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 2wre_1_C DATA FIRST_RESID 8 DATA SEQUENCE cIGYHANNST EKVDTILERN VTVTHAKDIL EKTHNGKLcK LNGIPPLELG DATA SEQUENCE DcSIAGWLLG NPEcDRLLSV PEWSYIMEKE NPRDGLcYPG SFNDYEELKH DATA SEQUENCE LLSSVKHFEK VKILPKDRWT QHTTTGGSQA cAVSGNPSFF RNMVWLTKKG DATA SEQUENCE SNYPVAKGSY NNTSGEQMLI IWGVHHPIDE KEQRTLYQNV GTYVSVGTST DATA SEQUENCE LNKRSTPEIA TRPKVNGLGS RMEFSWTLLD MWDTINFEST GNLIAPEYGF DATA SEQUENCE KISKRGSSGI MKTEGTLENc ETKcQTPLGA INTTLPFHNV HPLTIGEcPK DATA SEQUENCE YVKSEKLVLA TGLRNVPXXX XXGLFGAIAG FIEGGWQGMV DGWYGYHHSN DATA SEQUENCE DQGSGYAADK ESTQKAFDGI TNKVNSVIEK MNTQFEAVGK EFSNLERRLE DATA SEQUENCE NLNKKMEDGF LDVWTYNAEL LVLMENERTL DFHDSNVKNL YDKVRMQLRD DATA SEQUENCE NVKELGNGcF EFYHKcDDEc MNSVKNGTYD YPKYEE 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 8 c HA 0.000 nan 4.570 nan 0.000 0.325 8 c C 0.000 174.527 174.090 0.728 0.000 1.270 8 c CA 0.000 56.693 56.329 0.606 0.000 1.963 8 c CB 0.000 42.835 42.510 0.541 0.000 2.134 9 I N 3.281 124.236 120.570 0.641 0.000 2.385 9 I HA 0.794 4.961 4.170 -0.005 0.000 0.294 9 I C 0.810 177.020 176.117 0.155 0.000 0.988 9 I CA 0.902 62.461 61.300 0.431 0.000 1.265 9 I CB 1.359 39.628 38.000 0.448 0.000 1.388 9 I HN 0.864 nan 8.210 nan 0.000 0.480 10 G N 4.417 113.113 108.800 -0.173 0.000 2.608 10 G HA2 0.604 4.561 3.960 -0.005 0.000 0.291 10 G HA3 0.604 4.561 3.960 -0.005 0.000 0.291 10 G C -1.862 172.706 174.900 -0.555 0.000 1.425 10 G CA -0.587 43.902 45.100 -1.019 0.000 0.787 10 G HN 0.453 nan 8.290 nan 0.000 0.484 11 Y N -1.625 118.313 120.300 -0.603 0.000 2.662 11 Y HA 0.827 5.373 4.550 -0.006 0.000 0.335 11 Y C -0.106 175.749 175.900 -0.076 0.000 1.066 11 Y CA -1.589 56.427 58.100 -0.140 0.000 1.116 11 Y CB 0.909 39.354 38.460 -0.026 0.000 1.308 11 Y HN 0.784 nan 8.280 nan 0.000 0.502 12 H N 0.812 120.012 119.070 0.217 0.000 2.511 12 H HA 0.762 5.316 4.556 -0.003 0.000 0.346 12 H C -1.204 174.215 175.328 0.151 0.000 1.128 12 H CA -0.003 56.150 56.048 0.176 0.000 1.342 12 H CB 1.043 30.962 29.762 0.262 0.000 1.470 12 H HN 1.020 nan 8.280 nan 0.000 0.546 13 A N 4.297 126.708 122.820 -0.682 0.000 2.515 13 A HA 0.523 4.841 4.320 -0.005 0.000 0.298 13 A C -1.239 175.942 177.584 -0.671 0.000 1.059 13 A CA -0.665 51.069 52.037 -0.505 0.000 0.698 13 A CB 1.333 20.206 19.000 -0.212 0.000 1.289 13 A HN 1.001 nan 8.150 nan 0.000 0.404 14 N N -0.038 118.457 118.700 -0.342 0.000 2.972 14 N HA 0.225 4.962 4.740 -0.005 0.000 0.262 14 N C -0.424 175.031 175.510 -0.092 0.000 1.478 14 N CA -0.500 52.450 53.050 -0.166 0.000 0.841 14 N CB 0.350 38.837 38.487 0.000 0.000 1.512 14 N HN 0.415 nan 8.380 nan 0.000 0.548 15 N N -1.009 117.662 118.700 -0.048 0.000 2.535 15 N HA -0.030 4.707 4.740 -0.005 0.000 0.203 15 N C -0.579 174.910 175.510 -0.036 0.000 1.301 15 N CA -0.060 52.968 53.050 -0.036 0.000 0.859 15 N CB -0.504 37.972 38.487 -0.018 0.000 1.055 15 N HN 0.460 nan 8.380 nan 0.000 0.457 16 S N -0.254 115.413 115.700 -0.054 0.000 2.565 16 S HA 0.332 4.799 4.470 -0.005 0.000 0.274 16 S C 0.694 175.268 174.600 -0.042 0.000 1.309 16 S CA -0.360 57.808 58.200 -0.052 0.000 1.043 16 S CB 0.524 63.669 63.200 -0.090 0.000 0.939 16 S HN 0.487 nan 8.310 nan 0.000 0.504 17 T N 0.757 115.294 114.554 -0.028 0.000 3.288 17 T HA 0.372 4.719 4.350 -0.005 0.000 0.293 17 T C -0.016 174.674 174.700 -0.016 0.000 1.008 17 T CA -0.489 61.598 62.100 -0.022 0.000 0.929 17 T CB -0.150 68.708 68.868 -0.016 0.000 1.152 17 T HN 0.605 nan 8.240 nan 0.000 0.517 18 E N 1.992 122.182 120.200 -0.016 0.000 2.313 18 E HA 0.304 4.651 4.350 -0.005 0.000 0.276 18 E C -0.397 176.198 176.600 -0.009 0.000 1.031 18 E CA -0.516 55.881 56.400 -0.006 0.000 0.857 18 E CB 0.509 30.212 29.700 0.005 0.000 1.040 18 E HN 0.129 nan 8.360 nan 0.000 0.408 19 K N 2.546 122.943 120.400 -0.005 0.000 2.207 19 K HA 0.400 4.717 4.320 -0.005 0.000 0.255 19 K C -0.591 176.007 176.600 -0.004 0.000 0.941 19 K CA -0.737 55.546 56.287 -0.008 0.000 0.825 19 K CB 1.737 34.232 32.500 -0.010 0.000 1.119 19 K HN 0.406 nan 8.250 nan 0.000 0.430 20 V N -1.615 118.296 119.914 -0.006 0.000 3.074 20 V HA 0.605 4.723 4.120 -0.005 0.000 0.314 20 V C -0.595 175.493 176.094 -0.010 0.000 1.117 20 V CA -0.953 61.345 62.300 -0.004 0.000 1.014 20 V CB 2.250 34.075 31.823 0.003 0.000 1.057 20 V HN 0.547 nan 8.190 nan 0.000 0.438 21 D N 0.950 121.342 120.400 -0.013 0.000 2.340 21 D HA 0.792 5.429 4.640 -0.005 0.000 0.243 21 D C -0.005 176.284 176.300 -0.018 0.000 0.988 21 D CA 0.141 54.130 54.000 -0.018 0.000 0.959 21 D CB 2.178 42.964 40.800 -0.024 0.000 1.226 21 D HN 1.123 nan 8.370 nan 0.000 0.509 22 T N -2.853 111.689 114.554 -0.020 0.000 2.778 22 T HA 0.301 4.648 4.350 -0.005 0.000 0.293 22 T C 1.124 175.808 174.700 -0.026 0.000 1.144 22 T CA -0.658 61.430 62.100 -0.020 0.000 1.010 22 T CB 0.671 69.532 68.868 -0.012 0.000 1.325 22 T HN 0.064 nan 8.240 nan 0.000 0.515 23 I N 0.554 121.107 120.570 -0.027 0.000 2.264 23 I HA -0.060 4.108 4.170 -0.005 0.000 0.248 23 I C 2.116 178.218 176.117 -0.026 0.000 1.111 23 I CA 1.566 62.848 61.300 -0.031 0.000 1.382 23 I CB -1.113 36.869 38.000 -0.030 0.000 1.060 23 I HN 0.606 nan 8.210 nan 0.000 0.418 24 L N -0.979 120.231 121.223 -0.022 0.000 2.357 24 L HA 0.112 4.450 4.340 -0.005 0.000 0.211 24 L C 0.663 177.521 176.870 -0.020 0.000 1.075 24 L CA 0.287 55.114 54.840 -0.021 0.000 0.830 24 L CB -0.167 41.880 42.059 -0.021 0.000 0.996 24 L HN 0.134 nan 8.230 nan 0.000 0.467 25 E N 0.454 120.642 120.200 -0.020 0.000 2.316 25 E HA 0.606 4.953 4.350 -0.005 0.000 0.258 25 E C -0.818 175.770 176.600 -0.020 0.000 0.952 25 E CA -0.882 55.507 56.400 -0.020 0.000 0.818 25 E CB 1.720 31.408 29.700 -0.020 0.000 1.260 25 E HN 0.070 nan 8.360 nan 0.000 0.416 26 R N 0.249 120.738 120.500 -0.019 0.000 2.817 26 R HA 0.439 4.776 4.340 -0.005 0.000 0.268 26 R C -0.827 175.463 176.300 -0.017 0.000 1.027 26 R CA -1.225 54.864 56.100 -0.018 0.000 0.928 26 R CB 0.478 30.767 30.300 -0.018 0.000 1.228 26 R HN 0.429 nan 8.270 nan 0.000 0.469 27 N N -0.398 118.292 118.700 -0.016 0.000 2.667 27 N HA -0.128 4.609 4.740 -0.005 0.000 0.263 27 N C -1.088 174.411 175.510 -0.018 0.000 1.038 27 N CA 0.568 53.609 53.050 -0.015 0.000 0.749 27 N CB -0.971 37.508 38.487 -0.014 0.000 0.892 27 N HN 0.415 nan 8.380 nan 0.000 0.546 28 V N 0.978 120.881 119.914 -0.019 0.000 2.277 28 V HA 0.186 4.303 4.120 -0.005 0.000 0.269 28 V C 0.669 176.747 176.094 -0.027 0.000 1.036 28 V CA -0.678 61.607 62.300 -0.024 0.000 0.821 28 V CB 1.254 33.062 31.823 -0.025 0.000 1.052 28 V HN 0.306 nan 8.190 nan 0.000 0.462 29 T N 5.104 119.641 114.554 -0.029 0.000 2.871 29 T HA 0.318 4.665 4.350 -0.005 0.000 0.296 29 T C 0.170 174.843 174.700 -0.046 0.000 0.998 29 T CA 0.056 62.136 62.100 -0.033 0.000 1.162 29 T CB 0.722 69.570 68.868 -0.034 0.000 0.947 29 T HN 0.695 nan 8.240 nan 0.000 0.536 30 V N 0.519 120.405 119.914 -0.045 0.000 3.113 30 V HA 0.662 4.780 4.120 -0.005 0.000 0.316 30 V C 1.168 177.217 176.094 -0.076 0.000 1.125 30 V CA -0.564 61.700 62.300 -0.060 0.000 1.026 30 V CB 1.410 33.212 31.823 -0.035 0.000 1.080 30 V HN 0.837 nan 8.190 nan 0.000 0.444 31 T N -1.400 113.096 114.554 -0.097 0.000 2.942 31 T HA 0.168 4.516 4.350 -0.005 0.000 0.265 31 T C 0.496 174.908 174.700 -0.480 0.000 1.062 31 T CA 1.390 63.355 62.100 -0.225 0.000 1.139 31 T CB -0.518 68.318 68.868 -0.054 0.000 0.883 31 T HN 0.908 nan 8.240 nan 0.000 0.468 32 H N -0.126 119.021 119.070 0.129 0.000 3.016 32 H HA 0.773 5.325 4.556 -0.006 0.000 0.362 32 H C -0.864 174.531 175.328 0.111 0.000 1.233 32 H CA -0.552 55.591 56.048 0.157 0.000 1.124 32 H CB 2.029 31.956 29.762 0.275 0.000 1.850 32 H HN 0.455 nan 8.280 nan 0.000 0.549 33 A N 1.434 124.389 122.820 0.225 0.000 2.594 33 A HA 0.595 4.912 4.320 -0.005 0.000 0.296 33 A C -1.680 175.974 177.584 0.117 0.000 1.061 33 A CA -0.804 51.318 52.037 0.141 0.000 0.689 33 A CB 1.838 20.890 19.000 0.087 0.000 1.280 33 A HN 0.325 nan 8.150 nan 0.000 0.406 34 K N 1.551 122.005 120.400 0.090 0.000 2.323 34 K HA 0.360 4.678 4.320 -0.005 0.000 0.259 34 K C -1.573 175.060 176.600 0.056 0.000 0.947 34 K CA -0.380 55.949 56.287 0.069 0.000 0.819 34 K CB 1.706 34.240 32.500 0.057 0.000 1.109 34 K HN 0.859 nan 8.250 nan 0.000 0.429 35 D N 3.885 124.316 120.400 0.051 0.000 2.277 35 D HA 0.116 4.753 4.640 -0.005 0.000 0.249 35 D C 0.793 177.124 176.300 0.052 0.000 1.134 35 D CA -0.361 53.667 54.000 0.047 0.000 0.863 35 D CB 0.723 41.547 40.800 0.041 0.000 1.143 35 D HN 0.583 nan 8.370 nan 0.000 0.458 36 I N 1.542 122.152 120.570 0.067 0.000 3.816 36 I HA 0.324 4.491 4.170 -0.005 0.000 0.334 36 I C -0.757 175.432 176.117 0.119 0.000 1.551 36 I CA -0.571 60.778 61.300 0.081 0.000 1.153 36 I CB 0.207 38.266 38.000 0.097 0.000 1.197 36 I HN 0.044 nan 8.210 nan 0.000 0.439 37 L N 1.792 123.074 121.223 0.099 0.000 2.296 37 L HA 0.548 4.885 4.340 -0.005 0.000 0.286 37 L C -0.100 176.828 176.870 0.098 0.000 1.023 37 L CA -0.177 54.731 54.840 0.113 0.000 0.812 37 L CB 1.404 43.505 42.059 0.070 0.000 1.223 37 L HN 0.108 nan 8.230 nan 0.000 0.421 38 E N 4.067 124.343 120.200 0.127 0.000 2.289 38 E HA 0.291 4.638 4.350 -0.005 0.000 0.278 38 E C -0.496 176.196 176.600 0.154 0.000 1.032 38 E CA 0.194 56.667 56.400 0.122 0.000 0.854 38 E CB 0.589 30.359 29.700 0.117 0.000 1.046 38 E HN 0.587 nan 8.360 nan 0.000 0.409 39 K N 1.288 121.761 120.400 0.123 0.000 2.684 39 K HA 0.233 4.550 4.320 -0.005 0.000 0.189 39 K C -0.792 175.892 176.600 0.140 0.000 1.154 39 K CA -0.466 55.904 56.287 0.138 0.000 1.109 39 K CB 0.512 33.069 32.500 0.095 0.000 0.826 39 K HN 0.303 nan 8.250 nan 0.000 0.501 40 T N 1.267 115.892 114.554 0.118 0.000 2.840 40 T HA 0.341 4.688 4.350 -0.005 0.000 0.287 40 T C -0.539 174.211 174.700 0.084 0.000 0.991 40 T CA -0.792 61.343 62.100 0.059 0.000 0.964 40 T CB 0.856 69.723 68.868 -0.002 0.000 0.954 40 T HN 0.400 nan 8.240 nan 0.000 0.438 41 H N 1.578 120.663 119.070 0.025 0.000 2.889 41 H HA 0.702 5.256 4.556 -0.003 0.000 0.279 41 H C 0.562 175.890 175.328 0.001 0.000 1.553 41 H CA -0.934 55.117 56.048 0.006 0.000 1.593 41 H CB 0.490 30.255 29.762 0.006 0.000 1.718 41 H HN 0.474 nan 8.280 nan 0.000 0.901 42 N N -2.068 116.661 118.700 0.048 0.000 2.241 42 N HA 0.168 4.905 4.740 -0.005 0.000 0.238 42 N C 0.886 176.434 175.510 0.064 0.000 1.244 42 N CA -0.036 53.000 53.050 -0.024 0.000 0.880 42 N CB 0.861 39.346 38.487 -0.002 0.000 1.179 42 N HN 1.094 nan 8.380 nan 0.000 0.513 43 G N 0.087 109.081 108.800 0.324 0.000 2.180 43 G HA2 -0.358 3.600 3.960 -0.005 0.000 0.263 43 G HA3 -0.358 3.600 3.960 -0.005 0.000 0.263 43 G C -0.379 174.593 174.900 0.120 0.000 0.989 43 G CA 0.803 46.080 45.100 0.294 0.000 0.692 43 G HN 0.520 nan 8.290 nan 0.000 0.526 44 K N -0.502 119.952 120.400 0.089 0.000 2.316 44 K HA 0.705 5.022 4.320 -0.005 0.000 0.251 44 K C 0.081 176.699 176.600 0.029 0.000 0.934 44 K CA -0.921 55.390 56.287 0.041 0.000 0.802 44 K CB 1.900 34.417 32.500 0.029 0.000 1.171 44 K HN 0.110 nan 8.250 nan 0.000 0.426 45 L N 2.508 123.745 121.223 0.023 0.000 2.307 45 L HA 0.539 4.876 4.340 -0.005 0.000 0.282 45 L C -0.477 176.429 176.870 0.060 0.000 1.051 45 L CA -0.826 54.041 54.840 0.045 0.000 0.804 45 L CB 1.001 43.087 42.059 0.044 0.000 1.197 45 L HN 0.727 nan 8.230 nan 0.000 0.431 46 c N 0.514 119.177 118.600 0.106 0.000 3.236 46 c HA 0.431 4.998 4.570 -0.005 0.000 0.312 46 c C -0.214 173.968 174.090 0.154 0.000 1.374 46 c CA -1.624 54.758 56.329 0.089 0.000 1.455 46 c CB 1.849 44.389 42.510 0.051 0.000 1.834 46 c HN 0.727 nan 8.230 nan 0.000 0.460 47 K N 0.434 120.894 120.400 0.100 0.000 2.440 47 K HA 0.306 4.623 4.320 -0.005 0.000 0.270 47 K C -0.988 175.700 176.600 0.146 0.000 0.980 47 K CA -0.142 56.218 56.287 0.120 0.000 0.953 47 K CB 0.219 32.760 32.500 0.068 0.000 0.925 47 K HN 0.426 nan 8.250 nan 0.000 0.497 48 L N 3.029 124.365 121.223 0.188 0.000 2.318 48 L HA 0.183 4.520 4.340 -0.005 0.000 0.277 48 L C -0.735 176.208 176.870 0.122 0.000 1.008 48 L CA 0.268 55.195 54.840 0.146 0.000 0.846 48 L CB -0.005 42.166 42.059 0.188 0.000 1.220 48 L HN 0.792 nan 8.230 nan 0.000 0.423 49 N N 3.436 122.184 118.700 0.079 0.000 2.776 49 N HA -0.188 4.549 4.740 -0.005 0.000 0.250 49 N C 0.804 176.347 175.510 0.055 0.000 1.112 49 N CA 0.769 53.858 53.050 0.066 0.000 0.733 49 N CB -1.154 37.384 38.487 0.085 0.000 1.097 49 N HN 1.108 nan 8.380 nan 0.000 0.558 50 G N -1.043 107.791 108.800 0.056 0.000 2.159 50 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.227 50 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.227 50 G C -0.087 174.845 174.900 0.052 0.000 0.986 50 G CA 0.183 45.310 45.100 0.045 0.000 0.651 50 G HN 0.413 nan 8.290 nan 0.000 0.523 51 I N 2.261 122.875 120.570 0.073 0.000 