 H HN 0.192 nan 8.280 nan 0.000 0.566 600 P HA -0.064 nan 4.420 nan 0.000 0.233 600 P C -0.034 177.376 177.300 0.183 0.000 1.167 600 P CA 0.336 63.539 63.100 0.172 0.000 0.770 600 P CB 0.328 32.071 31.700 0.072 0.000 0.837 601 K N -0.443 120.212 120.400 0.425 0.000 3.244 601 K HA -0.108 4.212 4.320 -0.000 0.000 0.270 601 K C 0.872 177.542 176.600 0.117 0.000 1.016 601 K CA 0.399 56.848 56.287 0.270 0.000 0.754 601 K CB -2.623 29.946 32.500 0.114 0.000 1.326 601 K HN 0.172 nan 8.250 nan 0.000 0.465 602 S N -0.859 114.910 115.700 0.116 0.000 2.406 602 S HA 0.003 4.473 4.470 -0.000 0.000 0.224 602 S C 1.394 176.087 174.600 0.155 0.000 1.030 602 S CA 0.399 58.536 58.200 -0.104 0.000 0.958 602 S CB -0.101 62.950 63.200 -0.249 0.000 0.811 602 S HN 0.432 nan 8.310 nan 0.000 0.489 603 Y N 2.513 122.945 120.300 0.221 0.000 2.165 603 Y HA -0.148 4.402 4.550 -0.000 0.000 0.286 603 Y C 2.559 178.514 175.900 0.091 0.000 1.155 603 Y CA 1.098 59.337 58.100 0.231 0.000 1.164 603 Y CB -0.605 37.956 38.460 0.168 0.000 0.978 603 Y HN 0.316 nan 8.280 nan 0.000 0.513 604 Q N -1.000 118.926 119.800 0.210 0.000 2.084 604 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 604 Q C 2.491 178.497 176.000 0.011 0.000 0.978 604 Q CA 1.403 57.255 55.803 0.083 0.000 0.844 604 Q CB -0.318 28.448 28.738 0.047 0.000 0.898 604 Q HN 0.493 nan 8.270 nan 0.000 0.426 605 A N -0.274 122.511 122.820 -0.058 0.000 2.015 605 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 605 A C 1.334 178.827 177.584 -0.152 0.000 1.163 605 A CA 0.684 52.623 52.037 -0.164 0.000 0.646 605 A CB -0.524 18.292 19.000 -0.306 0.000 0.806 605 A HN 0.484 nan 8.150 nan 0.000 0.448 606 W N -0.734 120.467 121.300 -0.165 0.000 3.047 606 W HA 0.266 4.926 4.660 -0.000 0.000 0.250 606 W C 1.516 177.876 176.519 -0.265 0.000 1.314 606 W CA 0.744 57.928 57.345 -0.269 0.000 1.540 606 W CB -0.688 28.546 29.460 -0.377 0.000 1.127 606 W HN 0.591 nan 8.180 nan 0.000 0.679 607 G N 0.999 109.804 108.800 0.009 0.000 2.160 607 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.244 607 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.244 607 G C -0.352 174.493 174.900 -0.091 0.000 1.022 607 G CA 0.177 45.255 45.100 -0.037 0.000 0.741 607 G HN 0.001 nan 8.290 nan 0.000 0.508 608 V N -0.044 119.793 119.914 -0.129 0.000 2.547 608 V HA 0.494 4.614 4.120 -0.000 0.000 0.299 608 V C 0.464 176.584 176.094 0.044 0.000 1.040 608 V CA -0.541 61.635 62.300 -0.207 0.000 0.913 608 V CB 1.897 33.289 31.823 -0.718 0.000 0.992 608 V HN 0.426 nan 8.190 nan 0.000 0.449 609 D N 2.361 122.792 120.400 0.051 0.000 2.425 609 D HA 0.056 4.696 4.640 -0.000 