2.466 51 I HA 0.339 4.506 4.170 -0.005 0.000 0.289 51 I C -2.092 174.080 176.117 0.092 0.000 1.026 51 I CA -2.468 58.879 61.300 0.078 0.000 1.078 51 I CB 2.439 40.486 38.000 0.078 0.000 1.249 51 I HN -0.129 nan 8.210 nan 0.000 0.429 52 P HA 0.221 nan 4.420 nan 0.000 0.270 52 P C -2.706 174.546 177.300 -0.080 0.000 1.223 52 P CA -1.231 61.866 63.100 -0.007 0.000 0.785 52 P CB -0.081 31.608 31.700 -0.018 0.000 0.923 53 P HA 0.242 nan 4.420 nan 0.000 0.289 53 P C -0.657 176.361 177.300 -0.469 0.000 1.299 53 P CA -0.369 62.305 63.100 -0.711 0.000 0.766 53 P CB 0.289 31.215 31.700 -1.291 0.000 1.226 54 L N 0.123 120.942 121.223 -0.674 0.000 2.262 54 L HA 0.313 4.650 4.340 -0.005 0.000 0.288 54 L C -0.172 176.279 176.870 -0.699 0.000 1.035 54 L CA -0.015 54.307 54.840 -0.863 0.000 0.820 54 L CB 0.001 41.078 42.059 -1.636 0.000 1.204 54 L HN 0.202 nan 8.230 nan 0.000 0.424 55 E N 5.050 124.926 120.200 -0.540 0.000 2.152 55 E HA 0.185 4.532 4.350 -0.005 0.000 0.285 55 E C 0.277 176.601 176.600 -0.459 0.000 1.043 55 E CA -0.059 56.088 56.400 -0.422 0.000 0.839 55 E CB 1.079 30.603 29.700 -0.294 0.000 1.069 55 E HN 0.756 nan 8.360 nan 0.000 0.399 56 L N 2.643 123.610 121.223 -0.428 0.000 2.609 56 L HA 0.203 4.541 4.340 -0.005 0.000 0.230 56 L C 1.385 178.096 176.870 -0.264 0.000 1.087 56 L CA 0.280 54.865 54.840 -0.424 0.000 0.874 56 L CB -0.115 41.672 42.059 -0.453 0.000 1.114 56 L HN 0.864 nan 8.230 nan 0.000 0.488 57 G N 2.341 111.013 108.800 -0.213 0.000 2.596 57 G HA2 -0.421 3.536 3.960 -0.005 0.000 0.304 57 G HA3 -0.421 3.536 3.960 -0.005 0.000 0.304 57 G C 0.157 174.983 174.900 -0.124 0.000 1.189 57 G CA 0.641 45.653 45.100 -0.146 0.000 0.986 57 G HN 0.529 nan 8.290 nan 0.000 0.548 58 D N 0.179 120.522 120.400 -0.095 0.000 2.587 58 D HA 0.416 5.054 4.640 -0.005 0.000 0.233 58 D C 0.336 176.598 176.300 -0.064 0.000 1.213 58 D CA -0.175 53.782 54.000 -0.071 0.000 0.827 58 D CB -0.336 40.435 40.800 -0.048 0.000 1.006 58 D HN 0.498 nan 8.370 nan 0.000 0.490 59 c N 1.113 119.657 118.600 -0.093 0.000 2.358 59 c HA 0.686 5.254 4.570 -0.005 0.000 0.342 59 c C 0.758 174.800 174.090 -0.081 0.000 1.234 59 c CA -0.532 55.754 56.329 -0.073 0.000 1.969 59 c CB 0.648 43.104 42.510 -0.090 0.000 2.346 59 c HN 0.543 nan 8.230 nan 0.000 0.525 60 S N 3.738 119.422 115.700 -0.027 0.000 2.672 60 S HA 0.442 4.910 4.470 -0.005 0.000 0.276 60 S C 1.110 175.719 174.600 0.015 0.000 1.207 60 S CA -0.631 57.564 58.200 -0.008 0.000 1.002 60 S CB 0.501 63.718 63.200 0.028 0.000 0.998 60 S HN 0.631 nan 8.310 nan 0.000 0.542 61 I N 0.858 121.444 120.570 0.027 0.000 2.361 61 I HA -0.177 3.991 4.170 -0.005 0.000 0.251 61 I C 2.778 178.933 176.117 0.063 0.000 1.133 61 I CA 1.571 62.895 61.300 0.040 0.000 1.413 61 I CB -1.222 36.723 38.000 -0.091 0.000 1.073 61 I HN 0.841 nan 8.210 nan 0.000 0.424 62 A N 1.326 124.154 122.820 0.014 0.000 1.873 62 A HA -0.068 4.250 4.320 -0.005 0.000 0.215 62 A C 2.486 180.028 177.584 -0.070 0.000 1.186 62 A CA 1.740 53.669 52.037 -0.179 0.000 0.616 62 A CB -1.334 17.402 19.000 -0.440 0.000 0.823 62 A HN 0.427 nan 8.150 nan 0.000 0.442 63 G N -1.753 107.049 108.800 0.004 0.000 2.432 63 G HA2 -0.266 3.691 3.960 -0.005 0.000 0.219 63 G HA3 -0.266 3.691 3.960 -0.005 0.000 0.219 63 G C 1.344 176.325 174.900 0.134 0.000 1.135 63 G CA 1.118 46.261 45.100 0.072 0.000 0.767 63 G HN 0.640 nan 8.290 nan 0.000 0.550 64 W N 1.131 122.379 121.300 -0.087 0.000 2.380 64 W HA 0.099 4.756 4.660 -0.004 0.000 0.317 64 W C 2.342 178.830 176.519 -0.050 0.000 1.196 64 W CA 1.033 58.325 57.345 -0.087 0.000 1.307 64 W CB -0.652 28.716 29.460 -0.154 0.000 1.157 64 W HN 0.127 nan 8.180 nan 0.000 0.483 65 L N 0.094 121.188 121.223 -0.215 0.000 2.093 65 L HA -0.206 4.132 4.340 -0.005 0.000 0.208 65 L C 2.514 179.300 176.870 -0.139 0.000 1.085 65 L CA 1.097 55.701 54.840 -0.393 0.000 0.755 65 L CB -0.922 40.906 42.059 -0.385 0.000 0.904 65 L HN -0.015 nan 8.230 nan 0.000 0.435 66 L N -0.291 120.835 121.223 -0.162 0.000 2.291 66 L HA 0.008 4.345 4.340 -0.005 0.000 0.214 66 L C 1.148 178.004 176.870 -0.024 0.000 1.120 66 L CA 0.641 55.329 54.840 -0.253 0.000 0.799 66 L CB -0.690 40.932 42.059 -0.728 0.000 0.925 66 L HN 0.512 nan 8.230 nan 0.000 0.446 67 G N 1.396 110.209 108.800 0.022 0.000 2.401 67 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.283 67 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.283 67 G C -0.056 174.934 174.900 0.151 0.000 1.117 67 G CA 0.019 45.160 45.100 0.068 0.000 1.051 67 G HN 0.382 nan 8.290 nan 0.000 0.510 68 N N 0.996 119.806 118.700 0.183 0.000 2.454 68 N HA 0.160 4.897 4.740 -0.005 0.000 0.260 68 N C -0.058 175.473 175.510 0.034 0.000 1.218 68 N CA -1.353 51.756 53.050 0.098 0.000 0.904 68 N CB 1.078 39.630 38.487 0.108 0.000 1.065 68 N HN 0.180 nan 8.380 nan 0.000 0.462 69 P HA -0.136 nan 4.420 nan 0.000 0.224 69 P C 0.323 177.630 177.300 0.012 0.000 1.142 69 P CA 1.031 64.131 63.100 0.000 0.000 0.778 69 P CB 0.433 32.123 31.700 -0.017 0.000 0.764 70 E N -1.364 118.843 120.200 0.012 0.000 2.465 70 E HA 0.033 4.380 4.350 -0.005 0.000 0.191 70 E C 0.636 177.252 176.600 0.027 0.000 1.053 70 E CA 0.239 56.647 56.400 0.014 0.000 0.869 70 E CB -0.807 28.897 29.700 0.006 0.000 0.977 70 E HN 0.162 nan 8.360 nan 0.000 0.483 71 c N 0.272 118.903 118.600 0.052 0.000 3.243 71 c HA 0.236 4.803 4.570 -0.005 0.000 0.286 71 c C 1.342 175.489 174.090 0.095 0.000 1.373 71 c CA -0.810 55.569 56.329 0.084 0.000 1.749 71 c CB -0.244 42.361 42.510 0.157 0.000 2.313 71 c HN 0.317 nan 8.230 nan 0.000 0.644 72 D N 2.569 123.006 120.400 0.060 0.000 2.127 72 D HA -0.148 4.490 4.640 -0.005 0.000 0.190 72 D C 1.624 177.956 176.300 0.052 0.000 1.000 72 D CA 1.253 55.284 54.000 0.052 0.000 0.839 72 D CB -0.192 40.627 40.800 0.032 0.000 0.955 72 D HN 0.598 nan 8.370 nan 0.000 0.446 73 R N 0.958 121.478 120.500 0.033 0.000 3.657 73 R HA 0.310 4.647 4.340 -0.005 0.000 0.220 73 R C -0.198 176.107 176.300 0.008 0.000 1.548 73 R CA -0.127 55.985 56.100 0.021 0.000 1.465 73 R CB -0.167 30.138 30.300 0.008 0.000 1.330 73 R HN 0.177 nan 8.270 nan 0.000 0.707 74 L N 1.917 123.156 121.223 0.026 0.000 2.332 74 L HA 0.274 4.611 4.340 -0.005 0.000 0.269 74 L C 1.603 178.454 176.870 -0.031 0.000 1.016 74 L CA -0.951 53.872 54.840 -0.027 0.000 0.809 74 L CB 1.769 43.804 42.059 -0.039 0.000 1.280 74 L HN 0.425 nan 8.230 nan 0.000 0.447 75 L N 0.593 121.753 121.223 -0.105 0.000 1.956 75 L HA -0.181 4.156 4.340 -0.005 0.000 0.216 75 L C 0.795 177.643 176.870 -0.037 0.000 1.073 75 L CA 1.044 55.831 54.840 -0.090 0.000 0.762 75 L CB -0.183 41.785 42.059 -0.152 0.000 0.889 75 L HN 0.789 nan 8.230 nan 0.000 0.433 76 S N -0.748 114.906 115.700 -0.076 0.000 3.432 76 S HA -0.093 4.375 4.470 -0.005 0.000 0.521 76 S C -0.271 174.393 174.600 0.106 0.000 0.696 76 S CA 0.212 58.461 58.200 0.082 0.000 1.382 76 S CB -0.818 62.540 63.200 0.263 0.000 0.981 76 S HN 0.358 nan 8.310 nan 0.000 0.813 77 V N 2.659 122.627 119.914 0.091 0.000 3.109 77 V HA 0.774 4.891 4.120 -0.005 0.000 0.317 77 V C -0.696 175.590 176.094 0.320 0.000 1.074 77 V CA -1.033 61.367 62.300 0.166 0.000 1.033 77 V CB 1.220 33.124 31.823 0.135 0.000 1.111 77 V HN 0.469 nan 8.190 nan 0.000 0.458 78 P HA 0.129 nan 4.420 nan 0.000 0.235 78 P C 0.092 177.571 177.300 0.298 0.000 1.177 78 P CA 0.793 64.077 63.100 0.306 0.000 0.785 78 P CB 0.562 32.414 31.700 0.254 0.000 0.885 79 E N -0.330 120.037 120.200 0.279 0.000 2.343 79 E HA 0.368 4.716 4.350 -0.005 0.000 0.286 79 E C -1.811 174.902 176.600 0.189 0.000 0.915 79 E CA -0.899 55.566 56.400 0.109 0.000 0.784 79 E CB 1.292 31.039 29.700 0.078 0.000 1.251 79 E HN 0.043 nan 8.360 nan 0.000 0.407 80 W N 2.819 124.098 121.300 -0.035 0.000 3.032 80 W HA 0.613 5.270 4.660 -0.005 0.000 0.341 80 W C 0.022 176.512 176.519 -0.048 0.000 1.202 80 W CA -0.213 57.083 57.345 -0.082 0.000 1.132 80 W CB 0.691 30.047 29.460 -0.172 0.000 1.465 80 W HN 0.314 nan 8.180 nan 0.000 0.576 81 S N -0.671 115.168 115.700 0.231 0.000 2.539 81 S HA 0.334 4.801 4.470 -0.005 0.000 0.226 81 S C -0.114 174.730 174.600 0.407 0.000 1.054 81 S CA 0.578 58.917 58.200 0.231 0.000 0.910 81 S CB -0.400 62.974 63.200 0.289 0.000 0.818 81 S HN 0.883 nan 8.310 nan 0.000 0.490 82 Y N -0.840 119.595 120.300 0.224 0.000 2.840 82 Y HA 0.820 5.367 4.550 -0.005 0.000 0.324 82 Y C -1.484 174.460 175.900 0.074 0.000 1.378 82 Y CA -1.860 56.331 58.100 0.152 0.000 1.077 82 Y CB 0.795 39.285 38.460 0.049 0.000 1.361 82 Y HN -0.020 nan 8.280 nan 0.000 0.459 83 I N 2.444 123.007 120.570 -0.012 0.000 2.545 83 I HA 0.394 4.561 4.170 -0.005 0.000 0.292 83 I C -0.909 175.081 176.117 -0.212 0.000 1.040 83 I CA -0.920 60.208 61.300 -0.287 0.000 1.068 83 I CB 2.086 39.924 38.000 -0.269 0.000 1.251 83 I HN 0.534 nan 8.210 nan 0.000 0.424 84 M N 5.608 125.012 119.600 -0.326 0.000 2.238 84 M HA 0.468 4.945 4.480 -0.005 0.000 0.350 84 M C -0.651 175.514 176.300 -0.225 0.000 1.138 84 M CA -0.236 54.935 55.300 -0.214 0.000 1.040 84 M CB 1.620 34.081 32.600 -0.231 0.000 1.639 84 M HN 0.497 nan 8.290 nan 0.000 0.451 85 E N 2.189 122.295 120.200 -0.156 0.000 2.343 85 E HA 0.372 4.719 4.350 -0.005 0.000 0.278 85 E C -1.334 175.205 176.600 -0.101 0.000 0.910 85 E CA -0.678 55.634 56.400 -0.147 0.000 0.757 85 E CB 2.642 32.257 29.700 -0.142 0.000 1.218 85 E HN 0.552 nan 8.360 nan 0.000 0.435 86 K N 1.105 121.452 120.400 -0.089 0.000 2.149 86 K HA 0.089 4.406 4.320 -0.005 0.000 0.245 86 K C -0.113 176.459 176.600 -0.047 0.000 1.024 86 K CA -0.325 55.924 56.287 -0.063 0.000 0.899 86 K CB 0.437 32.904 32.500 -0.055 0.000 1.038 86 K HN 0.259 nan 8.250 nan 0.000 0.496 87 E N 2.360 122.540 120.200 -0.033 0.000 1.924 87 E HA 0.038 4.385 4.350 -0.005 0.000 0.261 87 E C -1.414 175.179 176.600 -0.011 0.000 1.088 87 E CA -0.143 56.245 56.400 -0.019 0.000 0.909 87 E CB -0.745 28.948 29.700 -0.012 0.000 1.112 87 E HN 0.499 nan 8.360 nan 0.000 0.425 88 N N 4.129 122.824 118.700 -0.008 0.000 3.165 88 N HA -0.090 4.647 4.740 -0.005 0.000 0.266 88 N C -2.320 173.185 175.510 -0.009 0.000 1.099 88 N CA 0.325 53.374 53.050 -0.001 0.000 0.668 88 N CB -1.194 37.296 38.487 0.004 0.000 1.087 88 N HN 0.403 nan 8.380 nan 0.000 0.577 89 P HA -0.025 nan 4.420 nan 0.000 0.220 89 P C 1.250 178.540 177.300 -0.017 0.000 1.152 89 P CA 0.784 63.869 63.100 -0.025 0.000 0.812 89 P CB 0.439 32.119 31.700 -0.033 0.000 0.792 90 R N -1.350 119.147 120.500 -0.006 0.000 1.337 90 R HA -0.121 4.216 4.340 -0.005 0.000 0.059 90 R C -0.794 175.508 176.300 0.004 0.000 0.946 90 R CA 1.798 57.898 56.100 -0.001 0.000 1.968 90 R CB -2.343 27.954 30.300 -0.005 0.000 0.304 90 R HN 0.178 nan 8.270 nan 0.000 0.721 91 D N 1.370 121.770 120.400 0.000 0.000 2.455 91 D HA 0.389 5.027 4.640 -0.005 0.000 0.234 91 D C 0.601 176.914 176.300 0.022 0.000 1.224 91 D CA 1.105 55.111 54.000 0.010 0.000 0.999 91 D CB 0.680 41.483 40.800 0.005 0.000 1.072 91 D HN 0.515 nan 8.370 nan 0.000 0.514 92 G N 1.009 109.829 108.800 0.033 0.000 2.890 92 G HA2 0.189 4.146 3.960 -0.005 0.000 0.199 92 G HA3 0.189 4.146 3.960 -0.005 0.000 0.199 92 G C 0.023 174.977 174.900 0.090 0.000 1.729 92 G CA -0.434 44.687 45.100 0.035 0.000 0.767 92 G HN 0.346 nan 8.290 nan 0.000 0.804 93 L N 3.081 124.358 121.223 0.092 0.000 2.384 93 L HA 0.122 4.459 4.340 -0.005 0.000 0.258 93 L C 2.132 179.136 176.870 0.223 0.000 1.266 93 L CA -0.561 54.402 54.840 0.205 0.000 1.162 93 L CB 0.025 42.186 42.059 0.170 0.000 1.375 93 L HN 0.704 nan 8.230 nan 0.000 0.420 94 c N 0.755 119.463 118.600 0.179 0.000 2.403 94 c HA -0.232 4.335 4.570 -0.005 0.000 0.279 94 c C 1.213 175.368 174.090 0.107 0.000 1.269 94 c CA 0.039 56.407 56.329 0.064 0.000 1.774 94 c CB -1.193 41.285 42.510 -0.054 0.000 1.993 94 c HN 0.587 nan 8.230 nan 0.000 0.496 95 Y N 4.417 124.772 120.300 0.092 0.000 2.341 95 Y HA 0.474 5.021 4.550 -0.005 0.000 0.340 95 Y C -1.921 174.107 175.900 0.214 0.000 0.997 95 Y CA -2.830 55.368 58.100 0.163 0.000 1.149 95 Y CB 0.782 39.376 38.460 0.224 0.000 1.171 95 Y HN 0.179 nan 8.280 nan 0.000 0.494 96 P HA 0.259 nan 4.420 nan 0.000 0.268 96 P C 0.008 177.488 177.300 0.299 0.000 1.208 96 P CA 0.664 63.860 63.100 0.161 0.000 0.777 96 P CB 1.405 33.125 31.700 0.034 0.000 0.875 97 G N 0.181 109.114 108.800 0.222 0.000 2.534 97 G HA2 0.428 4.385 3.960 -0.005 0.000 0.142 97 G HA3 0.428 4.385 3.960 -0.005 0.000 0.142 97 G C -1.053 173.947 174.900 0.166 0.000 1.178 97 G CA 0.290 45.520 45.100 0.217 0.000 1.037 97 G HN 0.910 nan 8.290 nan 0.000 0.474 98 S N -1.722 114.085 115.700 0.178 0.000 2.655 98 S HA 0.730 5.197 4.470 -0.005 0.000 0.266 98 S C -1.943 172.765 174.600 0.181 0.000 1.149 98 S CA -0.567 57.723 58.200 0.149 0.000 0.818 98 S CB 1.856 65.125 63.200 0.116 0.000 1.130 98 S HN 1.657 nan 8.310 nan 0.000 0.476 99 F N 1.770 121.737 119.950 0.028 0.000 2.941 99 F HA 0.431 4.956 4.527 -0.004 0.000 0.359 99 F C -0.537 175.339 175.800 0.127 0.000 1.231 99 F CA -0.627 57.396 58.000 0.040 0.000 1.089 99 F CB 1.288 40.176 39.000 -0.187 0.000 1.407 99 F HN 0.623 nan 8.300 nan 0.000 0.538 100 N N 4.575 123.459 118.700 0.306 0.000 2.412 100 N HA 0.003 4.740 4.740 -0.005 0.000 0.254 100 N C -0.200 175.600 175.510 0.482 0.000 1.232 100 N CA 0.919 54.133 53.050 0.274 0.000 0.880 100 N CB 0.393 38.924 38.487 0.073 0.000 1.076 100 N HN 0.615 nan 8.380 nan 0.000 0.458 101 D N 0.615 121.243 120.400 0.381 0.000 2.723 101 D HA -0.249 4.388 4.640 -0.005 0.000 0.236 101 D C 0.698 177.364 176.300 0.611 0.000 1.138 101 D CA 0.491 54.762 54.000 0.452 0.000 0.676 101 D CB -1.122 39.909 40.800 0.386 0.000 1.069 101 D HN 0.611 nan 8.370 nan 0.000 0.430 102 Y N 0.711 121.182 120.300 0.286 0.000 2.163 102 Y HA -0.156 4.392 4.550 -0.004 0.000 0.288 102 Y C 2.095 177.971 175.900 -0.040 0.000 1.136 102 Y CA 2.237 60.352 58.100 0.026 0.000 1.147 102 Y CB 0.023 38.455 38.460 -0.046 0.000 0.987 102 Y HN 0.023 nan 8.280 nan 0.000 0.509 103 E N 0.088 120.269 120.200 -0.033 0.000 2.077 103 E HA -0.174 4.174 4.350 -0.005 0.000 0.193 103 E C 2.151 178.691 176.600 -0.099 0.000 0.989 103 E CA 1.452 57.757 56.400 -0.158 0.000 0.800 103 E CB -0.176 29.507 29.700 -0.029 0.000 0.746 103 E HN 0.397 nan 8.360 nan 0.000 0.452 104 E N 0.175 120.415 120.200 0.066 0.000 2.085 104 E HA -0.182 4.165 4.350 -0.005 0.000 0.194 104 E C 2.070 178.703 176.600 0.056 0.000 0.994 104 E CA 0.611 57.100 56.400 0.149 0.000 0.801 104 E CB -0.275 29.619 29.700 0.324 0.000 0.743 104 E HN 0.171 nan 8.360 nan 0.000 0.453 105 L N 1.802 122.959 121.223 -0.109 0.000 2.079 105 L HA -0.192 4.146 4.340 -0.005 0.000 0.210 105 L C 1.915 178.531 176.870 -0.424 0.000 1.081 105 L CA 1.815 56.322 54.840 -0.554 0.000 0.752 105 L CB -0.245 41.290 42.059 -0.874 0.000 0.896 105 L HN 0.000 nan 8.230 nan 0.000 0.433 106 K N -1.895 118.269 120.400 -0.392 0.000 2.076 106 K HA -0.156 4.161 4.320 -0.005 0.000 0.204 106 K C 2.121 178.622 176.600 -0.165 0.000 1.051 106 K CA 1.067 57.154 56.287 -0.333 0.000 0.949 106 K CB -0.670 31.560 32.500 -0.451 0.000 0.726 106 K HN 0.487 nan 8.250 nan 0.000 0.443 107 H N 1.524 120.483 119.070 -0.186 0.000 2.422 107 H HA -0.108 4.445 4.556 -0.005 0.000 0.298 107 H C 2.108 177.390 175.328 -0.075 0.000 1.098 107 H CA 1.217 57.199 56.048 -0.109 0.000 1.315 107 H CB 0.187 29.900 29.762 -0.082 0.000 1.382 107 H HN 0.092 nan 8.280 nan 0.000 0.523 108 L N 0.513 121.677 121.223 -0.098 0.000 2.005 108 L HA -0.142 4.195 4.340 -0.005 0.000 0.207 108 L C 1.981 178.761 176.870 -0.150 0.000 1.072 108 L CA 1.217 55.985 54.840 -0.119 0.000 0.744 108 L CB -0.517 41.487 42.059 -0.091 0.000 0.895 108 L HN 0.165 nan 8.230 nan 0.000 0.433 109 L N -0.153 120.988 121.223 -0.136 0.000 2.552 109 L HA 0.030 4.368 4.340 -0.005 0.000 0.227 109 L C 2.578 179.511 176.870 0.105 0.000 1.146 109 L CA 1.408 56.225 54.840 -0.038 0.000 0.858 109 L CB -1.208 40.819 42.059 -0.053 0.000 0.969 109 L HN 0.534 nan 8.230 nan 0.000 0.451 110 S N -3.044 112.644 115.700 -0.020 0.000 2.469 110 S HA -0.018 4.450 4.470 -0.005 0.000 0.238 110 S C 0.990 175.659 174.600 0.115 0.000 0.998 110 S CA 0.619 58.848 58.200 0.049 0.000 0.957 110 S CB -0.133 63.023 63.200 -0.074 0.000 0.764 110 S HN 0.328 nan 8.310 nan 0.000 0.514 111 S N -0.850 114.793 115.700 -0.096 0.000 2.543 111 S HA 0.600 5.067 4.470 -0.005 0.000 0.273 111 S C -1.709 172.582 174.600 -0.514 0.000 1.152 111 S CA -0.576 57.446 58.200 -0.297 0.000 0.910 111 S CB 1.796 64.897 63.200 -0.164 0.000 1.105 111 S HN 0.258 nan 8.310 nan 0.000 0.465 112 V N 5.939 125.356 119.914 -0.829 0.000 2.655 112 V HA 0.444 4.562 4.120 -0.005 0.000 0.301 112 V C 0.807 176.591 176.094 -0.516 0.000 1.082 112 V CA -0.699 61.143 62.300 -0.763 0.000 0.899 112 V CB 1.922 32.917 31.823 -1.379 0.000 1.014 112 V HN 0.979 nan 8.190 nan 0.000 0.429 113 K N 2.858 123.111 120.400 -0.245 0.000 2.288 113 K HA 0.034 4.351 4.320 -0.005 0.000 0.201 113 K C 0.430 177.046 176.600 0.027 0.000 1.048 113 K CA 0.945 57.167 56.287 -0.107 0.000 0.956 113 K CB 0.152 32.619 32.500 -0.056 0.000 0.746 113 K HN 0.811 nan 8.250 nan 0.000 0.461 114 H N -1.645 117.361 119.070 -0.106 0.000 3.156 114 H HA 0.112 4.665 4.556 -0.005 0.000 0.319 114 H C -2.246 173.160 175.328 0.131 0.000 1.067 114 H CA -0.608 55.445 56.048 0.008 0.000 1.417 114 H CB 0.465 30.236 29.762 0.014 0.000 2.050 114 H HN -0.020 nan 8.280 nan 0.000 0.473 115 F N 3.178 122.819 119.950 -0.514 0.000 2.561 115 F HA 0.485 5.010 4.527 -0.004 0.000 0.321 115 F C -0.881 174.718 175.800 -0.334 0.000 1.065 115 F CA -0.386 57.450 58.000 -0.273 0.000 0.934 115 F CB 2.030 41.118 39.000 0.147 0.000 1.215 115 F HN 0.653 nan 8.300 nan 0.000 0.471 116 E N 4.447 124.294 120.200 -0.589 0.000 2.506 116 E HA 0.116 4.463 4.350 -0.005 0.000 0.308 116 E C -1.843 174.523 176.600 -0.390 0.000 0.931 116 E CA -0.781 55.417 56.400 -0.336 0.000 0.800 116 E CB 1.508 31.070 29.700 -0.230 0.000 1.292 116 E HN 0.559 nan 8.360 nan 0.000 0.401 117 K N 3.051 123.269 120.400 -0.303 0.000 2.205 117 K HA 0.490 4.808 4.320 -0.005 0.000 0.279 117 K C -1.306 175.129 176.600 -0.276 0.000 1.027 117 K CA -0.443 55.563 56.287 -0.470 0.000 0.932 117 K CB 1.640 33.869 32.500 -0.452 0.000 1.032 117 K HN 0.283 nan 8.250 nan 0.000 0.466 118 V N 4.458 124.212 119.914 -0.266 0.000 2.733 118 V HA 0.279 4.396 4.120 -0.005 0.000 0.306 118 V C -1.199 174.839 176.094 -0.093 0.000 1.084 118 V CA -0.944 61.284 62.300 -0.119 0.000 0.905 118 V CB 1.776 33.513 31.823 -0.143 0.000 1.010 118 V HN 0.844 nan 8.190 nan 0.000 0.424 119 K N 5.801 126.166 120.400 -0.059 0.000 2.349 119 K HA 0.347 4.664 4.320 -0.005 0.000 0.288 119 K C 0.773 177.174 176.600 -0.332 0.000 1.058 119 K CA 0.066 56.151 56.287 -0.337 0.000 0.953 119 K CB 0.778 33.050 32.500 -0.380 0.000 0.997 119 K HN 0.808 nan 8.250 nan 0.000 0.477 120 I N 1.877 122.196 120.570 -0.419 0.000 3.445 120 I HA 0.109 4.276 4.170 -0.005 0.000 0.288 120 I C 0.301 176.272 176.117 -0.245 0.000 1.198 120 I CA -0.100 60.898 61.300 -0.504 0.000 1.417 120 I CB 0.270 37.744 38.000 -0.876 0.000 1.205 120 I HN 0.345 nan 8.210 nan 0.000 0.448 121 L N 3.399 124.500 121.223 -0.203 0.000 2.556 121 L HA 0.521 4.858 4.340 -0.005 0.000 0.243 121 L C -2.478 174.316 176.870 -0.126 0.000 1.331 121 L CA -1.645 53.124 54.840 -0.119 0.000 0.927 121 L CB 0.687 42.738 42.059 -0.013 0.000 1.219 121 L HN -0.116 nan 8.230 nan 0.000 0.490 122 P HA -0.110 nan 4.420 nan 0.000 0.259 122 P C 0.744 178.020 177.300 -0.040 0.000 1.163 122 P CA 0.390 63.411 63.100 -0.132 0.000 0.760 122 P CB 0.593 32.225 31.700 -0.112 0.000 0.762 123 K N 3.370 123.784 120.400 0.024 0.000 2.228 123 K HA -0.237 4.081 4.320 -0.005 0.000 0.205 123 K C 0.630 177.344 176.600 0.189 0.000 1.045 123 K CA 1.744 58.134 56.287 0.171 0.000 0.931 123 K CB -0.062 32.502 32.500 0.107 0.000 0.727 123 K HN 0.451 nan 8.250 nan 0.000 0.458 124 D N -0.106 120.337 120.400 0.071 0.000 2.234 124 D HA -0.099 4.538 4.640 -0.005 0.000 0.205 124 D C 1.638 177.955 176.300 0.029 0.000 0.962 124 D CA 0.715 54.746 54.000 0.052 0.000 0.855 124 D CB -0.116 40.692 40.800 0.013 0.000 0.951 124 D HN 0.252 nan 8.370 nan 0.000 0.500 125 R N -0.223 120.244 120.500 -0.056 0.000 2.276 125 R HA -0.009 4.329 4.340 -0.005 0.000 0.203 125 R C 0.658 176.862 176.300 -0.160 0.000 1.017 125 R CA 0.131 56.140 56.100 -0.151 0.000 1.010 125 R CB -0.155 29.990 30.300 -0.259 0.000 0.900 125 R HN 0.223 nan 8.270 nan 0.000 0.469 126 W N 2.823 124.119 121.300 -0.007 0.000 2.423 126 W HA 0.004 4.661 4.660 -0.005 0.000 0.447 126 W C 0.662 177.202 176.519 0.035 0.000 0.711 126 W CA -0.264 57.092 57.345 0.018 0.000 2.283 126 W CB -0.525 28.934 29.460 -0.002 0.000 0.914 126 W HN -0.011 nan 8.180 nan 0.000 0.641 127 T N -2.542 112.111 114.554 0.165 0.000 2.716 127 T HA -0.100 4.247 4.350 -0.005 0.000 0.335 127 T C 0.942 175.683 174.700 0.068 0.000 1.081 127 T CA 0.509 62.662 62.100 0.089 0.000 1.073 127 T CB 0.731 69.612 68.868 0.022 0.000 0.993 127 T HN 0.503 nan 8.240 nan 0.000 0.547 128 Q N -1.245 118.527 119.800 -0.047 0.000 2.261 128 Q HA -0.203 4.134 4.340 -0.005 0.000 0.155 128 Q C -0.178 175.564 176.000 -0.431 0.000 0.598 128 Q CA 1.887 57.559 55.803 -0.218 0.000 1.376 128 Q CB -1.096 27.478 28.738 -0.273 0.000 1.356 128 Q HN 0.865 nan 8.270 nan 0.000 0.947 129 H N -0.537 118.497 119.070 -0.060 0.000 2.622 129 H HA 0.355 4.909 4.556 -0.005 0.000 0.363 129 H C -0.238 175.039 175.328 -0.084 0.000 1.151 129 H CA -0.333 55.634 56.048 -0.136 0.000 1.184 129 H CB 1.801 31.432 29.762 -0.218 0.000 1.643 129 H HN -0.083 nan 8.280 nan 0.000 0.531 130 T N 1.175 115.736 114.554 0.011 0.000 2.913 130 T HA 0.140 4.488 4.350 -0.005 0.000 0.297 130 T C 0.935 175.593 174.700 -0.069 0.000 1.029 130 T CA 0.215 62.286 62.100 -0.047 0.000 1.104 130 T CB 0.733 69.537 68.868 -0.107 0.000 0.964 130 T HN 0.618 nan 8.240 nan 0.000 0.532 131 T N 0.447 114.961 114.554 -0.066 0.000 2.993 131 T HA 0.051 4.399 4.350 -0.005 0.000 0.260 131 T C 1.908 176.569 174.700 -0.065 0.000 0.939 131 T CA 0.083 62.148 62.100 -0.059 0.000 0.886 131 T CB 0.209 69.089 68.868 0.021 0.000 1.209 131 T HN 0.762 nan 8.240 nan 0.000 0.518 132 T N 0.162 114.667 114.554 -0.083 0.000 3.194 132 T HA 0.286 4.633 4.350 -0.005 0.000 0.251 132 T C 1.260 175.876 174.700 -0.140 0.000 1.132 132 T CA -0.122 61.936 62.100 -0.070 0.000 1.028 132 T CB -0.367 68.469 68.868 -0.053 0.000 0.976 132 T HN 0.297 nan 8.240 nan 0.000 0.535 133 G N 0.126 108.771 108.800 -0.259 0.000 2.287 133 G HA2 0.450 4.407 3.960 -0.005 0.000 0.235 133 G HA3 0.450 4.407 3.960 -0.005 0.000 0.235 133 G C 0.232 174.957 174.900 -0.291 0.000 1.258 133 G CA -0.071 44.753 45.100 -0.461 0.000 0.884 133 G HN 0.699 nan 8.290 nan 0.000 0.518 134 G N -0.702 107.971 108.800 -0.211 0.000 2.870 134 G HA2 0.750 4.707 3.960 -0.005 0.000 0.299 134 G HA3 0.750 4.707 3.960 -0.005 0.000 0.299 134 G C -1.044 173.974 174.900 0.197 0.000 1.324 134 G CA 0.298 45.434 45.100 0.060 0.000 0.808 134 G HN 1.356 nan 8.290 nan 0.000 0.535 135 S N -1.991 113.882 115.700 0.289 0.000 2.552 135 S HA 0.344 4.811 4.470 -0.005 0.000 0.272 135 S C 0.435 175.150 174.600 0.191 0.000 1.150 135 S CA -0.172 58.211 58.200 0.306 0.000 0.849 135 S CB 1.857 65.411 63.200 0.590 0.000 1.113 135 S HN 0.635 nan 8.310 nan 0.000 0.458 136 Q N 2.512 122.391 119.800 0.131 0.000 2.119 136 Q HA 0.146 4.483 4.340 -0.005 0.000 0.201 136 Q C 2.045 178.080 176.000 0.058 0.000 0.972 136 Q CA 2.653 58.499 55.803 0.073 0.000 0.847 136 Q CB -0.671 28.095 28.738 0.047 0.000 0.903 136 Q HN 0.856 nan 8.270 nan 0.000 0.433 137 A N -0.817 122.039 122.820 0.061 0.000 1.948 137 A HA -0.176 4.141 4.320 -0.005 0.000 0.220 137 A C 1.626 179.222 177.584 0.020 0.000 1.177 137 A CA 1.515 53.563 52.037 0.018 0.000 0.636 137 A CB -0.702 18.270 19.000 -0.046 0.000 0.815 137 A HN 0.489 nan 8.150 nan 0.000 0.449 138 c N 0.776 119.405 118.600 0.048 0.000 2.339 138 c HA 0.641 5.208 4.570 -0.005 0.000 0.361 138 c C 1.164 175.257 174.090 0.005 0.000 1.378 138 c CA -0.941 55.366 56.329 -0.036 0.000 1.763 138 c CB -2.150 40.280 42.510 -0.134 0.000 2.632 138 c HN 0.602 nan 8.230 nan 0.000 0.576 139 A N 0.699 123.528 122.820 0.015 0.000 2.440 139 A HA 0.496 4.814 4.320 -0.005 0.000 0.251 139 A C -0.103 177.490 177.584 0.014 0.000 1.089 139 A CA 0.293 52.344 52.037 0.023 0.000 0.779 139 A CB 0.323 19.335 19.000 0.020 0.000 1.022 139 A HN 0.411 nan 8.150 nan 0.000 0.492 140 V N 3.510 123.436 119.914 0.021 0.000 2.304 140 V HA 0.346 4.463 4.120 -0.005 0.000 0.278 140 V C 0.459 176.564 176.094 0.017 0.000 1.018 140 V CA 0.483 62.794 62.300 0.018 0.000 0.814 140 V CB 0.416 32.254 31.823 0.024 0.000 1.021 140 V HN 1.754 nan 8.190 nan 0.000 0.440 141 S N 2.836 118.543 115.700 0.013 0.000 3.608 141 S HA -0.156 4.311 4.470 -0.005 0.000 0.382 141 S C 1.309 175.917 174.600 0.012 0.000 0.945 141 S CA 0.962 59.168 58.200 0.011 0.000 1.256 141 S CB -1.793 61.414 63.200 0.011 0.000 0.913 141 S HN 2.519 nan 8.310 nan 0.000 0.518 142 G N 0.553 109.360 108.800 0.012 0.000 2.347 142 G HA2 -0.337 3.620 3.960 -0.005 0.000 0.247 142 G HA3 -0.337 3.620 3.960 -0.005 0.000 0.247 142 G C -0.114 174.795 174.900 0.015 0.000 1.037 142 G CA 0.185 45.292 45.100 0.012 0.000 0.622 142 G HN 0.963 nan 8.290 nan 0.000 0.521 143 N N 2.510 121.221 118.700 0.018 0.000 2.419 143 N HA 0.476 5.213 4.740 -0.005 0.000 0.264 143 N C -2.832 172.698 175.510 0.033 0.000 1.031 143 N CA -1.314 51.749 53.050 0.022 0.000 0.951 143 N CB 1.274 39.773 38.487 0.020 0.000 1.101 143 N HN 0.103 nan 8.380 nan 0.000 0.488 144 P HA -0.034 nan 