0.000 0.247 609 D C 1.089 177.535 176.300 0.244 0.000 1.147 609 D CA 0.237 54.304 54.000 0.112 0.000 0.879 609 D CB 0.944 41.779 40.800 0.059 0.000 1.179 609 D HN 0.645 nan 8.370 nan 0.000 0.456 610 E N 1.564 121.862 120.200 0.162 0.000 2.268 610 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 610 E C 1.160 177.752 176.600 -0.014 0.000 0.995 610 E CA 0.889 57.291 56.400 0.003 0.000 0.836 610 E CB 0.261 29.925 29.700 -0.059 0.000 0.763 610 E HN 0.517 nan 8.360 nan 0.000 0.491 611 T N 0.138 114.721 114.554 0.048 0.000 3.004 611 T HA 0.032 4.382 4.350 -0.000 0.000 0.243 611 T C 1.671 176.420 174.700 0.081 0.000 1.020 611 T CA 0.341 62.468 62.100 0.044 0.000 1.145 611 T CB 0.218 69.104 68.868 0.029 0.000 0.876 611 T HN -0.101 nan 8.240 nan 0.000 0.449 612 K N 0.629 121.084 120.400 0.092 0.000 2.211 612 K HA 0.263 4.583 4.320 -0.000 0.000 0.201 612 K C 1.540 178.213 176.600 0.122 0.000 1.052 612 K CA 0.705 57.043 56.287 0.086 0.000 0.973 612 K CB -0.425 32.106 32.500 0.053 0.000 0.766 612 K HN 0.455 nan 8.250 nan 0.000 0.466 613 G N 0.905 109.822 108.800 0.195 0.000 2.569 613 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.259 613 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.259 613 G C -0.384 174.552 174.900 0.061 0.000 1.263 613 G CA 0.140 45.383 45.100 0.238 0.000 0.928 613 G HN 0.696 nan 8.290 nan 0.000 0.572 614 A N -3.395 119.463 122.820 0.063 0.000 2.452 614 A HA 0.729 5.049 4.320 -0.000 0.000 0.294 614 A C -1.133 176.478 177.584 0.046 0.000 1.010 614 A CA 0.433 52.468 52.037 -0.004 0.000 0.613 614 A CB 0.831 19.764 19.000 -0.113 0.000 1.363 614 A HN 2.118 nan 8.150 nan 0.000 0.463 615 V N 0.736 120.635 119.914 -0.026 0.000 2.443 615 V HA 0.592 4.712 4.120 -0.000 0.000 0.293 615 V C -0.701 175.388 176.094 -0.007 0.000 1.021 615 V CA -0.517 61.741 62.300 -0.070 0.000 0.848 615 V CB 1.346 33.054 31.823 -0.192 0.000 0.998 615 V HN 0.848 nan 8.190 nan 0.000 0.424 616 V N 5.529 125.449 119.914 0.010 0.000 2.487 616 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 616 V C -0.139 175.914 176.094 -0.069 0.000 1.028 616 V CA -0.718 61.579 62.300 -0.004 0.000 0.860 616 V CB 2.105 33.984 31.823 0.094 0.000 0.991 616 V HN 0.586 nan 8.190 nan 0.000 0.427 617 V N 5.774 125.644 119.914 -0.073 0.000 2.432 617 V HA 0.471 4.591 4.120 -0.000 0.000 0.275 617 V C -0.051 176.002 176.094 -0.070 0.000 1.043 617 V CA -0.318 61.945 62.300 -0.061 0.000 0.925 617 V CB 1.636 33.338 31.823 -0.202 0.000 0.985 617 V HN 0.623 nan 8.190 nan 0.000 0.466 618 V N 5.730 125.630 119.914 -0.022 0.000 2.604 618 V HA 0.504 4.624 4.120 -0.000 0.000 0.305 618 V C 0.266 176.358 176.094 -0.004 0.000 1.043 618 V CA -0.999 61.268 62.300 -0.055 0.000 0.888 618 V CB 2.042 33.719 31.823 -0.242 0.000 0.995 618 V HN 0.833 nan 8.190 nan 0.000 0.429 619 R N 4.029 124.475 120.500 -0.089 0.000 2.726 619 R HA 0.230 4.570 4.340 -0.000 0.000 0.272 619 R C -1.598 174.233 176.300 -0.782 0.000 1.097 619 R CA -1.195 54.593 56.100 -0.521 0.000 1.198 619 R CB 0.192 30.258 30.300 -0.390 0.000 1.114 619 R HN 0.433 nan 8.270 nan 0.000 0.550 620 P HA -0.161 nan 4.420 nan 0.000 0.219 620 P C 0.249 177.079 177.300 -0.784 0.000 1.146 620 P CA 1.237 63.711 63.100 -1.043 0.000 0.808 620 P CB 0.188 31.174 31.700 -1.189 0.000 0.779 621 D N -1.500 118.375 120.400 -0.874 0.000 2.348 621 D HA 0.004 4.644 4.640 -0.000 0.000 0.216 621 D C 1.568 177.927 176.300 0.098 0.000 0.970 621 D CA 1.234 55.033 54.000 -0.335 0.000 0.889 621 D CB -0.677 40.055 40.800 -0.114 0.000 0.912 621 D HN 0.116 nan 8.370 nan 0.000 0.524 622 G N -0.466 108.297 108.800 -0.062 0.000 2.148 622 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.254 622 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.254 622 G C -0.122 174.750 174.900 -0.046 0.000 0.981 622 G CA 0.148 45.235 45.100 -0.023 0.000 0.670 622 G HN 0.328 nan 8.290 nan 0.000 0.528 623 Y N 1.068 121.401 120.300 0.054 0.000 2.320 623 Y HA 0.533 5.083 4.550 -0.000 0.000 0.334 623 Y C 1.313 177.274 175.900 0.102 0.000 1.055 623 Y CA -0.208 57.964 58.100 0.120 0.000 1.143 623 Y CB 1.385 39.973 38.460 0.214 0.000 1.193 623 Y HN 0.060 nan 8.280 nan 0.000 0.477 624 T N 2.118 116.809 114.554 0.228 0.000 2.888 624 T HA 0.104 4.454 4.350 -0.000 0.000 0.301 624 T C 0.815 175.591 174.700 0.126 0.000 1.001 624 T CA 0.274 62.472 62.100 0.163 0.000 1.147 624 T CB 0.359 69.340 68.868 0.188 0.000 0.931 624 T HN 0.812 nan 8.240 nan 0.000 0.541 625 S N 2.119 117.824 115.700 0.008 0.000 2.687 625 S HA 0.408 4.878 4.470 -0.000 0.000 0.247 625 S C -0.175 174.254 174.600 -0.284 0.000 1.050 625 S CA -0.567 57.595 58.200 -0.063 0.000 1.063 625 S CB 0.101 63.289 63.200 -0.020 0.000 1.039 625 S HN 0.457 nan 8.310 nan 0.000 0.580 626 L N 1.075 122.130 121.223 -0.281 0.000 2.611 626 L HA 0.669 5.009 4.340 -0.000 0.000 0.260 626 L C -2.110 174.680 176.870 -0.134 0.000 0.924 626 L CA -0.398 54.282 54.840 -0.268 0.000 0.901 626 L CB 2.168 43.934 42.059 -0.488 0.000 1.369 626 L HN 0.000 nan 8.230 nan 0.000 0.415 627 V N 4.071 123.937 119.914 -0.080 0.000 2.443 627 V HA 0.838 4.958 4.120 -0.000 0.000 0.293 627 V C -0.180 175.887 176.094 -0.044 0.000 1.021 627 V CA 0.061 62.332 62.300 -0.050 0.000 0.848 627 V CB 1.654 33.455 31.823 -0.037 0.000 0.998 627 V HN 0.981 nan 