4.420 nan 0.000 0.261 144 P C 0.052 177.397 177.300 0.075 0.000 1.173 144 P CA 0.674 63.810 63.100 0.059 0.000 0.760 144 P CB 0.705 32.433 31.700 0.046 0.000 0.783 145 S N 2.547 118.315 115.700 0.113 0.000 3.952 145 S HA 0.821 5.288 4.470 -0.005 0.000 0.293 145 S C -1.602 173.168 174.600 0.283 0.000 1.090 145 S CA -0.278 58.011 58.200 0.148 0.000 1.264 145 S CB 0.300 63.558 63.200 0.096 0.000 1.393 145 S HN 0.280 nan 8.310 nan 0.000 0.757 146 F N -0.272 119.666 119.950 -0.020 0.000 3.031 146 F HA 0.434 4.958 4.527 -0.004 0.000 0.326 146 F C -2.008 173.727 175.800 -0.109 0.000 1.143 146 F CA -1.417 56.535 58.000 -0.080 0.000 0.871 146 F CB 0.268 39.328 39.000 0.100 0.000 1.377 146 F HN 0.540 nan 8.300 nan 0.000 0.462 147 F N 4.473 124.039 119.950 -0.640 0.000 2.571 147 F HA 0.213 4.738 4.527 -0.005 0.000 0.384 147 F C 1.619 177.383 175.800 -0.060 0.000 1.058 147 F CA -0.194 57.582 58.000 -0.373 0.000 1.200 147 F CB 0.253 38.921 39.000 -0.554 0.000 1.077 147 F HN 0.250 nan 8.300 nan 0.000 0.558 148 R N 1.988 122.573 120.500 0.141 0.000 2.153 148 R HA -0.217 4.120 4.340 -0.005 0.000 0.252 148 R C 1.102 177.521 176.300 0.198 0.000 1.158 148 R CA 1.323 57.507 56.100 0.141 0.000 0.975 148 R CB -0.441 29.894 30.300 0.057 0.000 0.871 148 R HN 0.597 nan 8.270 nan 0.000 0.450 149 N N -0.636 118.174 118.700 0.183 0.000 2.280 149 N HA 0.070 4.807 4.740 -0.005 0.000 0.192 149 N C 0.220 175.894 175.510 0.273 0.000 1.109 149 N CA 0.349 53.549 53.050 0.250 0.000 0.855 149 N CB 0.423 38.990 38.487 0.133 0.000 0.974 149 N HN 0.084 nan 8.380 nan 0.000 0.482 150 M N 0.144 119.907 119.600 0.271 0.000 2.821 150 M HA 0.464 4.942 4.480 -0.005 0.000 0.304 150 M C -0.394 176.149 176.300 0.405 0.000 1.233 150 M CA -0.937 54.543 55.300 0.300 0.000 0.851 150 M CB 1.867 34.637 32.600 0.284 0.000 1.723 150 M HN -0.428 nan 8.290 nan 0.000 0.493 151 V N 0.756 120.853 119.914 0.305 0.000 2.525 151 V HA 0.307 4.424 4.120 -0.005 0.000 0.299 151 V C -1.473 174.671 176.094 0.084 0.000 1.034 151 V CA -0.695 61.707 62.300 0.171 0.000 0.863 151 V CB 2.379 34.203 31.823 0.002 0.000 0.999 151 V HN 0.847 nan 8.190 nan 0.000 0.423 152 W N 6.779 127.926 121.300 -0.255 0.000 2.360 152 W HA 0.510 5.167 4.660 -0.004 0.000 0.344 152 W C -0.546 175.774 176.519 -0.331 0.000 1.025 152 W CA -1.531 55.570 57.345 -0.407 0.000 1.480 152 W CB 0.674 29.661 29.460 -0.790 0.000 1.350 152 W HN 0.455 nan 8.180 nan 0.000 0.382 153 L N 7.205 128.459 121.223 0.051 0.000 2.369 153 L HA 0.178 4.515 4.340 -0.005 0.000 0.279 153 L C 1.022 177.974 176.870 0.137 0.000 1.108 153 L CA 0.360 55.131 54.840 -0.115 0.000 0.852 153 L CB 0.075 41.862 42.059 -0.453 0.000 1.169 153 L HN 0.297 nan 8.230 nan 0.000 0.452 154 T N -0.205 114.337 114.554 -0.019 0.000 2.907 154 T HA 0.404 4.752 4.350 -0.005 0.000 0.290 154 T C -0.379 174.391 174.700 0.117 0.000 1.066 154 T CA -1.260 60.796 62.100 -0.074 0.000 1.012 154 T CB 1.788 70.356 68.868 -0.501 0.000 1.184 154 T HN 0.540 nan 8.240 nan 0.000 0.522 155 K N 0.737 121.219 120.400 0.137 0.000 2.518 155 K HA 0.104 4.421 4.320 -0.005 0.000 0.276 155 K C -0.284 176.319 176.600 0.007 0.000 0.974 155 K CA -0.363 56.033 56.287 0.182 0.000 0.986 155 K CB 0.446 33.004 32.500 0.098 0.000 0.901 155 K HN 0.747 nan 8.250 nan 0.000 0.497 156 K N 2.321 122.700 120.400 -0.035 0.000 2.307 156 K HA 0.311 4.629 4.320 -0.005 0.000 0.263 156 K C 0.331 176.897 176.600 -0.055 0.000 0.973 156 K CA 0.121 56.367 56.287 -0.068 0.000 0.846 156 K CB 1.089 33.527 32.500 -0.103 0.000 1.100 156 K HN 0.921 nan 8.250 nan 0.000 0.438 157 G N 2.540 111.311 108.800 -0.048 0.000 2.557 157 G HA2 -0.299 3.658 3.960 -0.005 0.000 0.292 157 G HA3 -0.299 3.658 3.960 -0.005 0.000 0.292 157 G C 0.199 175.083 174.900 -0.026 0.000 1.162 157 G CA 0.323 45.401 45.100 -0.037 0.000 0.964 157 G HN 0.567 nan 8.290 nan 0.000 0.541 158 S N 1.464 117.156 115.700 -0.013 0.000 2.754 158 S HA 0.397 4.864 4.470 -0.005 0.000 0.247 158 S C 0.039 174.654 174.600 0.024 0.000 1.031 158 S CA -0.095 58.106 58.200 0.002 0.000 1.014 158 S CB 0.247 63.448 63.200 0.001 0.000 0.918 158 S HN 0.636 nan 8.310 nan 0.000 0.519 159 N N 0.938 119.651 118.700 0.021 0.000 2.238 159 N HA 0.392 5.130 4.740 -0.005 0.000 0.302 159 N C -1.811 173.744 175.510 0.075 0.000 1.072 159 N CA -0.415 52.657 53.050 0.037 0.000 0.792 159 N CB 1.515 39.995 38.487 -0.013 0.000 1.425 159 N HN 0.251 nan 8.380 nan 0.000 0.478 160 Y N 3.199 123.497 120.300 -0.003 0.000 2.681 160 Y HA 0.429 4.976 4.550 -0.005 0.000 0.347 160 Y C -2.332 173.610 175.900 0.070 0.000 1.029 160 Y CA -1.742 56.385 58.100 0.046 0.000 1.279 160 Y CB 1.074 39.626 38.460 0.153 0.000 1.096 160 Y HN 0.436 nan 8.280 nan 0.000 0.580 161 P HA 0.024 nan 4.420 nan 0.000 0.269 161 P C -0.600 176.805 177.300 0.176 0.000 1.215 161 P CA -0.100 63.006 63.100 0.010 0.000 0.780 161 P CB 0.817 32.442 31.700 -0.125 0.000 0.898 162 V N 1.217 121.250 119.914 0.197 0.000 2.617 162 V HA 0.182 4.299 4.120 -0.005 0.000 0.304 162 V C 0.826 177.063 176.094 0.238 0.000 1.040 162 V CA 0.139 62.571 62.300 0.221 0.000 1.149 162 V CB -0.408 31.521 31.823 0.176 0.000 0.914 162 V HN 0.666 nan 8.190 nan 0.000 0.487 163 A N 6.287 129.237 122.820 0.217 0.000 2.260 163 A HA 0.641 4.958 4.320 -0.005 0.000 0.308 163 A C 0.035 177.791 177.584 0.288 0.000 1.254 163 A CA -0.639 51.554 52.037 0.260 0.000 0.874 163 A CB 0.332 19.296 19.000 -0.059 0.000 1.153 163 A HN 0.863 nan 8.150 nan 0.000 0.527 164 K N 1.197 121.777 120.400 0.301 0.000 2.318 164 K HA 0.728 5.045 4.320 -0.005 0.000 0.249 164 K C -0.349 176.323 176.600 0.119 0.000 0.942 164 K CA -0.637 55.771 56.287 0.200 0.000 0.808 164 K CB 2.706 35.274 32.500 0.113 0.000 1.189 164 K HN 0.876 nan 8.250 nan 0.000 0.428 165 G N 0.638 109.532 108.800 0.157 0.000 2.750 165 G HA2 0.384 4.341 3.960 -0.005 0.000 0.298 165 G HA3 0.384 4.341 3.960 -0.005 0.000 0.298 165 G C -1.306 173.706 174.900 0.186 0.000 1.412 165 G CA -0.386 44.759 45.100 0.074 0.000 1.078 165 G HN 0.377 nan 8.290 nan 0.000 0.573 166 S N -0.143 115.616 115.700 0.098 0.000 2.600 166 S HA 0.783 5.250 4.470 -0.005 0.000 0.300 166 S C -1.663 173.054 174.600 0.195 0.000 1.087 166 S CA -0.580 57.688 58.200 0.113 0.000 0.965 166 S CB 1.883 65.102 63.200 0.032 0.000 1.089 166 S HN 0.718 nan 8.310 nan 0.000 0.496 167 Y N 2.443 122.772 120.300 0.048 0.000 2.315 167 Y HA 0.387 4.934 4.550 -0.005 0.000 0.324 167 Y C -0.813 175.101 175.900 0.024 0.000 1.062 167 Y CA -0.836 57.286 58.100 0.038 0.000 1.159 167 Y CB 0.857 39.357 38.460 0.067 0.000 1.145 167 Y HN 0.635 nan 8.280 nan 0.000 0.442 168 N N 4.719 123.099 118.700 -0.533 0.000 2.411 168 N HA 0.021 4.758 4.740 -0.005 0.000 0.259 168 N C -0.761 174.263 175.510 -0.810 0.000 1.103 168 N CA 0.106 52.886 53.050 -0.451 0.000 0.954 168 N CB 0.467 38.821 38.487 -0.222 0.000 1.085 168 N HN 0.755 nan 8.380 nan 0.000 0.485 169 N N 2.571 120.995 118.700 -0.460 0.000 2.421 169 N HA 0.009 4.747 4.740 -0.005 0.000 0.260 169 N C 0.704 176.026 175.510 -0.314 0.000 1.173 169 N CA -0.040 52.824 53.050 -0.310 0.000 0.960 169 N CB 0.185 38.635 38.487 -0.061 0.000 1.273 169 N HN 0.551 nan 8.380 nan 0.000 0.497 170 T N -1.168 113.251 114.554 -0.225 0.000 3.044 170 T HA -0.047 4.300 4.350 -0.005 0.000 0.250 170 T C 1.707 176.304 174.700 -0.171 0.000 1.081 170 T CA 0.446 62.486 62.100 -0.101 0.000 1.040 170 T CB -0.430 68.492 68.868 0.090 0.000 0.962 170 T HN 0.366 nan 8.240 nan 0.000 0.506 171 S N 1.514 117.153 115.700 -0.102 0.000 2.488 171 S HA 0.096 4.564 4.470 -0.005 0.000 0.246 171 S C 2.218 176.751 174.600 -0.112 0.000 0.992 171 S CA 1.048 59.220 58.200 -0.046 0.000 0.963 171 S CB -1.399 61.807 63.200 0.011 0.000 0.754 171 S HN 1.377 nan 8.310 nan 0.000 0.519 172 G N -0.054 108.552 108.800 -0.323 0.000 2.184 172 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.264 172 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.264 172 G C -0.130 174.678 174.900 -0.154 0.000 0.975 172 G CA 0.560 45.520 45.100 -0.235 0.000 0.642 172 G HN 0.656 nan 8.290 nan 0.000 0.536 173 E N -0.409 119.706 120.200 -0.141 0.000 2.359 173 E HA 0.445 4.792 4.350 -0.005 0.000 0.266 173 E C -0.064 176.488 176.600 -0.080 0.000 0.920 173 E CA -0.878 55.483 56.400 -0.064 0.000 0.788 173 E CB 1.185 30.899 29.700 0.023 0.000 1.279 173 E HN 0.340 nan 8.360 nan 0.000 0.438 174 Q N 1.050 120.834 119.800 -0.027 0.000 2.395 174 Q HA 0.184 4.522 4.340 -0.005 0.000 0.271 174 Q C -0.524 175.504 176.000 0.046 0.000 1.026 174 Q CA 0.670 56.478 55.803 0.009 0.000 0.900 174 Q CB 0.816 29.583 28.738 0.048 0.000 1.266 174 Q HN 0.331 nan 8.270 nan 0.000 0.430 175 M N 2.998 122.649 119.600 0.085 0.000 2.259 175 M HA 0.272 4.749 4.480 -0.005 0.000 0.304 175 M C -1.584 174.839 176.300 0.204 0.000 1.019 175 M CA -1.103 54.267 55.300 0.117 0.000 0.922 175 M CB 1.125 33.791 32.600 0.109 0.000 1.600 175 M HN 0.498 nan 8.290 nan 0.000 0.433 176 L N 6.835 128.207 121.223 0.248 0.000 2.418 176 L HA 0.477 4.814 4.340 -0.005 0.000 0.274 176 L C -1.370 175.757 176.870 0.428 0.000 1.135 176 L CA 0.619 55.661 54.840 0.336 0.000 0.870 176 L CB 0.029 42.248 42.059 0.267 0.000 1.154 176 L HN 0.628 nan 8.230 nan 0.000 0.462 177 I N 6.284 127.132 120.570 0.463 0.000 2.545 177 I HA 0.473 4.640 4.170 -0.005 0.000 0.292 177 I C -0.478 176.009 176.117 0.616 0.000 1.040 177 I CA -0.583 61.022 61.300 0.509 0.000 1.068 177 I CB 1.891 40.180 38.000 0.481 0.000 1.251 177 I HN 0.487 nan 8.210 nan 0.000 0.424 178 I N 3.978 124.890 120.570 0.570 0.000 2.785 178 I HA 0.570 4.737 4.170 -0.005 0.000 0.302 178 I C -1.088 175.366 176.117 0.561 0.000 1.069 178 I CA -0.545 61.032 61.300 0.461 0.000 1.045 178 I CB 2.233 40.407 38.000 0.290 0.000 1.236 178 I HN 0.765 nan 8.210 nan 0.000 0.429 179 W N 2.639 124.073 121.300 0.224 0.000 2.940 179 W HA 0.889 5.547 4.660 -0.005 0.000 0.394 179 W C -1.123 175.379 176.519 -0.030 0.000 1.155 179 W CA -0.963 56.449 57.345 0.112 0.000 1.165 179 W CB 0.834 30.381 29.460 0.144 0.000 1.492 179 W HN 0.640 nan 8.180 nan 0.000 0.593 180 G N -0.070 108.672 108.800 -0.096 0.000 2.704 180 G HA2 0.585 4.542 3.960 -0.005 0.000 0.293 180 G HA3 0.585 4.542 3.960 -0.005 0.000 0.293 180 G C -2.518 172.172 174.900 -0.350 0.000 1.421 180 G CA -0.984 43.717 45.100 -0.666 0.000 0.870 180 G HN 0.732 nan 8.290 nan 0.000 0.492 181 V N 1.756 121.395 119.914 -0.459 0.000 2.409 181 V HA 0.344 4.461 4.120 -0.005 0.000 0.291 181 V C 0.059 175.790 176.094 -0.606 0.000 1.020 181 V CA -0.855 61.202 62.300 -0.404 0.000 0.848 181 V CB 1.212 32.836 31.823 -0.332 0.000 0.990 181 V HN 0.851 nan 8.190 nan 0.000 0.430 182 H N 5.305 124.049 119.070 -0.543 0.000 2.683 182 H HA 0.275 4.828 4.556 -0.005 0.000 0.339 182 H C -0.996 174.087 175.328 -0.407 0.000 1.081 182 H CA -0.313 55.475 56.048 -0.434 0.000 1.432 182 H CB 0.673 30.322 29.762 -0.189 0.000 1.462 182 H HN 0.630 nan 8.280 nan 0.000 0.557 183 H N 6.012 124.767 119.070 -0.524 0.000 2.762 183 H HA 0.242 4.795 4.556 -0.005 0.000 0.310 183 H C -2.303 172.741 175.328 -0.473 0.000 1.004 183 H CA -2.141 53.679 56.048 -0.380 0.000 1.267 183 H CB 1.465 31.122 29.762 -0.175 0.000 1.437 183 H HN 0.573 nan 8.280 nan 0.000 0.498 184 P HA 0.116 nan 4.420 nan 0.000 0.275 184 P C 1.363 178.681 177.300 0.031 0.000 1.266 184 P CA -0.374 62.697 63.100 -0.048 0.000 0.793 184 P CB 1.262 33.026 31.700 0.106 0.000 1.074 185 I N -4.063 116.554 120.570 0.078 0.000 3.968 185 I HA 0.381 4.548 4.170 -0.005 0.000 0.328 185 I C -0.010 176.139 176.117 0.053 0.000 1.290 185 I CA 0.747 62.082 61.300 0.058 0.000 1.163 185 I CB 0.039 38.078 38.000 0.066 0.000 1.024 185 I HN 0.050 nan 8.210 nan 0.000 0.413 186 D N 1.353 121.793 120.400 0.067 0.000 2.966 186 D HA 0.132 4.769 4.640 -0.005 0.000 0.222 186 D C 0.261 176.601 176.300 0.068 0.000 1.292 186 D CA -0.310 53.726 54.000 0.061 0.000 0.907 186 D CB 2.283 43.122 40.800 0.064 0.000 1.621 186 D HN 0.034 nan 8.370 nan 0.000 0.557 187 E N 1.547 121.778 120.200 0.051 0.000 2.267 187 E HA -0.188 4.159 4.350 -0.005 0.000 0.197 187 E C 0.966 177.601 176.600 0.058 0.000 0.998 187 E CA 1.429 57.860 56.400 0.052 0.000 0.830 187 E CB 0.397 30.119 29.700 0.037 0.000 0.751 187 E HN 0.325 nan 8.360 nan 0.000 0.491 188 K N 0.041 120.473 120.400 0.054 0.000 2.021 188 K HA -0.102 4.216 4.320 -0.005 0.000 0.205 188 K C 2.116 178.751 176.600 0.058 0.000 1.047 188 K CA 1.166 57.481 56.287 0.047 0.000 0.943 188 K CB -0.105 32.417 32.500 0.036 0.000 0.725 188 K HN 0.062 nan 8.250 nan 0.000 0.439 189 E N 1.188 121.434 120.200 0.077 0.000 2.209 189 E HA -0.311 4.037 4.350 -0.005 0.000 0.196 189 E C 2.093 178.779 176.600 0.144 0.000 0.993 189 E CA 1.320 57.781 56.400 0.102 0.000 0.819 189 E CB 0.148 29.934 29.700 0.144 0.000 0.745 189 E HN 0.179 nan 8.360 