8.190 nan 0.000 0.424 628 T N 1.844 116.373 114.554 -0.041 0.000 2.590 628 T HA 0.623 4.973 4.350 -0.000 0.000 0.282 628 T C -1.162 173.511 174.700 -0.044 0.000 0.989 628 T CA -0.870 61.210 62.100 -0.034 0.000 1.091 628 T CB 1.648 70.503 68.868 -0.021 0.000 1.460 628 T HN 0.647 nan 8.240 nan 0.000 0.499 629 D N -0.587 119.788 120.400 -0.041 0.000 2.506 629 D HA 0.474 5.114 4.640 -0.000 0.000 0.254 629 D C 1.066 177.311 176.300 -0.091 0.000 1.089 629 D CA -1.083 52.885 54.000 -0.054 0.000 1.050 629 D CB 0.330 41.115 40.800 -0.026 0.000 1.221 629 D HN 0.372 nan 8.370 nan 0.000 0.589 630 L N -0.803 120.349 121.223 -0.118 0.000 2.265 630 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 630 L C 1.554 178.471 176.870 0.077 0.000 1.117 630 L CA 1.335 56.080 54.840 -0.158 0.000 0.782 630 L CB -0.408 41.588 42.059 -0.105 0.000 0.914 630 L HN 0.389 nan 8.230 nan 0.000 0.441 631 E N -0.090 120.138 120.200 0.047 0.000 2.371 631 E HA -0.016 4.334 4.350 -0.000 0.000 0.194 631 E C 1.732 178.345 176.600 0.021 0.000 1.012 631 E CA 0.540 56.971 56.400 0.052 0.000 0.860 631 E CB -0.091 29.627 29.700 0.030 0.000 0.811 631 E HN 0.308 nan 8.360 nan 0.000 0.502 632 G N 1.094 109.902 108.800 0.014 0.000 3.397 632 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.248 632 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.248 632 G C 1.170 176.058 174.900 -0.021 0.000 1.284 632 G CA 0.609 45.709 45.100 -0.001 0.000 1.570 632 G HN 0.314 nan 8.290 nan 0.000 0.587 633 T N -2.490 111.992 114.554 -0.120 0.000 2.833 633 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 633 T C 2.508 177.056 174.700 -0.254 0.000 1.054 633 T CA 1.376 63.222 62.100 -0.424 0.000 1.135 633 T CB -0.060 68.186 68.868 -1.036 0.000 0.869 633 T HN 0.283 nan 8.240 nan 0.000 0.466 634 A N 1.676 124.429 122.820 -0.112 0.000 1.930 634 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 634 A C 2.238 179.841 177.584 0.031 0.000 1.175 634 A CA 1.506 53.532 52.037 -0.018 0.000 0.627 634 A CB -0.616 18.383 19.000 -0.001 0.000 0.815 634 A HN 0.545 nan 8.150 nan 0.000 0.443 635 E N -0.070 120.146 120.200 0.027 0.000 2.150 635 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 635 E C 1.727 178.391 176.600 0.105 0.000 0.985 635 E CA 0.950 57.383 56.400 0.055 0.000 0.814 635 E CB -0.254 29.463 29.700 0.030 0.000 0.752 635 E HN 0.710 nan 8.360 nan 0.000 0.466 636 I N 1.028 121.672 120.570 0.123 0.000 2.202 636 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 636 I C 1.561 177.902 176.117 0.374 0.000 1.091 636 I CA 0.997 62.452 61.300 0.258 0.000 1.368 636 I CB -0.180 37.993 38.000 0.288 0.000 1.058 636 I HN 