nan 0.000 0.477 190 Q N 0.577 120.475 119.800 0.163 0.000 2.245 190 Q HA -0.054 4.283 4.340 -0.005 0.000 0.201 190 Q C 1.786 177.902 176.000 0.194 0.000 0.955 190 Q CA 1.276 57.221 55.803 0.237 0.000 0.870 190 Q CB 0.127 28.959 28.738 0.155 0.000 0.945 190 Q HN 0.211 nan 8.270 nan 0.000 0.461 191 R N -1.199 119.362 120.500 0.101 0.000 2.127 191 R HA 0.092 4.429 4.340 -0.005 0.000 0.217 191 R C 2.089 178.405 176.300 0.027 0.000 1.074 191 R CA 1.376 57.516 56.100 0.065 0.000 0.991 191 R CB -0.100 30.226 30.300 0.045 0.000 0.895 191 R HN 0.193 nan 8.270 nan 0.000 0.450 192 T N 1.588 116.146 114.554 0.007 0.000 2.777 192 T HA -0.025 4.322 4.350 -0.005 0.000 0.266 192 T C 1.783 176.403 174.700 -0.134 0.000 1.040 192 T CA 0.941 63.013 62.100 -0.047 0.000 1.141 192 T CB 0.036 68.879 68.868 -0.041 0.000 0.868 192 T HN 0.109 nan 8.240 nan 0.000 0.444 193 L N -1.101 120.001 121.223 -0.202 0.000 2.249 193 L HA 0.102 4.439 4.340 -0.005 0.000 0.207 193 L C 1.341 177.761 176.870 -0.750 0.000 1.090 193 L CA 1.187 55.685 54.840 -0.571 0.000 0.802 193 L CB 0.035 41.624 42.059 -0.783 0.000 0.947 193 L HN 0.373 nan 8.230 nan 0.000 0.453 194 Y N -3.008 117.250 120.300 -0.071 0.000 2.499 194 Y HA 0.163 4.711 4.550 -0.005 0.000 0.253 194 Y C 1.523 177.359 175.900 -0.107 0.000 1.105 194 Y CA -0.490 57.495 58.100 -0.192 0.000 1.240 194 Y CB 0.455 38.686 38.460 -0.381 0.000 1.289 194 Y HN -0.053 nan 8.280 nan 0.000 0.534 195 Q N -0.005 119.838 119.800 0.071 0.000 2.179 195 Q HA -0.290 4.047 4.340 -0.005 0.000 0.170 195 Q C -0.652 175.385 176.000 0.062 0.000 2.751 195 Q CA 2.079 57.920 55.803 0.064 0.000 0.600 195 Q CB -1.623 27.162 28.738 0.079 0.000 0.583 195 Q HN 0.637 nan 8.270 nan 0.000 0.584 196 N N -0.732 117.999 118.700 0.052 0.000 2.495 196 N HA 0.377 5.114 4.740 -0.005 0.000 0.280 196 N C 0.898 176.420 175.510 0.019 0.000 1.168 196 N CA 0.135 53.206 53.050 0.035 0.000 0.978 196 N CB 1.337 39.842 38.487 0.029 0.000 1.191 196 N HN -0.076 nan 8.380 nan 0.000 0.497 197 V N -0.112 119.816 119.914 0.024 0.000 2.806 197 V HA 0.209 4.327 4.120 -0.005 0.000 0.239 197 V C 1.264 177.367 176.094 0.014 0.000 1.113 197 V CA 0.638 62.951 62.300 0.021 0.000 1.137 197 V CB 0.055 31.895 31.823 0.030 0.000 0.865 197 V HN 0.853 nan 8.190 nan 0.000 0.482 198 G N 2.668 111.487 108.800 0.030 0.000 3.209 198 G HA2 0.377 4.334 3.960 -0.005 0.000 0.274 198 G HA3 0.377 4.334 3.960 -0.005 0.000 0.274 198 G C 0.377 175.323 174.900 0.076 0.000 0.850 198 G CA 0.482 45.609 45.100 0.045 0.000 1.907 198 G HN 0.474 nan 8.290 nan 0.000 0.591 199 T N -0.988 113.585 114.554 0.031 0.000 2.897 199 T HA 0.758 5.105 4.350 -0.005 0.000 0.278 199 T C -0.348 174.423 174.700 0.117 0.000 0.981 199 T CA -0.777 61.326 62.100 0.004 0.000 0.973 199 T CB 1.581 70.328 68.868 -0.201 0.000 1.092 199 T HN 0.786 nan 8.240 nan 0.000 0.543 200 Y N -2.517 117.746 120.300 -0.062 0.000 2.656 200 Y HA 0.680 5.228 4.550 -0.005 0.000 0.334 200 Y C -2.005 173.879 175.900 -0.027 0.000 1.179 200 Y CA -1.648 56.431 58.100 -0.034 0.000 1.050 200 Y CB 0.962 39.419 38.460 -0.006 0.000 1.308 200 Y HN 0.483 nan 8.280 nan 0.000 0.456 201 V N 2.398 122.351 119.914 0.065 0.000 2.398 201 V HA 0.423 4.540 4.120 -0.005 0.000 0.282 201 V C -0.526 175.651 176.094 0.138 0.000 1.014 201 V CA -0.470 61.833 62.300 0.004 0.000 0.838 201 V CB 1.069 32.893 31.823 0.002 0.000 1.018 201 V HN 0.824 nan 8.190 nan 0.000 0.432 202 S N 3.826 119.633 115.700 0.177 0.000 2.480 202 S HA 0.803 5.271 4.470 -0.005 0.000 0.286 202 S C -0.559 174.004 174.600 -0.061 0.000 1.180 202 S CA -0.357 57.925 58.200 0.137 0.000 1.075 202 S CB 1.293 64.642 63.200 0.248 0.000 0.996 202 S HN 0.485 nan 8.310 nan 0.000 0.487 203 V N 3.201 123.002 119.914 -0.189 0.000 2.638 203 V HA 0.853 4.971 4.120 -0.005 0.000 0.306 203 V C 0.338 176.230 176.094 -0.337 0.000 1.052 203 V CA -0.611 61.402 62.300 -0.478 0.000 0.885 203 V CB 1.789 33.054 31.823 -0.931 0.000 0.999 203 V HN 0.975 nan 8.190 nan 0.000 0.424 204 G N 1.629 110.214 108.800 -0.358 0.000 2.740 204 G HA2 0.696 4.653 3.960 -0.005 0.000 0.296 204 G HA3 0.696 4.653 3.960 -0.005 0.000 0.296 204 G C -0.505 174.279 174.900 -0.194 0.000 1.439 204 G CA 0.199 45.172 45.100 -0.210 0.000 1.066 204 G HN 0.872 nan 8.290 nan 0.000 0.527 205 T N -1.727 112.755 114.554 -0.121 0.000 2.688 205 T HA 0.523 4.870 4.350 -0.005 0.000 0.249 205 T C 1.495 176.172 174.700 -0.038 0.000 0.944 205 T CA 0.372 62.427 62.100 -0.074 0.000 1.058 205 T CB 1.033 69.876 68.868 -0.042 0.000 1.673 205 T HN 0.210 nan 8.240 nan 0.000 0.565 206 S N 0.666 116.359 115.700 -0.013 0.000 2.461 206 S HA 0.092 4.559 4.470 -0.005 0.000 0.228 206 S C 1.655 176.256 174.600 0.003 0.000 1.005 206 S CA 1.127 59.327 58.200 -0.001 0.000 0.942 206 S CB -0.396 62.813 63.200 0.015 0.000 0.776 206 S HN 0.967 nan 8.310 nan 0.000 0.514 207 T N -1.694 112.862 114.554 0.004 0.000 3.144 207 T HA 0.442 4.789 4.350 -0.005 0.000 0.290 207 T C -0.204 174.497 174.700 0.002 0.000 0.966 207 T CA -0.368 61.737 62.100 0.008 0.000 0.907 207 T CB 0.047 68.926 68.868 0.019 0.000 1.152 207 T HN 0.058 nan 8.240 nan 0.000 0.532 208 L N 1.856 123.075 121.223 -0.008 0.000 2.333 208 L HA 0.888 5.225 4.340 -0.005 0.000 0.269 208 L C -1.340 175.515 176.870 -0.026 0.000 1.010 208 L CA -0.619 54.215 54.840 -0.010 0.000 0.818 208 L CB 2.116 44.169 42.059 -0.009 0.000 1.306 208 L HN 0.297 nan 8.230 nan 0.000 0.430 209 N N 2.243 120.935 118.700 -0.012 0.000 2.521 209 N HA 0.458 5.195 4.740 -0.005 0.000 0.269 209 N C -1.880 173.637 175.510 0.012 0.000 1.079 209 N CA -0.564 52.476 53.050 -0.017 0.000 0.980 209 N CB 1.150 39.630 38.487 -0.012 0.000 1.667 209 N HN 0.550 nan 8.380 nan 0.000 0.498 210 K N 2.407 122.816 120.400 0.015 0.000 2.536 210 K HA 0.190 4.507 4.320 -0.005 0.000 0.335 210 K C -1.685 174.959 176.600 0.074 0.000 1.390 210 K CA -0.388 55.939 56.287 0.067 0.000 1.083 210 K CB 0.530 33.120 32.500 0.150 0.000 1.416 210 K HN 0.548 nan 8.250 nan 0.000 0.509 211 R N 2.396 122.935 120.500 0.065 0.000 2.196 211 R HA 0.351 4.688 4.340 -0.005 0.000 0.340 211 R C -0.990 175.376 176.300 0.110 0.000 1.043 211 R CA -0.108 56.046 56.100 0.089 0.000 0.883 211 R CB 1.047 31.366 30.300 0.032 0.000 1.078 211 R HN 0.396 nan 8.270 nan 0.000 0.462 212 S N 2.356 118.146 115.700 0.149 0.000 2.489 212 S HA 0.315 4.782 4.470 -0.005 0.000 0.291 212 S C -0.354 174.324 174.600 0.130 0.000 1.151 212 S CA -0.721 57.561 58.200 0.136 0.000 1.082 212 S CB 1.754 65.046 63.200 0.153 0.000 1.019 212 S HN 0.710 nan 8.310 nan 0.000 0.492 213 T N 0.311 114.930 114.554 0.109 0.000 2.895 213 T HA 0.632 4.980 4.350 -0.005 0.000 0.283 213 T C -3.159 171.611 174.700 0.117 0.000 1.014 213 T CA -2.521 59.637 62.100 0.096 0.000 1.037 213 T CB 0.993 69.903 68.868 0.070 0.000 1.006 213 T HN 0.176 nan 8.240 nan 0.000 0.468 214 P HA 0.311 nan 4.420 nan 0.000 0.282 214 P C -0.627 176.776 177.300 0.171 0.000 1.274 214 P CA -0.434 62.779 63.100 0.189 0.000 0.770 214 P CB 0.290 31.994 31.700 0.007 0.000 0.867 215 E N 3.529 123.787 120.200 0.097 0.000 1.861 215 E HA 0.165 4.512 4.350 -0.005 0.000 0.263 215 E C 0.160 176.692 176.600 -0.114 0.000 1.137 215 E CA -0.281 56.022 56.400 -0.162 0.000 0.944 215 E CB -0.093 29.367 29.700 -0.399 0.000 1.092 215 E HN 0.436 nan 8.360 nan 0.000 0.420 216 I N 2.340 122.900 120.570 -0.018 0.000 2.692 216 I HA 0.209 4.377 4.170 -0.005 0.000 0.284 216 I C 0.463 176.566 176.117 -0.024 0.000 1.159 216 I CA 0.288 61.585 61.300 -0.006 0.000 1.423 216 I CB 0.636 38.645 38.000 0.015 0.000 1.380 216 I HN 0.473 nan 8.210 nan 0.000 0.580 217 A N 3.745 126.556 122.820 -0.014 0.000 2.581 217 A HA 0.474 4.791 4.320 -0.005 0.000 0.294 217 A C -0.591 176.993 177.584 0.001 0.000 1.035 217 A CA -0.675 51.353 52.037 -0.015 0.000 0.684 217 A CB 0.847 19.824 19.000 -0.038 0.000 1.282 217 A HN 0.529 nan 8.150 nan 0.000 0.417 218 T N 2.204 116.759 114.554 0.003 0.000 2.779 218 T HA 0.540 4.887 4.350 -0.005 0.000 0.296 218 T C 0.132 174.835 174.700 0.006 0.000 0.938 218 T CA 0.317 62.423 62.100 0.010 0.000 1.119 218 T CB -0.150 68.724 68.868 0.009 0.000 0.891 218 T HN 0.593 nan 8.240 nan 0.000 0.526 219 R N 2.772 123.280 120.500 0.013 0.000 2.808 219 R HA 0.516 4.853 4.340 -0.005 0.000 0.272 219 R C -2.891 173.418 176.300 0.015 0.000 0.995 219 R CA -2.153 53.954 56.100 0.012 0.000 0.917 219 R CB 0.562 30.870 30.300 0.013 0.000 1.217 219 R HN 0.348 nan 8.270 nan 0.000 0.471 220 P HA 0.044 nan 4.420 nan 0.000 0.269 220 P C -0.955 176.353 177.300 0.013 0.000 1.209 220 P CA -0.183 62.925 63.100 0.012 0.000 0.776 220 P CB 0.519 32.226 31.700 0.011 0.000 0.876 221 K N 0.833 121.238 120.400 0.009 0.000 2.298 221 K HA 0.426 4.743 4.320 -0.005 0.000 0.280 221 K C -0.767 175.832 176.600 -0.003 0.000 1.032 221 K CA -0.432 55.857 56.287 0.003 0.000 0.958 221 K CB 0.646 33.148 32.500 0.003 0.000 0.978 221 K HN 0.132 nan 8.250 nan 0.000 0.472 222 V N 3.870 123.775 119.914 -0.015 0.000 2.569 222 V HA 0.102 4.219 4.120 -0.005 0.000 0.301 222 V C -0.236 175.831 176.094 -0.045 0.000 1.044 222 V CA -0.892 61.398 62.300 -0.018 0.000 0.874 222 V CB 1.459 33.280 31.823 -0.004 0.000 1.002 222 V HN 0.887 nan 8.190 nan 0.000 0.424 223 N N 3.585 122.266 118.700 -0.032 0.000 2.778 223 N HA -0.220 4.517 4.740 -0.005 0.000 0.249 223 N C 1.072 176.552 175.510 -0.051 0.000 1.069 223 N CA 2.271 55.296 53.050 -0.041 0.000 0.831 223 N CB -1.078 37.376 38.487 -0.055 0.000 1.142 223 N HN 1.576 nan 8.380 nan 0.000 0.573 224 G N -2.095 106.679 108.800 -0.043 0.000 2.229 224 G HA2 -0.180 3.777 3.960 -0.005 0.000 0.189 224 G HA3 -0.180 3.777 3.960 -0.005 0.000 0.189 224 G C -0.286 174.593 174.900 -0.035 0.000 1.000 224 G CA 0.128 45.209 45.100 -0.032 0.000 0.663 224 G HN 0.319 nan 8.290 nan 0.000 0.493 225 L N 0.134 121.317 121.223 -0.066 0.000 2.381 225 L HA 0.719 5.057 4.340 -0.005 0.000 0.268 225 L C 1.467 178.328 176.870 -0.015 0.000 0.997 225 L CA -0.247 54.560 54.840 -0.056 0.000 0.818 225 L CB 2.061 44.009 42.059 -0.185 0.000 1.310 225 L HN 0.086 nan 8.230 nan 0.000 0.416 226 G N 0.024 108.842 108.800 0.030 0.000 2.595 226 G HA2 -0.012 3.945 3.960 -0.005 0.000 0.213 226 G HA3 -0.012 3.945 3.960 -0.005 0.000 0.213 226 G C 0.578 175.519 174.900 0.069 0.000 1.141 226 G CA 0.273 45.398 45.100 0.041 0.000 0.806 226 G HN 0.587 nan 8.290 nan 0.000 0.530 227 S N 0.441 116.211 115.700 0.117 0.000 2.589 227 S HA 0.632 5.100 4.470 -0.005 0.000 0.265 227 S C 0.031 174.769 174.600 0.229 0.000 1.342 227 S CA -0.325 57.977 58.200 0.171 0.000 1.005 227 S CB 1.452 64.849 63.200 0.328 0.000 0.909 227 S HN 0.274 nan 8.310 nan 0.000 0.555 228 R N -0.040 120.608 120.500 0.247 0.000 2.855 228 R HA 0.526 4.863 4.340 -0.005 0.000 0.266 228 R C -1.110 175.345 176.300 0.259 0.000 1.034 228 R CA -0.810 55.470 56.100 0.300 0.000 0.944 228 R CB 1.527 31.950 30.300 0.203 0.000 1.219 228 R HN 0.653 nan 8.270 nan 0.000 0.474 229 M N 1.485 121.209 119.600 0.206 0.000 2.067 229 M HA 0.259 4.736 4.480 -0.005 0.000 0.286 229 M C -0.633 175.518 176.300 -0.249 0.000 0.922 229 M CA -0.368 54.855 55.300 -0.128 0.000 0.937 229 M CB 2.261 34.733 32.600 -0.214 0.000 1.550 229 M HN 0.473 nan 8.290 nan 0.000 0.433 230 E N 3.618 123.607 120.200 -0.351 0.000 2.089 230 E HA 0.365 4.712 4.350 -0.005 0.000 0.284 230 E C -1.550 174.723 176.600 -0.544 0.000 1.023 230 E CA -0.311 55.936 56.400 -0.255 0.000 0.819 230 E CB 0.790 30.474 29.700 -0.026 0.000 1.076 230 E HN 0.393 nan 8.360 nan 0.000 0.396 231 F N 2.328 122.006 119.950 -0.455 0.000 2.404 231 F HA 0.319 4.843 4.527 -0.004 0.000 0.339 231 F C 0.548 175.873 175.800 -0.792 0.000 1.105 231 F CA -0.320 57.226 58.000 -0.756 0.000 1.087 231 F CB 1.843 40.130 39.000 -1.189 0.000 1.143 231 F HN 0.272 nan 8.300 nan 0.000 0.491 232 S N 2.682 117.896 115.700 -0.809 0.000 2.677 232 S HA 0.608 5.075 4.470 -0.005 0.000 0.304 232 S C -1.382 172.715 174.600 -0.838 0.000 1.108 232 S CA -0.757 56.972 58.200 -0.785 0.000 0.944 232 S CB 2.096 64.773 63.200 -0.872 0.000 1.127 232 S HN 0.702 nan 8.310 nan 0.000 0.511 233 W N -0.112 120.863 121.300 -0.540 0.000 3.047 233 W HA 0.782 5.439 4.660 -0.004 0.000 0.341 233 W C -1.220 175.368 176.519 0.115 0.000 1.225 233 W CA -0.711 56.546 57.345 -0.147 0.000 1.150 233 W CB 0.860 30.390 29.460 0.116 0.000 1.470 233 W HN 0.713 nan 8.180 nan 0.000 0.578 234 T N 0.487 115.376 114.554 0.558 0.000 2.802 234 T HA 0.474 4.822 4.350 -0.005 0.000 0.311 234 T C -1.900 173.105 174.700 0.508 0.000 1.405 234 T CA -0.682 61.628 62.100 0.351 0.000 1.016 234 T CB 1.605 70.657 68.868 0.307 0.000 1.352 234 T HN 0.490 nan 8.240 nan 0.000 0.498 235 L N 3.648 125.095 121.223 0.374 0.000 2.259 235 L HA 0.489 4.826 4.340 -0.005 0.000 0.288 235 L C -0.410 176.581 176.870 0.202 0.000 1.051 235 L CA -0.901 54.124 54.840 0.308 0.000 0.824 235 L CB 1.065 43.292 42.059 0.279 0.000 1.206 235 L HN 0.545 nan 8.230 nan 0.000 0.429 236 L N 4.007 125.345 121.223 0.192 0.000 2.319 236 L HA 0.275 4.612 4.340 -0.005 0.000 0.280 236 L C 0.255 177.172 176.870 0.078 0.000 1.099 236 L CA 0.247 55.166 54.840 0.130 0.000 0.828 236 L CB 0.573 42.724 42.059 0.154 0.000 1.150 236 L HN 0.419 nan 8.230 nan 0.000 0.442 237 D N 3.517 123.944 120.400 0.045 0.000 2.384 237 D HA 0.153 4.790 4.640 -0.005 0.000 0.244 237 D C 0.119 176.365 176.300 -0.091 0.000 1.251 237 D CA -0.027 53.974 54.000 0.002 0.000 0.961 237 D CB 0.620 41.435 40.800 0.025 0.000 1.116 237 D HN 0.564 nan 8.370 nan 0.000 0.484 238 M N 0.217 119.701 119.600 -0.194 0.000 2.248 238 M HA -0.002 4.475 4.480 -0.005 0.000 0.345 238 M C -0.089 175.939 176.300 -0.455 0.000 1.243 238 M CA 0.646 55.596 55.300 -0.584 0.000 1.090 238 M CB 0.108 32.263 32.600 -0.743 0.000 1.683 238 M HN 0.516 nan 8.290 nan 0.000 0.450 239 W N 0.258 121.554 121.300 -0.007 0.000 3.520 239 W HA -0.273 4.384 4.660 -0.005 0.000 0.305 239 W C -0.125 176.371 176.519 -0.038 0.000 1.150 239 W CA 0.114 57.439 57.345 -0.033 0.000 0.656 239 W CB -1.897 27.550 29.460 -0.022 0.000 2.198 239 W HN 0.517 nan 8.180 nan 0.000 1.417 240 D N 0.339 120.767 120.400 0.046 0.000 2.163 240 D HA 0.458 5.095 4.640 -0.005 0.000 0.248 240 D C 0.327 176.620 176.300 -0.012 0.000 1.035 240 D CA -0.167 53.851 54.000 0.031 0.000 0.872 240 D CB 1.267 42.084 40.800 0.027 0.000 1.183 240 D HN -0.123 nan 8.370 nan 0.000 0.445 241 T N 2.897 117.441 114.554 -0.018 0.000 2.922 241 T HA 0.441 4.788 4.350 -0.005 0.000 0.285 241 T C 0.125 174.801 174.700 -0.039 0.000 1.005 241 T CA -0.554 61.523 62.100 -0.038 0.000 1.061 241 T CB 0.829 69.671 68.868 -0.042 0.000 1.007 241 T HN 0.335 nan 8.240 nan 0.000 0.502 242 I N 2.303 122.851 120.570 -0.036 0.000 2.530 242 I HA 0.427 4.595 4.170 -0.005 0.000 0.297 242 I C -1.138 174.833 176.117 -0.243 0.000 1.011 242 I CA -0.937 60.265 61.300 -0.163 0.000 1.107 242 I CB 1.450 39.350 38.000 -0.166 0.000 1.285 242 I HN 0.475 nan 8.210 nan 0.000 0.436 243 N N 7.093 125.555 118.700 -0.396 0.000 2.399 243 N HA 0.416 5.154 4.740 -0.005 0.000 0.280 243 N C -1.535 173.699 175.510 -0.461 0.000 1.008 243 N CA -0.199 52.678 53.050 -0.288 0.000 0.894 243 N CB 1.606 40.008 38.487 -0.143 0.000 1.273 243 N HN 0.314 nan 8.380 nan 0.000 0.486 244 F N 0.606 120.538 119.950 -0.030 0.000 2.420 244 F HA 0.364 4.888 4.527 -0.005 0.000 0.342 244 F C 0.806 176.623 175.800 0.027 0.000 1.113 244 F CA -0.646 57.330 58.000 -0.040 0.000 1.059 244 F CB 1.668 40.677 39.000 0.015 0.000 1.128 244 F HN 0.288 nan 8.300 nan 0.000 0.475 245 E N 1.884 122.185 120.200 0.167 0.000 2.263 245 E HA 0.544 4.891 4.350 -0.005 0.000 0.268 245 E C -1.547 175.041 176.600 -0.021 0.000 0.884 245 E CA -0.470 56.012 56.400 0.137 0.000 0.766 245 E CB 1.754 31.572 29.700 0.197 0.000 1.196 245 E HN 0.502 nan 8.360 nan 0.000 0.416 246 S N 1.951 117.580 115.700 -0.117 0.000 2.546 246 S HA 0.297 4.765 4.470 -0.005 0.000 0.272 246 S C -0.060 174.397 174.600 -0.239 0.000 1.140 246 S CA -0.271 57.730 58.200 -0.330 0.000 0.920 246 S CB 1.389 64.502 63.200 -0.145 0.000 1.083 246 S HN 0.591 nan 8.310 nan 0.000 0.476 247 T N 0.440 114.683 114.554 -0.518 0.000 3.134 247 T HA 0.599 4.946 4.350 -0.005 0.000 0.260 247 T C 0.691 175.213 174.700 -0.296 0.000 1.027 247 T CA 0.178 62.193 62.100 -0.142 0.000 0.913 247 T CB -0.084 68.730 68.868 -0.091 0.000 1.046 247 T HN 1.381 nan 8.240 nan 0.000 0.553 248 G N 0.770 109.309 108.800 -0.436 0.000 2.282 248 G HA2 0.343 4.300 3.960 -0.005 0.000 0.274 248 G HA3 0.343 4.300 3.960 -0.005 0.000 0.274 248 G C -0.336 174.150 174.900 -0.690 0.000 1.718 248 G CA -0.465 44.167 45.100 -0.779 0.000 0.927 248 G HN 0.054 nan 8.290 nan 0.000 0.733 249 N N -1.889 116.316 118.700 -0.824 0.000 3.021 249 N HA -0.151 4.586 4.740 -0.005 0.000 0.217 249 N C 0.233 175.612 175.510 -0.218 0.000 0.922 249 N CA 0.686 53.372 53.050 -0.606 0.000 1.016 249 N CB -0.777 37.364 38.487 -0.576 0.000 1.050 249 N HN 1.099 nan 8.380 nan 0.000 0.560 250 L N 2.670 123.811 121.223 -0.137 0.000 2.319 250 L HA 0.418 4.755 4.340 -0.005 0.000 0.280 250 L C -0.040 176.747 176.870 -0.137 0.000 1.099 250 L CA -0.067 54.698 54.840 -0.124 0.000 0.828 250 L CB 0.380 42.351 42.059 -0.146 0.000 1.150 250 L HN -0.006 nan 8.230 nan 0.000 0.442 251 I N 6.212 126.685 120.570 -0.161 0.000 2.307 251 I HA 0.414 4.581 4.170 -0.005 0.000 0.287 251 I C 0.592 176.664 176.117 -0.074 0.000 1.054 251 I CA -0.340 60.872 61.300 -0.146 0.000 1.218 251 I CB 0.161 38.026 38.000 -0.225 0.000 1.398 251 I HN 0.799 nan 8.210 nan 0.000 0.475 252 A N 9.609 132.343 122.820 -0.143 0.000 2.286 252 A HA 0.820 5.137 4.320 -0.005 0.000 0.286 252 A C -2.475 175.075 177.584 -0.057 0.000 1.097 252 A CA -1.275 50.627 52.037 -0.225 0.000 0.821 252 A CB 0.272 19.065 19.000 -0.343 0.000 1.076 252 A HN 0.416 nan 8.150 nan 0.000 0.490 253 P HA 0.289 nan 4.420 nan 0.000 0.290 253 P C -0.071 177.233 177.300 0.006 0.000 1.276 253 P CA -0.164 62.963 63.100 0.045 0.000 0.808 253 P CB 1.331 33.087 31.700 0.093 0.000 0.966 254 E N 1.784 121.990 120.200 0.011 0.000 2.364 254 E HA 0.017 4.364 4.350 -0.005 0.000 0.196 254 E C -0.465 175.831 176.600 -0.507 0.000 0.990 254 E CA 0.342 56.621 56.400 -0.201 0.000 0.886 254 E CB 0.181 29.751 29.700 -0.216 0.000 0.866 254 E HN 0.440 nan 8.360 nan 0.000 0.493 255 Y N -1.384 118.837 120.300 -0.131 0.000 2.630 255 Y HA 0.652 5.199 4.550 -0.004 0.000 0.337 255 Y C 0.580 176.257 175.900 -0.372 0.000 1.051 255 Y CA -0.674 57.250 58.100 -0.295 0.000 1.121 255 Y CB 2.121 40.351 38.460 -0.384 0.000 1.299 255 Y HN -0.081 nan 8.280 nan 0.000 0.498 256 G N -0.068 108.502 108.800 -0.384 0.000 2.818 256 G HA2 0.696 4.654 3.960 -0.005 0.000 0.286 256 G HA3 0.696 4.654 3.960 -0.005 0.000 0.286 256 G C -2.236 172.191 174.900 -0.789 0.000 1.364 256 G CA -0.786 44.083 45.100 -0.385 0.000 0.938 256 G HN 0.315 nan 8.290 nan 0.000 0.490 257 F N 0.349 120.194 119.950 -0.176 0.000 2.659 257 F HA 0.420 4.945 4.527 -0.005 0.000 0.342 257 F C 0.369 175.955 175.800 -0.358 0.000 1.168 257 F CA -0.789 56.956 58.000 -0.425 0.000 1.003 257 F CB 2.339 41.004 39.000 -0.558 0.000 1.267 257 F HN 0.055 nan 8.300 nan 0.000 0.463 258 K N 4.289 124.550 120.400 -0.233 0.000 2.383 258 K HA 0.462 4.779 4.320 -0.005 0.000 0.286 258 K C -0.640 175.854 176.600 -0.177 0.000 1.051 258 K CA 0.024 56.232 56.287 -0.132 0.000 0.974 258 K CB 1.139 33.592 32.500 -0.079 0.000 0.968 258 K HN 0.663 nan 8.250 nan 0.000 0.475 259 I N 1.243 121.805 120.570 -0.013 0.000 2.534 259 I HA 0.202 4.369 4.170 -0.005 0.000 0.288 259 I C -1.354 174.816 176.117 0.087 0.000 1.077 259 I CA -0.267 61.085 61.300 0.086 0.000 1.051 259 I CB 1.879 40.016 38.000 0.229 0.000 1.234 259 I HN 0.426 nan 8.210 nan 0.000 0.425 260 S N 7.248 123.003 115.700 0.093 0.000 2.561 260 S HA 0.675 5.143 4.470 -0.005 0.000 0.303 260 S C -1.266 173.336 174.600 0.003 0.000 1.110 260 S CA -0.641 57.599 58.200 0.066 0.000 1.034 260 S CB 1.009 64.273 63.200 0.107 0.000 1.010 260 S HN 0.698 nan 8.310 nan 0.000 0.482 261 K N 2.738 123.123 120.400 -0.025 0.000 2.546 261 K HA 0.748 5.066 4.320 -0.005 0.000 0.264 261 K C -0.200 176.363 176.600 -0.060 0.000 0.937 261 K CA -0.922 55.317 56.287 -0.079 0.000 0.833 261 K CB 1.876 34.303 32.500 -0.122 0.000 1.378 261 K HN 0.629 nan 8.250 nan 0.000 0.432 262 R N 0.218 120.670 120.500 -0.079 0.000 2.259 262 R HA -0.020 4.318 4.340 -0.005 0.000 0.026 262 R C -0.002 176.218 176.300 -0.133 0.000 0.846 262 R CA 1.002 57.033 56.100 -0.114 0.000 3.237 262 R CB -1.311 28.892 30.300 -0.162 0.000 0.689 262 R HN 1.083 nan 8.270 nan 0.000 0.595 263 G N 0.377 109.083 108.800 -0.156 0.000 4.248 263 G HA2 0.153 4.110 3.960 -0.005 0.000 0.218 263 G HA3 0.153 4.110 3.960 -0.005 0.000 0.218 263 G C -0.417 174.369 174.900 -0.189 0.000 0.790 263 G CA 0.613 45.606 45.100 -0.179 0.000 0.844 263 G HN 0.869 nan 8.290 nan 0.000 0.588 264 S N -0.963 114.617 115.700 -0.200 0.000 3.215 264 S HA 0.038 4.506 4.470 -0.005 0.000 0.857 264 S C 0.647 175.157 174.600 -0.150 0.000 1.076 264 S CA 1.585 59.644 58.200 -0.235 0.000 1.173 264 S CB -0.648 62.382 63.200 -0.283 0.000 0.827 264 S HN 1.947 nan 8.310 nan 0.000 0.258 265 S N 3.453 119.094 115.700 -0.099 0.000 3.657 265 S HA 0.936 5.403 4.470 -0.005 0.000 0.183 265 S C 0.549 175.206 174.600 0.096 0.000 0.995 265 S CA 1.129 59.403 58.200 0.123 0.000 1.333 265 S CB 0.951 64.276 63.200 0.208 0.000 1.197 265 S HN 2.293 nan 8.310 nan 0.000 0.856 266 G N 0.213 109.069 108.800 0.093 0.000 2.342 266 G HA2 0.459 4.416 3.960 -0.005 0.000 0.297 266 G HA3 0.459 4.416 3.960 -0.005 0.000 0.297 266 G C -2.062 172.878 174.900 0.066 0.000 1.313 266 G CA -0.728 44.411 45.100 0.064 0.000 0.830 266 G HN 0.623 nan 8.290 nan 0.000 0.506 267 I N 0.976 121.554 120.570 0.013 0.000 2.389 267 I HA 0.384 4.551 4.170 -0.005 0.000 0.288 267 I C -0.087 176.026 176.117 -0.008 0.000 0.999 267 I CA -0.567 60.730 61.300 -0.005 0.000 1.129 267 I CB 1.880 39.836 38.000 -0.075 0.000 1.288 267 I HN 0.515 nan 8.210 nan 0.000 0.444 268 M N 7.296 126.922 119.600 0.044 0.000 2.094 268 M HA 0.258 4.736 4.480 -0.005 0.000 0.348 268 M C -0.526 175.753 176.300 -0.035 0.000 1.267 268 M CA -0.348 54.954 55.300 0.003 0.000 1.125 268 M CB 0.151 32.791 32.600 0.066 0.000 1.527 268 M HN 0.243 nan 8.290 nan 0.000 0.447 269 K N 3.973 124.338 120.400 -0.059 0.000 2.336 269 K HA 0.197 4.514 4.320 -0.005 0.000 0.290 269 K C -0.178 176.380 176.600 -0.071 0.000 1.067 269 K CA 0.083 56.333 56.287 -0.062 0.000 0.962 269 K CB 0.048 32.519 32.500 -0.048 0.000 1.008 269 K HN 0.776 nan 8.250 nan 0.000 0.467 270 T N 0.440 114.952 114.554 -0.069 0.000 2.812 270 T HA 0.315 4.662 4.350 -0.005 0.000 0.294 270 T C 0.086 174.749 174.700 -0.062 0.000 1.159 270 T CA -0.494 61.563 62.100 -0.070 0.000 1.008 270 T CB 1.186 70.012 68.868 -0.070 0.000 1.289 270 T HN 0.385 nan 8.240 nan 0.000 0.514 271 E N 0.351 120.519 120.200 -0.055 0.000 2.447 271 E HA 0.246 4.593 4.350 -0.005 0.000 0.204 271 E C 1.188 177.759 176.600 -0.049 0.000 0.977 271 E CA 0.185 56.556 56.400 -0.048 0.000 0.950 271 E CB 0.090 29.769 29.700 -0.035 0.000 0.975 271 E HN 0.747 nan 8.360 nan 0.000 0.496 272 G N 1.216 109.987 108.800 -0.048 0.000 2.525 272 G HA2 0.293 4.251 3.960 -0.005 0.000 0.276 272 G HA3 0.293 4.251 3.960 -0.005 0.000 0.276 272 G C -0.077 174.792 174.900 -0.052 0.000 1.388 272 G CA 0.330 45.405 45.100 -0.042 0.000 1.050 272 G HN 0.138 nan 8.290 nan 0.000 0.520 273 T N -2.630 111.897 114.554 -0.046 0.000 2.956 273 T HA 0.446 4.793 4.350 -0.005 0.000 0.312 273 T C -0.540 174.131 174.700 -0.047 0.000 1.151 273 T CA -0.811 61.254 62.100 -0.059 0.000 1.024 273 T CB 1.700 70.534 68.868 -0.055 0.000 1.140 273 T HN 0.583 nan 8.240 nan 0.000 0.473 274 L N 1.946 123.129 121.223 -0.065 0.000 2.573 274 L HA 0.200 4.538 4.340 -0.005 0.000 0.290 274 L C 0.848 177.700 176.870 -0.031 0.000 1.247 274 L CA 1.062 55.872 54.840 -0.051 0.000 0.876 274 L CB -0.161 41.848 42.059 -0.083 0.000 1.123 274 L HN 0.913 nan 8.230 nan 0.000 0.505 275 E N 2.724 122.916 120.200 -0.013 0.000 2.715 275 E HA 0.031 4.378 4.350 -0.005 0.000 0.224 275 E C -0.017 176.581 176.600 -0.003 0.000 0.962 275 E CA 0.221 56.616 56.400 -0.008 0.000 1.145 275 E CB 0.168 29.867 29.700 -0.002 0.000 1.083 275 E HN 0.804 nan 8.360 nan 0.000 0.506 276 N N 1.159 119.859 118.700 -0.001 0.000 2.780 276 N HA -0.157 4.580 4.740 -0.005 0.000 0.248 276 N C -0.528 174.987 175.510 0.008 0.000 1.102 276 N CA 0.782 53.834 53.050 0.003 0.000 0.697 276 N CB -2.047 36.440 38.487 -0.000 0.000 1.028 276 N HN 0.387 nan 8.380 nan 0.000 0.554 277 c N -1.811 116.797 118.600 0.013 0.000 2.604 277 c HA 0.914 5.481 4.570 -0.005 0.000 0.416 277 c C 0.618 174.721 174.090 0.020 0.000 1.566 277 c CA -0.924 55.413 56.329 0.014 0.000 1.812 277 c CB 1.166 43.684 42.510 0.012 0.000 2.028 277 c HN 0.608 nan 8.230 nan 0.000 0.489 278 E N -0.793 119.416 120.200 0.016 0.000 2.288 278 E HA 0.694 5.041 4.350 -0.005 0.000 0.268 278 E C -0.873 175.733 176.600 0.010 0.000 0.885 278 E CA 0.059 56.471 56.400 0.019 0.000 0.767 278 E CB 2.090 31.798 29.700 0.014 0.000 1.220 278 E HN 1.006 nan 8.360 nan 0.000 0.427 279 T N 2.122 116.681 114.554 0.009 0.000 2.886 279 T HA 0.313 4.661 4.350 -0.005 0.000 0.330 279 T C -0.460 174.226 174.700 -0.023 0.000 1.488 279 T CA -0.544 61.546 62.100 -0.016 0.000 1.054 279 T CB 1.120 69.969 68.868 -0.032 0.000 1.348 279 T HN 0.496 nan 8.240 nan 0.000 0.489 280 K N 0.381 120.753 120.400 -0.047 0.000 2.353 280 K HA 0.380 4.697 4.320 -0.005 0.000 0.195 280 K C -0.207 176.317 176.600 -0.126 0.000 1.031 280 K CA 0.020 56.273 56.287 -0.056 0.000 1.079 280 K CB 0.434 32.906 32.500 -0.047 0.000 0.857 280 K HN 0.460 nan 8.250 nan 0.000 0.535 281 c N 1.174 119.686 118.600 -0.147 0.000 2.705 281 c HA 0.326 4.894 4.570 -0.005 0.000 0.369 281 c C -1.649 172.316 174.090 -0.208 0.000 1.069 281 c CA -0.744 55.456 56.329 -0.215 0.000 1.260 281 c CB 0.867 43.244 42.510 -0.221 0.000 1.764 281 c HN 0.307 nan 8.230 nan 0.000 0.469 282 Q N 3.052 122.688 119.800 -0.273 0.000 2.312 282 Q HA 0.768 5.106 4.340 -0.005 0.000 0.263 282 Q C -0.008 175.834 176.000 -0.264 0.000 0.995 282 Q CA 0.081 55.726 55.803 -0.263 0.000 0.853 282 Q CB 1.786 30.293 28.738 -0.385 0.000 1.300 282 Q HN 0.873 nan 8.270 nan 0.000 0.448 283 T N 0.451 114.880 114.554 -0.209 0.000 2.930 283 T HA 0.598 4.946 4.350 -0.005 0.000 0.290 283 T C -2.107 172.433 174.700 -0.266 0.000 1.052 283 T CA -2.227 59.733 62.100 -0.233 0.000 1.017 283 T CB 1.430 70.191 68.868 -0.178 0.000 1.137 283 T HN 0.451 nan 8.240 nan 0.000 0.511 284 P HA 0.130 nan 4.420 nan 0.000 0.225 284 P C 1.218 178.349 177.300 -0.283 0.000 1.148 284 P CA 0.662 63.555 63.100 -0.345 0.000 0.779 284 P CB 0.000 31.390 31.700 -0.517 0.000 0.780 285 L N -3.022 118.002 121.223 -0.332 0.000 2.416 285 L HA 0.359 4.697 4.340 -0.005 0.000 0.216 285 L C 1.145 177.838 176.870 -0.295 0.000 1.098 285 L CA 0.269 54.902 54.840 -0.344 0.000 0.840 285 L CB -0.272 41.467 42.059 -0.533 0.000 0.981 285 L HN 0.039 nan 8.230 nan 0.000 0.462 286 G N -0.678 108.002 108.800 -0.199 0.000 2.328 286 G HA2 0.446 4.403 3.960 -0.005 0.000 0.299 286 G HA3 0.446 4.403 3.960 -0.005 0.000 0.299 286 G C -1.730 173.174 174.900 0.008 0.000 1.435 286 G CA -0.261 44.854 45.100 0.026 0.000 0.865 286 G HN 0.029 nan 8.290 nan 0.000 0.601 287 A N -0.353 122.487 122.820 0.033 0.000 2.322 287 A HA 0.796 5.114 4.320 -0.005 0.000 0.269 287 A C 0.089 177.678 177.584 0.009 0.000 1.094 287 A CA -0.388 51.642 52.037 -0.012 0.000 0.807 287 A CB 0.369 19.359 19.000 -0.016 0.000 1.047 287 A HN 0.856 nan 8.150 nan 0.000 0.487 288 I N 2.337 122.881 120.570 -0.043 0.000 2.390 288 I HA 0.160 4.327 4.170 -0.005 0.000 0.283 288 I C -0.259 175.824 176.117 -0.057 0.000 1.016 288 I CA -0.513 60.762 61.300 -0.043 0.000 1.151 288 I CB 1.266 39.206 38.000 -0.101 0.000 1.293 288 I HN 0.594 nan 8.210 nan 0.000 0.458 289 N N 5.039 123.719 118.700 -0.033 0.000 2.602 289 N HA 0.254 4.991 4.740 -0.005 0.000 0.238 289 N C -0.762 174.728 175.510 -0.034 0.000 1.084 289 N CA 0.283 53.313 53.050 -0.034 0.000 0.952 289 N CB 0.731 39.205 38.487 -0.022 0.000 1.244 289 N HN 0.595 nan 8.380 nan 0.000 0.512 290 T N 0.050 114.574 114.554 -0.050 0.000 2.841 290 T HA 0.468 4.815 4.350 -0.005 0.000 0.296 290 T C 0.320 174.986 174.700 -0.057 0.000 1.166 290 T CA -0.351 61.721 62.100 -0.046 0.000 1.007 290 T CB 1.366 70.206 68.868 -0.047 0.000 1.253 290 T HN 0.328 nan 8.240 nan 0.000 0.511 291 T N 1.355 115.877 114.554 -0.053 0.000 3.130 291 T HA 0.400 4.747 4.350 -0.005 0.000 0.288 291 T C -0.021 174.633 174.700 -0.077 0.000 0.936 291 T CA -0.201 61.862 62.100 -0.062 0.000 0.897 291 T CB -0.252 68.589 68.868 -0.044 0.000 1.178 291 T HN 0.408 nan 8.240 nan 0.000 0.543 292 L N 1.898 123.079 121.223 -0.071 0.000 2.421 292 L HA 0.438 4.775 4.340 -0.005 0.000 0.263 292 L C -1.440 175.327 176.870 -0.173 0.000 1.122 292 L CA -2.295 52.493 54.840 -0.087 0.000 0.804 292 L CB 0.918 42.962 42.059 -0.025 0.000 1.150 292 L HN -0.090 nan 8.230 nan 0.000 0.457 293 P HA -0.025 nan 4.420 nan 0.000 0.219 293 P C -0.482 176.316 177.300 -0.837 0.000 1.150 293 P CA 1.196 63.895 63.100 -0.669 0.000 0.814 293 P CB 0.230 31.346 31.700 -0.972 0.000 0.787 294 F N -1.656 118.247 119.950 -0.078 0.000 2.561 294 F HA 0.535 5.059 4.527 -0.005 0.000 0.321 294 F C 0.756 176.589 175.800 0.056 0.000 1.065 294 F CA -1.022 56.942 58.000 -0.060 0.000 0.934 294 F CB 1.535 40.481 39.000 -0.091 0.000 1.215 294 F HN -0.100 nan 8.300 nan 0.000 0.471 295 H N -0.858 118.294 119.070 0.137 0.000 3.008 295 H HA 0.510 5.064 4.556 -0.005 0.000 0.354 295 H C -1.084 174.310 175.328 0.110 0.000 1.252 295 H CA -1.057 55.056 56.048 0.108 0.000 1.117 295 H CB 1.675 31.496 29.762 0.098 0.000 1.857 295 H HN 0.440 nan 8.280 nan 0.000 0.547 296 N N 1.491 120.149 118.700 -0.071 0.000 2.307 296 N HA 0.036 4.773 4.740 -0.005 0.000 0.248 296 N C -0.060 175.577 175.510 0.213 0.000 1.322 296 N CA 0.025 53.015 53.050 -0.100 0.000 0.861 296 N CB 0.002 38.413 38.487 -0.125 0.000 1.303 296 N HN 0.384 nan 8.380 nan 0.000 0.498 297 V N 0.273 120.390 119.914 0.338 0.000 2.223 297 V HA -0.091 4.026 4.120 -0.005 0.000 0.244 297 V C 0.630 176.879 176.094 0.259 0.000 1.045 297 V CA 1.715 64.205 62.300 0.318 0.000 1.000 297 V CB -0.642 31.387 31.823 0.345 0.000 0.635 297 V HN 0.639 nan 8.190 nan 0.000 0.445 298 H N -0.830 118.291 119.070 0.084 0.000 3.129 298 H HA 0.203 4.756 4.556 -0.005 0.000 0.342 298 H C -2.385 172.687 175.328 -0.427 0.000 1.092 298 H CA -1.143 54.819 56.048 -0.143 0.000 1.310 298 H CB 2.326 32.020 29.762 -0.113 0.000 1.932 298 H HN -0.041 nan 8.280 nan 0.000 0.507 299 P HA -0.054 nan 4.420 nan 0.000 0.220 299 P C 0.619 177.813 177.300 -0.177 0.000 1.148 299 P CA 0.636 63.243 63.100 -0.821 0.000 0.803 299 P CB 0.753 32.063 31.700 -0.650 0.000 0.782 300 L N 1.436 122.764 121.223 0.174 0.000 2.466 300 L HA 0.163 4.501 4.340 -0.005 0.000 0.248 300 L C 1.056 177.880 176.870 -0.076 0.000 1.240 300 L CA -0.365 54.502 54.840 0.045 0.000 1.180 300 L CB -0.453 41.643 42.059 0.061 0.000 1.413 300 L HN 0.043 nan 8.230 nan 0.000 0.406 301 T N -1.209 113.293 114.554 -0.087 0.000 2.881 301 T HA 0.731 5.078 4.350 -0.005 0.000 0.278 301 T C -0.191 174.376 174.700 -0.222 0.000 0.982 301 T CA -0.557 61.446 62.100 -0.162 0.000 0.989 301 T CB 2.273 71.049 68.868 -0.153 0.000 1.058 301 T HN 0.191 nan 8.240 nan 0.000 0.529 302 I N 0.778 121.154 120.570 -0.323 0.000 2.610 302 I HA 0.620 4.787 4.170 -0.005 0.000 0.289 302 I C 0.564 176.353 176.117 -0.546 0.000 1.163 302 I CA -0.374 60.672 61.300 -0.424 0.000 1.044 302 I CB 1.711 39.449 38.000 -0.438 0.000 1.251 302 I HN 1.213 nan 8.210 nan 0.000 0.424 303 G N 5.064 113.377 108.800 -0.812 0.000 2.225 303 G HA2 -0.012 3.946 3.960 -0.005 0.000 0.203 303 G HA3 -0.012 3.946 3.960 -0.005 0.000 0.203 303 G C -1.327 173.153 174.900 -0.698 0.000 1.335 303 G CA -0.744 43.875 45.100 -0.802 0.000 1.183 303 G HN 0.524 nan 8.290 nan 0.000 0.488 304 E N 0.228 120.218 120.200 -0.349 0.000 2.256 304 E HA 0.534 4.881 4.350 -0.005 0.000 0.243 304 E C -0.606 175.874 176.600 -0.201 0.000 0.925 304 E CA -0.432 55.842 56.400 -0.210 0.000 0.748 304 E CB 1.013 30.660 29.700 -0.088 0.000 1.206 304 E HN 0.640 nan 8.360 nan 0.000 0.428 305 c N 2.968 121.438 118.600 -0.216 0.000 2.399 305 c HA 0.563 5.130 4.570 -0.005 0.000 0.348 305 c C -1.955 172.020 174.090 -0.193 0.000 1.183 305 c CA -1.895 54.291 56.329 -0.237 0.000 2.023 305 c CB 0.666 43.014 42.510 -0.271 0.000 2.361 305 c HN 0.531 nan 8.230 nan 0.000 0.521 306 P HA 0.166 nan 4.420 nan 0.000 0.271 306 P C -0.781 176.516 177.300 -0.004 0.000 1.233 306 P CA -0.213 62.805 63.100 -0.138 0.000 0.789 306 P CB 0.392 32.058 31.700 -0.056 0.000 0.951 307 K N 0.814 121.110 120.400 -0.173 0.000 2.412 307 K HA 0.116 4.433 4.320 -0.005 0.000 0.281 307 K C -0.489 176.196 176.600 0.141 0.000 1.027 307 K CA 0.096 56.273 56.287 -0.182 0.000 0.989 307 K CB -0.619 31.392 32.500 -0.816 0.000 0.935 307 K HN 0.362 nan 8.250 nan 0.000 0.475 308 Y N 2.822 123.131 120.300 0.015 0.000 2.359 308 Y HA 0.376 4.923 4.550 -0.005 0.000 0.334 308 Y C -0.530 175.343 175.900 -0.045 0.000 1.058 308 Y CA -0.321 57.672 58.100 -0.178 0.000 1.244 308 Y CB 0.634 39.017 38.460 -0.128 0.000 1.187 308 Y HN 0.270 nan 8.280 nan 0.000 0.510 309 V N 7.549 127.008 119.914 -0.758 0.000 2.789 309 V HA 0.266 4.383 4.120 -0.005 0.000 0.311 309 V C -0.365 175.318 176.094 -0.685 0.000 1.073 309 V CA -1.289 60.704 62.300 -0.511 0.000 0.921 309 V CB 2.075 33.714 31.823 -0.307 0.000 1.009 309 V HN 0.732 nan 8.190 nan 0.000 0.426 310 K N 3.017 123.162 120.400 -0.425 0.000 3.192 310 K HA 0.361 4.678 4.320 -0.005 0.000 0.269 310 K C -0.156 176.331 176.600 -0.188 0.000 1.270 310 K CA 0.021 56.127 56.287 -0.301 0.000 1.249 310 K CB -0.034 32.370 32.500 -0.160 0.000 1.528 310 K HN 0.679 nan 8.250 nan 0.000 0.360 311 S N 0.119 115.700 115.700 -0.198 0.000 2.648 311 S HA 0.240 4.707 4.470 -0.005 0.000 0.305 311 S C 0.321 174.868 174.600 -0.088 0.000 1.094 311 S CA -0.864 57.260 58.200 -0.128 0.000 0.983 311 S CB 1.854 64.971 63.200 -0.138 0.000 1.101 311 S HN 0.393 nan 8.310 nan 0.000 0.514 312 E N 0.452 120.619 120.200 -0.055 0.000 2.251 312 E HA 0.083 4.430 4.350 -0.005 0.000 0.194 312 E C -0.024 176.566 176.600 -0.017 0.000 0.964 312 E CA 0.434 56.816 56.400 -0.029 0.000 0.868 312 E CB 0.372 30.060 29.700 -0.019 0.000 0.828 312 E HN 0.582 nan 8.360 nan 0.000 0.481 313 K N -0.200 120.185 120.400 -0.024 0.000 2.568 313 K HA 0.412 4.729 4.320 -0.005 0.000 0.273 313 K C -1.334 175.254 176.600 -0.019 0.000 0.951 313 K CA -0.620 55.661 56.287 -0.010 0.000 0.854 313 K CB 1.191 33.690 32.500 -0.002 0.000 1.424 313 K HN -0.127 nan 8.250 nan 0.000 0.427 314 L N 2.636 123.859 121.223 -0.000 0.000 2.488 314 L HA 0.293 4.630 4.340 -0.005 0.000 0.250 314 L C -1.076 175.807 176.870 0.022 0.000 1.280 314 L CA -0.991 53.849 54.840 0.000 0.000 0.929 314 L CB 1.836 43.901 42.059 0.010 0.000 1.200 314 L HN 0.432 nan 8.230 nan 0.000 0.495 315 V N 2.771 122.693 119.914 0.015 0.000 2.372 315 V HA 0.162 4.279 4.120 -0.005 0.000 0.261 315 V C 0.347 176.457 176.094 0.027 0.000 1.055 315 V CA -0.294 62.021 62.300 0.025 0.000 0.930 315 V CB 1.306 33.142 31.823 0.021 0.000 1.031 315 V HN 0.332 nan 8.190 nan 0.000 0.479 316 L N 5.083 126.329 121.223 0.038 0.000 2.349 316 L HA 0.585 4.923 4.340 -0.005 0.000 0.275 316 L C 0.728 177.629 176.870 0.052 0.000 1.115 316 L CA 0.434 55.298 54.840 0.039 0.000 0.820 316 L CB 1.184 43.268 42.059 0.042 0.000 1.135 316 L HN 0.736 nan 8.230 nan 0.000 0.445 317 A N 2.335 125.186 122.820 0.051 0.000 2.363 317 A HA 0.510 4.827 4.320 -0.005 0.000 0.270 317 A C 0.846 178.493 177.584 0.105 0.000 1.121 317 A CA 0.319 52.399 52.037 0.071 0.000 0.800 317 A CB 0.219 19.251 19.000 0.054 0.000 1.052 317 A HN 0.915 nan 8.150 nan 0.000 0.493 318 T N 0.290 114.939 114.554 0.158 0.000 3.056 318 T HA 0.375 4.722 4.350 -0.005 0.000 0.243 318 T C 1.072 175.944 174.700 0.287 0.000 0.995 318 T CA 0.677 62.912 62.100 0.224 0.000 1.091 318 T CB -0.421 68.590 68.868 0.237 0.000 0.990 318 T HN 0.957 nan 8.240 nan 0.000 0.464 319 G N 1.914 110.855 108.800 0.235 0.000 2.531 319 G HA2 0.660 4.617 3.960 -0.005 0.000 0.281 319 G HA3 0.660 4.617 3.960 -0.005 0.000 0.281 319 G C -0.212 174.287 174.900 -0.668 0.000 1.382 319 G CA -1.029 43.992 45.100 -0.133 0.000 1.045 319 G HN 0.650 nan 8.290 nan 0.000 0.533 320 L N -2.138 118.478 121.223 -1.012 0.000 2.472 320 L HA 0.652 4.989 4.340 -0.005 0.000 0.256 320 L C 0.897 177.560 176.870 -0.346 0.000 1.111 320 L CA -1.224 53.112 54.840 -0.839 0.000 0.800 320 L CB 0.565 42.100 42.059 -0.872 0.000 1.286 320 L HN 0.373 nan 8.230 nan 0.000 0.479 321 R N 1.432 121.771 120.500 -0.269 0.000 2.458 321 R HA 0.015 4.352 4.340 -0.005 0.000 0.303 321 R C -0.438 175.789 176.300 -0.121 0.000 1.013 321 R CA -0.128 55.874 56.100 -0.164 0.000 1.026 321 R CB 0.070 30.276 30.300 -0.156 0.000 0.948 321 R HN 0.652 nan 8.270 nan 0.000 0.417 322 N N 3.598 122.249 118.700 -0.083 0.000 2.411 322 N HA 0.091 4.828 4.740 -0.005 0.000 0.259 322 N C -1.221 174.269 175.510 -0.033 0.000 1.103 322 N CA -0.127 52.888 53.050 -0.058 0.000 0.954 322 N CB 1.180 39.625 38.487 -0.070 0.000 1.085 322 N HN 0.331 nan 8.380 nan 0.000 0.485 323 V N 5.975 125.889 119.914 -0.001 0.000 2.464 323 V HA 0.307 4.424 4.120 -0.005 0.000 0.255 323 V C -2.161 173.928 176.094 -0.008 0.000 0.946 323 V CA -1.088 61.219 62.300 0.013 0.000 0.988 323 V CB 0.746 32.615 31.823 0.076 0.000 1.210 323 V HN 0.572 nan 8.190 nan 0.000 0.523 331 L N -0.309 120.908 121.223 -0.010 0.000 2.341 331 L HA 0.500 4.837 4.340 -0.005 0.000 0.214 331 L C 1.583 178.253 176.870 -0.333 0.000 1.115 331 L CA 1.518 56.264 54.840 -0.157 0.000 0.820 331 L CB -0.204 41.747 42.059 -0.181 0.000 0.944 331 L HN 0.361 nan 8.230 nan 0.000 0.452 332 F N -0.720 119.215 119.950 -0.025 0.000 2.653 332 F HA 0.410 4.935 4.527 -0.004 0.000 0.304 332 F C 1.739 177.552 175.800 0.022 0.000 1.092 332 F CA 0.190 58.188 58.000 -0.004 0.000 1.279 332 F CB -0.167 38.820 39.000 -0.022 0.000 1.044 332 F HN 0.042 nan 8.300 nan 0.000 0.564 333 G N 0.811 109.679 108.800 0.114 0.000 2.258 333 G HA2 -0.293 3.664 3.960 -0.005 0.000 0.274 333 G HA3 -0.293 3.664 3.960 -0.005 0.000 0.274 333 G C 0.964 175.899 174.900 0.059 0.000 