0.069 nan 8.210 nan 0.000 0.410 637 D N 0.624 121.192 120.400 0.281 0.000 2.097 637 D HA -0.218 4.422 4.640 -0.000 0.000 0.195 637 D C 2.178 178.620 176.300 0.237 0.000 0.989 637 D CA 1.218 55.398 54.000 0.301 0.000 0.827 637 D CB -0.325 40.606 40.800 0.218 0.000 0.966 637 D HN 0.258 nan 8.370 nan 0.000 0.456 638 R N -0.450 120.147 120.500 0.161 0.000 2.081 638 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 638 R C 2.405 178.757 176.300 0.085 0.000 1.131 638 R CA 1.047 57.213 56.100 0.110 0.000 0.960 638 R CB -0.459 29.892 30.300 0.084 0.000 0.856 638 R HN 0.197 nan 8.270 nan 0.000 0.436 639 Y N 0.108 120.384 120.300 -0.040 0.000 2.145 639 Y HA -0.210 4.340 4.550 -0.000 0.000 0.286 639 Y C 1.508 177.234 175.900 -0.291 0.000 1.145 639 Y CA 1.873 59.854 58.100 -0.199 0.000 1.148 639 Y CB -0.345 37.919 38.460 -0.326 0.000 0.981 639 Y HN 0.027 nan 8.280 nan 0.000 0.507 640 F N -0.795 119.056 119.950 -0.164 0.000 2.293 640 F HA -0.087 4.439 4.527 -0.000 0.000 0.297 640 F C 2.632 178.235 175.800 -0.329 0.000 1.089 640 F CA 1.383 59.143 58.000 -0.401 0.000 1.377 640 F CB -0.791 38.018 39.000 -0.320 0.000 1.051 640 F HN -0.088 nan 8.300 nan 0.000 0.511 641 S N -0.238 115.505 115.700 0.073 0.000 2.399 641 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 641 S C 2.357 176.955 174.600 -0.003 0.000 1.022 641 S CA 1.207 59.472 58.200 0.108 0.000 0.983 641 S CB -0.802 62.471 63.200 0.123 0.000 0.803 641 S HN 0.489 nan 8.310 nan 0.000 0.480 642 G N 0.067 108.811 108.800 -0.095 0.000 2.712 642 G HA2 0.113 4.073 3.960 -0.000 0.000 0.212 642 G HA3 0.113 4.073 3.960 -0.000 0.000 0.212 642 G C 1.130 175.952 174.900 -0.129 0.000 1.142 642 G CA 0.222 45.262 45.100 -0.100 0.000 0.789 642 G HN 0.497 nan 8.290 nan 0.000 0.535 643 I N -0.612 119.837 120.570 -0.202 0.000 3.366 643 I HA 0.279 4.449 4.170 -0.000 0.000 0.267 643 I C 0.644 176.698 176.117 -0.106 0.000 1.149 643 I CA -0.041 61.162 61.300 -0.162 0.000 1.436 643 I CB 0.082 37.921 38.000 -0.269 0.000 1.379 643 I HN -0.109 nan 8.210 nan 0.000 0.460 644 L N 1.782 122.878 121.223 -0.211 0.000 2.375 644 L HA 0.345 4.685 4.340 -0.000 0.000 0.271 644 L C -0.536 176.332 176.870 -0.003 0.000 1.107 644 L CA -0.593 54.120 54.840 -0.211 0.000 0.806 644 L CB 1.541 43.166 42.059 -0.724 0.000 1.146 644 L HN -0.140 nan 8.230 nan 0.000 0.447 645 V N 1.488 121.456 119.914 0.091 0.000 2.407 645 V HA 0.142 4.262 4.120 -0.000 0.000 0.278 645 V C 0.266 176.516 176.094 0.261 0.000 1.037 645 V CA -0.652 61.743 62.300 0.158 0.000 0.900 645 V CB 1.370 33.250 31.823 0.095 0.000 0.983 645 V HN 0.732 nan 8.190 nan 0.000 0.459 646 E N 6.678 127.024 120.200 0.245 0.000 2.344 646 E HA 0.201 4.551 4.350 -0.000 0.000 0.270 646 E C -2.168 174.472 176.600 0.066 0.000 1.021 646 E CA -1.409 55.062 56.400 0.120 0.000 0.887 646 E CB 0.847 30.530 29.700 -0.028 0.000 0.997 646 E HN 0.478 nan 8.360 nan 0.000 0.429 647 P HA -0.044 nan 4.420 nan 0.000 0.269 647 P C -0.228 177.074 177.300 0.003 0.000 1.217 647 P CA 0.067 63.185 63.100 0.031 0.000 0.783 647 P CB 0.624 32.335 31.700 0.018 0.000 0.898 648 K N 0.235 120.639 120.400 0.006 0.000 2.063 648 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 648 K C 0.637 177.227 176.600 -0.016 0.000 1.048 648 K CA 1.453 57.739 56.287 -0.003 0.000 0.928 648 K CB -0.019 32.482 32.500 0.001 0.000 0.713 648 K HN 0.519 nan 8.250 nan 0.000 0.442 649 E N 1.517 121.706 120.200 -0.018 0.000 2.149 649 E HA 0.119 4.469 4.350 -0.000 0.000 0.255 649 E C -1.111 175.465 176.600 -0.040 0.000 0.888 649 E CA -0.375 56.008 56.400 -0.029 0.000 0.742 649 E CB 1.293 30.979 29.700 -0.022 0.000 1.164 649 E HN 0.169 nan 8.360 nan 0.000 0.422 650 K N 0.633 120.997 120.400 -0.060 0.000 2.168 650 K HA 0.133 4.453 4.320 -0.000 0.000 0.258 650 K C 1.201 177.753 176.600 -0.080 0.000 1.010 650 K CA -0.305 55.931 56.287 -0.085 0.000 0.929 650 K CB 0.849 33.274 32.500 -0.125 0.000 0.998 650 K HN 0.213 nan 8.250 nan 0.000 0.479 651 S N 0.892 116.538 115.700 -0.090 0.000 2.406 651 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 651 S C 0.974 175.516 174.600 -0.096 0.000 1.020 651 S CA 1.065 59.212 58.200 -0.087 0.000 0.965 651 S CB -0.787 62.358 63.200 -0.092 0.000 0.798 651 S HN 0.991 nan 8.310 nan 0.000 0.488 652 G N 0.424 109.156 108.800 -0.113 0.000 2.741 652 G HA2 0.084 4.044 3.960 -0.000 0.000 0.222 652 G HA3 0.084 4.044 3.960 -0.000 0.000 0.222 652 G C 0.020 174.847 174.900 -0.120 0.000 1.364 652 G CA -0.435 44.598 45.100 -0.112 0.000 0.866 652 G HN 1.339 nan 8.290 nan 0.000 0.555 653 A N -0.118 122.636 122.820 -0.111 0.000 2.531 653 A HA 0.474 4.794 4.320 -0.000 0.000 0.236 653 A C 0.966 178.486 177.584 -0.107 0.000 1.062 653 A CA 1.106 53.074 52.037 -0.115 0.000 0.760 653 A CB 0.433 19.377 19.000 -0.094 0.000 0.995 653 A HN 1.080 nan 8.150 nan 0.000 0.501 654 Q N 0.824 120.554 119.800 -0.118 0.000 2.274 654 Q HA 0.107 4.447 4.340 -0.000 0.000 0.280 654 Q C 0.996 176.945 176.000 -0.084 0.000 1.047 654 Q CA 1.280 57.019 55.803 -0.107 0.000 0.907 654 Q CB 0.642 29.313 28.738 -0.113 0.000 1.171 654 Q HN 0.858 nan 8.270 nan 0.000 0.381 655 T N -0.219 114.289 114.554 -0.077 0.000 2.971 655 T HA 0.144 4.494 4.350 -0.000 0.000 0.252 655 T C 0.574 175.241 174.700 -0.056 0.000 1.022 655 T CA -0.265 61.799 62.100 -0.061 0.000 0.980 655 T CB 0.218 69.053 68.868 -0.055 0.000 1.044 655 T HN 0.582 nan 8.240 nan 0.000 0.501 656 E N 1.757 121.917 120.200 -0.067 0.000 2.502 656 E HA 0.351 4.701 4.350 -0.000 0.000 0.261 656 E C 0.279 176.854 176.600 -0.040 0.000 0.974 656 E CA -0.254 56.108 56.400 -0.063 0.000 0.936 656 E CB 0.396 30.040 29.700 -0.094 0.000 0.926 656 E HN 0.541 nan 8.360 nan 0.000 0.459 657 A N 4.204 127.008 122.820 -0.027 0.000 2.406 657 A HA 0.001 4.320 4.320 -0.000 0.000 0.243 657 A C 0.039 177.626 177.584 0.005 0.000 1.082 657 A CA -0.267 51.763 52.037 -0.013 0.000 0.786 657 A CB 0.431 19.428 19.000 -0.005 0.000 1.029 657 A HN 0.782 nan 8.150 nan 0.000 0.495 658 D N 2.311 122.703 120.400 -0.012 0.000 2.389 658 D HA -0.057 4.583 4.640 -0.000 0.000 0.263 658 D C 1.391 177.666 176.300 -0.042 0.000 1.255 658 D CA -0.317 53.658 54.000 -0.041 0.000 0.914 658 D CB 0.178 40.928 40.800 -0.084 0.000 1.116 658 D HN 0.623 nan 8.370 nan 0.000 0.502 659 W N 3.437 124.662 121.300 -0.125 0.000 2.421 659 W HA -0.165 4.495 4.660 -0.000 0.000 0.270 659 W C 1.058 177.561 176.519 -0.026 0.000 1.233 659 W CA 1.314 58.577 57.345 -0.136 0.000 1.226 659 W CB -1.549 27.704 29.460 -0.345 0.000 1.121 659 W HN 0.432 nan 8.180 nan 0.000 0.579 660 T N -0.932 113.189 114.554 -0.723 0.000 3.055 660 T HA 0.001 4.351 4.350 -0.000 0.000 0.265 660 T C 1.343 175.871 174.700 -0.287 0.000 1.111 660 T CA 0.644 62.353 62.100 -0.651 0.000 1.118 660 T CB -0.292 68.126 68.868 -0.751 0.000 0.909 660 T HN -0.000 nan 8.240 nan 0.000 0.501 661 K N 2.496 122.784 120.400 -0.185 0.000 2.446 661 K HA 0.231 4.551 4.320 -0.000 0.000 0.203 661 K C 0.705 177.282 176.600 -0.038 0.000 1.027 661 K CA -0.057 56.164 56.287 -0.110 0.000 1.166 661 K CB 0.276 32.721 32.500 -0.093 0.000 0.869 661 K HN 0.570 nan 8.250 nan 0.000 0.504 662 S N 1.326 117.030 115.700 0.007 0.000 2.564 662 S HA -0.054 4.416 4.470 -0.000 0.000 0.263 662 S C 0.830 175.462 174.600 0.055 0.000 1.378 662 S CA 0.706 58.949 58.200 0.072 0.000 0.996 662 S CB -0.060 63.242 63.200 0.171 0.000 0.881 662 S HN 0.474 nan 8.310 nan 0.000 0.555 663 T N -3.736 110.860 114.554 0.069 0.000 5.142 663 T HA 0.244 4.594 4.350 -0.000 0.000 0.277 663 T C 0.240 174.962 174.700 0.036 0.000 1.934 663 T CA 0.383 62.515 62.100 0.053 0.000 3.354 663 T CB -2.814 66.078 68.868 0.039 0.000 1.135 663 T HN 2.668 nan 8.240 nan 0.000 1.058 664 A N 0.000 122.843 122.820 0.038 0.000 2.254 664 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 664 A CA 0.000 52.052 52.037 0.026 0.000 0.836 664 A CB 0.000 19.010 19.000 0.017 0.000 0.831 664 A HN 0.000 nan 8.150 nan 0.000 0.486