1.021 333 G CA 0.562 45.716 45.100 0.091 0.000 0.798 333 G HN 0.573 nan 8.290 nan 0.000 0.507 334 A N -0.495 122.277 122.820 -0.079 0.000 1.982 334 A HA 0.658 4.975 4.320 -0.005 0.000 0.217 334 A C 1.241 178.578 177.584 -0.411 0.000 1.457 334 A CA 0.586 52.367 52.037 -0.426 0.000 0.654 334 A CB 0.058 18.875 19.000 -0.305 0.000 1.150 334 A HN 0.709 nan 8.150 nan 0.000 0.509 335 I N 0.392 120.737 120.570 -0.375 0.000 2.668 335 I HA 0.186 4.354 4.170 -0.005 0.000 0.285 335 I C 1.363 177.343 176.117 -0.227 0.000 1.168 335 I CA 0.738 61.747 61.300 -0.484 0.000 1.424 335 I CB 0.522 38.093 38.000 -0.716 0.000 1.377 335 I HN 0.697 nan 8.210 nan 0.000 0.560 336 A N 4.250 127.011 122.820 -0.099 0.000 2.945 336 A HA -0.186 4.131 4.320 -0.005 0.000 0.263 336 A C 1.037 178.584 177.584 -0.062 0.000 1.293 336 A CA 1.196 53.199 52.037 -0.057 0.000 0.944 336 A CB -2.171 16.791 19.000 -0.063 0.000 1.093 336 A HN 0.995 nan 8.150 nan 0.000 0.786 337 G N -1.126 107.610 108.800 -0.107 0.000 3.345 337 G HA2 0.483 4.440 3.960 -0.005 0.000 0.202 337 G HA3 0.483 4.440 3.960 -0.005 0.000 0.202 337 G C 0.777 175.648 174.900 -0.049 0.000 1.740 337 G CA 0.276 45.338 45.100 -0.062 0.000 0.806 337 G HN 1.066 nan 8.290 nan 0.000 0.718 338 F N 0.127 120.033 119.950 -0.072 0.000 2.456 338 F HA 0.424 4.949 4.527 -0.004 0.000 0.298 338 F C 1.035 176.771 175.800 -0.106 0.000 1.104 338 F CA -0.108 57.833 58.000 -0.098 0.000 1.435 338 F CB -0.235 38.680 39.000 -0.141 0.000 1.078 338 F HN -0.126 nan 8.300 nan 0.000 0.546 339 I N 2.406 122.550 120.570 -0.710 0.000 2.256 339 I HA 0.068 4.235 4.170 -0.005 0.000 0.294 339 I C 0.728 176.734 176.117 -0.185 0.000 1.127 339 I CA 0.054 61.114 61.300 -0.401 0.000 1.247 339 I CB 0.499 38.232 38.000 -0.445 0.000 1.460 339 I HN 0.245 nan 8.210 nan 0.000 0.511 340 E N 3.784 123.918 120.200 -0.110 0.000 2.204 340 E HA -0.021 4.326 4.350 -0.005 0.000 0.194 340 E C 1.096 177.673 176.600 -0.038 0.000 0.989 340 E CA 0.295 56.663 56.400 -0.053 0.000 0.824 340 E CB 0.186 29.871 29.700 -0.026 0.000 0.756 340 E HN 0.745 nan 8.360 nan 0.000 0.477 341 G N -0.035 108.698 108.800 -0.112 0.000 2.680 341 G HA2 0.536 4.493 3.960 -0.005 0.000 0.290 341 G HA3 0.536 4.493 3.960 -0.005 0.000 0.290 341 G C -0.666 173.949 174.900 -0.474 0.000 1.355 341 G CA -0.386 44.629 45.100 -0.141 0.000 0.903 341 G HN 0.113 nan 8.290 nan 0.000 0.474 342 G N -1.260 107.355 108.800 -0.308 0.000 2.451 342 G HA2 0.485 4.442 3.960 -0.005 0.000 0.303 342 G HA3 0.485 4.442 3.960 -0.005 0.000 0.303 342 G C -1.036 173.732 174.900 -0.220 0.000 1.166 342 G CA -0.537 44.278 45.100 -0.476 0.000 0.884 342 G HN 0.394 nan 8.290 nan 0.000 0.514 343 W N 1.352 122.483 121.300 -0.282 0.000 2.298 343 W HA 0.326 4.981 4.660 -0.007 0.000 0.327 343 W C 1.159 177.485 176.519 -0.321 0.000 0.988 343 W CA -1.030 56.165 57.345 -0.250 0.000 1.448 343 W CB 0.498 29.839 29.460 -0.197 0.000 1.243 343 W HN 0.745 nan 8.180 nan 0.000 0.388 344 Q N 1.353 121.107 119.800 -0.076 0.000 2.291 344 Q HA -0.092 4.245 4.340 -0.005 0.000 0.206 344 Q C 1.920 177.817 176.000 -0.172 0.000 0.976 344 Q CA 1.364 57.074 55.803 -0.154 0.000 0.875 344 Q CB 0.004 28.681 28.738 -0.101 0.000 0.927 344 Q HN 0.629 nan 8.270 nan 0.000 0.450 345 G N 0.338 108.948 108.800 -0.318 0.000 2.920 345 G HA2 0.060 4.017 3.960 -0.005 0.000 0.208 345 G HA3 0.060 4.017 3.960 -0.005 0.000 0.208 345 G C 0.380 174.946 174.900 -0.557 0.000 1.159 345 G CA -0.341 44.462 45.100 -0.494 0.000 0.784 345 G HN 0.161 nan 8.290 nan 0.000 0.535 346 M N 2.018 121.452 119.600 -0.278 0.000 2.060 346 M HA 0.323 4.801 4.480 -0.005 0.000 0.342 346 M C 0.798 177.250 176.300 0.254 0.000 1.031 346 M CA -0.492 54.830 55.300 0.036 0.000 0.981 346 M CB 1.528 34.305 32.600 0.295 0.000 1.376 346 M HN -0.020 nan 8.290 nan 0.000 0.397 347 V N 1.114 121.111 119.914 0.139 0.000 3.643 347 V HA 0.168 4.286 4.120 -0.005 0.000 0.280 347 V C 1.002 177.079 176.094 -0.028 0.000 1.351 347 V CA 0.776 63.141 62.300 0.108 0.000 1.073 347 V CB -0.092 31.777 31.823 0.078 0.000 0.863 347 V HN 0.816 nan 8.190 nan 0.000 0.436 348 D N 0.744 121.140 120.400 -0.007 0.000 2.339 348 D HA 0.371 5.008 4.640 -0.005 0.000 0.217 348 D C 0.880 177.108 176.300 -0.121 0.000 1.050 348 D CA 1.025 54.990 54.000 -0.059 0.000 0.856 348 D CB 0.965 41.762 40.800 -0.004 0.000 0.922 348 D HN 0.664 nan 8.370 nan 0.000 0.518 349 G N -1.123 107.595 108.800 -0.137 0.000 2.559 349 G HA2 0.240 4.197 3.960 -0.005 0.000 0.291 349 G HA3 0.240 4.197 3.960 -0.005 0.000 0.291 349 G C -0.800 174.003 174.900 -0.161 0.000 1.424 349 G CA -0.746 44.246 45.100 -0.180 0.000 0.786 349 G HN -0.092 nan 8.290 nan 0.000 0.485 350 W N -0.312 120.792 121.300 -0.325 0.000 2.494 350 W HA 0.264 4.926 4.660 0.003 0.000 0.286 350 W C 0.109 176.369 176.519 -0.432 0.000 1.218 350 W CA 0.581 57.633 57.345 -0.489 0.000 1.313 350 W CB -0.276 28.642 29.460 -0.903 0.000 1.105 350 W HN 0.402 nan 8.180 nan 0.000 0.561 351 Y N -0.935 119.553 120.300 0.315 0.000 2.477 351 Y HA 0.701 5.250 4.550 -0.001 0.000 0.347 351 Y C 0.649 176.596 175.900 0.078 0.000 0.981 351 Y CA -0.668 57.532 58.100 0.167 0.000 1.033 351 Y CB 1.316 39.832 38.460 0.093 0.000 1.245 351 Y HN -0.131 nan 8.280 nan 0.000 0.455 352 G N 0.548 109.446 108.800 0.163 0.000 2.726 352 G HA2 0.530 4.487 3.960 -0.005 0.000 0.198 352 G HA3 0.530 4.487 3.960 -0.005 0.000 0.198 352 G C -2.167 172.658 174.900 -0.124 0.000 1.195 352 G CA -0.754 44.333 45.100 -0.022 0.000 0.951 352 G HN 0.443 nan 8.290 nan 0.000 0.532 353 Y N -1.796 118.850 120.300 0.577 0.000 2.605 353 Y HA 0.663 5.210 4.550 -0.005 0.000 0.343 353 Y C 0.842 176.984 175.900 0.403 0.000 1.036 353 Y CA -0.519 57.901 58.100 0.532 0.000 1.065 353 Y CB 2.454 41.101 38.460 0.311 0.000 1.288 353 Y HN 0.749 nan 8.280 nan 0.000 0.481 354 H N -0.250 119.001 119.070 0.302 0.000 2.336 354 H HA 0.119 4.672 4.556 -0.005 0.000 0.307 354 H C -0.464 174.817 175.328 -0.078 0.000 1.056 354 H CA 1.403 57.310 56.048 -0.235 0.000 1.471 354 H CB 0.372 29.772 29.762 -0.603 0.000 1.502 354 H HN 0.692 nan 8.280 nan 0.000 0.630 355 H N 0.100 119.160 119.070 -0.015 0.000 3.897 355 H HA -0.148 4.405 4.556 -0.005 0.000 0.298 355 H C -1.530 173.671 175.328 -0.211 0.000 0.767 355 H CA 0.575 56.569 56.048 -0.089 0.000 0.870 355 H CB -1.461 28.226 29.762 -0.125 0.000 1.357 355 H HN 0.369 nan 8.280 nan 0.000 0.324 356 S N 3.749 119.374 115.700 -0.125 0.000 2.578 356 S HA 0.668 5.136 4.470 -0.005 0.000 0.301 356 S C -0.492 174.056 174.600 -0.087 0.000 1.091 356 S CA -0.334 57.768 58.200 -0.164 0.000 1.032 356 S CB 1.594 64.782 63.200 -0.021 0.000 1.064 356 S HN 0.803 nan 8.310 nan 0.000 0.508 357 N N 1.015 119.656 118.700 -0.097 0.000 3.171 357 N HA 0.128 4.865 4.740 -0.005 0.000 0.239 357 N C -1.718 173.759 175.510 -0.055 0.000 1.275 357 N CA -0.448 52.569 53.050 -0.055 0.000 0.920 357 N CB 1.394 39.898 38.487 0.029 0.000 1.554 357 N HN 0.657 nan 8.380 nan 0.000 0.504 358 D N 0.267 120.640 120.400 -0.046 0.000 2.344 358 D HA 0.074 4.712 4.640 -0.005 0.000 0.242 358 D C 0.414 176.696 176.300 -0.029 0.000 1.159 358 D CA 0.641 54.620 54.000 -0.035 0.000 0.859 358 D CB 0.132 40.916 40.800 -0.028 0.000 0.925 358 D HN 0.485 nan 8.370 nan 0.000 0.510 359 Q N -0.252 119.532 119.800 -0.026 0.000 2.164 359 Q HA 0.371 4.709 4.340 -0.005 0.000 0.226 359 Q C 0.381 176.371 176.000 -0.016 0.000 0.813 359 Q CA -0.087 55.706 55.803 -0.016 0.000 0.978 359 Q CB 1.758 30.489 28.738 -0.010 0.000 1.149 359 Q HN 0.315 nan 8.270 nan 0.000 0.489 360 G N 0.470 109.243 108.800 -0.045 0.000 2.362 360 G HA2 -0.069 3.888 3.960 -0.005 0.000 0.656 360 G HA3 -0.069 3.888 3.960 -0.005 0.000 0.656 360 G C -0.643 174.115 174.900 -0.237 0.000 1.376 360 G CA -0.745 44.298 45.100 -0.094 0.000 0.971 360 G HN 0.011 nan 8.290 nan 0.000 0.636 361 S N -1.108 114.413 115.700 -0.298 0.000 2.598 361 S HA 0.896 5.363 4.470 -0.005 0.000 0.267 361 S C 0.753 174.962 174.600 -0.651 0.000 1.189 361 S CA 0.741 58.606 58.200 -0.559 0.000 1.010 361 S CB 1.093 64.100 63.200 -0.322 0.000 1.084 361 S HN 2.450 nan 8.310 nan 0.000 0.541 362 G N -0.176 108.097 108.800 -0.878 0.000 2.326 362 G HA2 0.228 4.185 3.960 -0.005 0.000 0.299 362 G HA3 0.228 4.185 3.960 -0.005 0.000 0.299 362 G C -1.459 173.117 174.900 -0.541 0.000 1.643 362 G CA -1.066 43.735 45.100 -0.498 0.000 0.916 362 G HN 0.398 nan 8.290 nan 0.000 0.700 363 Y N 0.264 120.467 120.300 -0.163 0.000 2.281 363 Y HA 0.617 5.165 4.550 -0.003 0.000 0.337 363 Y C 0.993 176.949 175.900 0.095 0.000 1.304 363 Y CA 0.838 58.916 58.100 -0.038 0.000 1.465 363 Y CB 1.580 40.046 38.460 0.010 0.000 1.350 363 Y HN 1.311 nan 8.280 nan 0.000 0.575 364 A N 0.439 123.486 122.820 0.380 0.000 2.530 364 A HA 0.686 5.003 4.320 -0.005 0.000 0.297 364 A C -1.430 176.389 177.584 0.392 0.000 1.059 364 A CA -0.419 51.817 52.037 0.332 0.000 0.782 364 A CB 0.119 19.298 19.000 0.299 0.000 1.301 364 A HN 0.931 nan 8.150 nan 0.000 0.394 365 A N 1.679 124.669 122.820 0.282 0.000 2.331 365 A HA 0.595 4.912 4.320 -0.005 0.000 0.283 365 A C -0.055 177.682 177.584 0.255 0.000 1.142 365 A CA -0.080 52.100 52.037 0.237 0.000 0.812 365 A CB 0.177 19.259 19.000 0.137 0.000 1.074 365 A HN 0.930 nan 8.150 nan 0.000 0.497 366 D N 1.857 122.394 120.400 0.229 0.000 2.342 366 D HA 0.132 4.770 4.640 -0.005 0.000 0.260 366 D C 1.049 177.472 176.300 0.206 0.000 1.278 366 D CA 0.404 54.570 54.000 0.277 0.000 0.910 366 D CB 0.441 41.354 40.800 0.188 0.000 1.079 366 D HN 0.511 nan 8.370 nan 0.000 0.496 367 K N 2.661 123.161 120.400 0.168 0.000 2.155 367 K HA -0.131 4.187 4.320 -0.005 0.000 0.203 367 K C 1.587 178.254 176.600 0.112 0.000 1.052 367 K CA 0.621 56.969 56.287 0.102 0.000 0.948 367 K CB 0.177 32.715 32.500 0.063 0.000 0.728 367 K HN 0.528 nan 8.250 nan 0.000 0.448 368 E N 0.971 121.250 120.200 0.132 0.000 2.023 368 E HA -0.207 4.140 4.350 -0.005 0.000 0.196 368 E C 1.970 178.660 176.600 0.151 0.000 1.003 368 E CA 2.123 58.597 56.400 0.123 0.000 0.809 368 E CB 0.079 29.849 29.700 0.116 0.000 0.755 368 E HN 0.281 nan 8.360 nan 0.000 0.449 369 S N -0.805 115.007 115.700 0.187 0.000 2.387 369 S HA -0.096 4.372 4.470 -0.005 0.000 0.226 369 S C 2.091 176.917 174.600 0.377 0.000 1.026 369 S CA 1.326 59.664 58.200 0.229 0.000 0.972 369 S CB -0.557 62.743 63.200 0.167 0.000 0.814 369 S HN 0.203 nan 8.310 nan 0.000 0.477 370 T N 1.789 116.558 114.554 0.358 0.000 2.803 370 T HA -0.126 4.221 4.350 -0.005 0.000 0.269 370 T C 1.889 176.716 174.700 0.211 0.000 1.052 370 T CA 1.807 64.066 62.100 0.266 0.000 1.136 370 T CB -0.381 68.517 68.868 0.051 0.000 0.864 370 T HN 0.486 nan 8.240 nan 0.000 0.467 371 Q N 1.357 121.258 119.800 0.168 0.000 2.062 371 Q HA 0.055 4.392 4.340 -0.005 0.000 0.196 371 Q C 2.180 178.326 176.000 0.243 0.000 0.967 371 Q CA 1.513 57.409 55.803 0.155 0.000 0.832 371 Q CB -0.326 28.466 28.738 0.089 0.000 0.899 371 Q HN 0.282 nan 8.270 nan 0.000 0.442 372 K N -0.016 120.519 120.400 0.226 0.000 2.089 372 K HA -0.175 4.142 4.320 -0.005 0.000 0.210 372 K C 1.730 178.534 176.600 0.340 0.000 1.048 372 K CA 1.886 58.315 56.287 0.236 0.000 0.926 372 K CB -0.657 31.959 32.500 0.195 0.000 0.714 372 K HN 0.286 nan 8.250 nan 0.000 0.448 373 A N -0.667 122.424 122.820 0.452 0.000 1.930 373 A HA -0.007 4.310 4.320 -0.005 0.000 0.215 373 A C 2.107 180.092 177.584 0.667 0.000 1.176 373 A CA 1.026 53.457 52.037 0.658 0.000 0.632 373 A CB -0.757 18.685 19.000 0.737 0.000 0.819 373 A HN 0.441 nan 8.150 nan 0.000 0.445 374 F N 1.503 121.695 119.950 0.403 0.000 2.095 374 F HA -0.229 4.293 4.527 -0.008 0.000 0.298 374 F C 1.769 177.658 175.800 0.149 0.000 1.104 374 F CA 2.235 60.354 58.000 0.199 0.000 1.232 374 F CB -0.207 38.750 39.000 -0.072 0.000 0.987 374 F HN 0.245 nan 8.300 nan 0.000 0.475 375 D N 0.006 120.539 120.400 0.222 0.000 2.092 375 D HA -0.149 4.488 4.640 -0.005 0.000 0.193 375 D C 2.501 178.794 176.300 -0.011 0.000 0.994 375 D CA 1.637 55.683 54.000 0.078 0.000 0.828 375 D CB -1.183 39.695 40.800 0.131 0.000 0.963 375 D HN 0.421 nan 8.370 nan 0.000 0.450 376 G N 0.643 109.472 108.800 0.047 0.000 2.442 376 G HA2 -0.206 3.751 3.960 -0.005 0.000 0.219 376 G HA3 -0.206 3.751 3.960 -0.005 0.000 0.219 376 G C 1.508 176.306 174.900 -0.170 0.000 1.141 376 G CA 0.306 45.354 45.100 -0.086 0.000 0.763 376 G HN 0.173 nan 8.290 nan 0.000 0.554 377 I N 1.344 121.867 120.570 -0.078 0.000 2.353 377 I HA -0.058 4.109 4.170 -0.005 0.000 0.248 377 I C 2.866 178.894 176.117 -0.149 0.000 1.119 377 I CA 1.128 62.380 61.300 -0.080 0.000 1.417 377 I CB -1.403 36.670 38.000 0.121 0.000 1.078 377 I HN 0.091 nan 8.210 nan 0.000 0.421 378 T N 1.618 116.013 114.554 -0.265 0.000 2.684 378 T HA -0.166 4.181 4.350 -0.005 0.000 0.267 378 T C 1.766 176.377 174.700 -0.148 0.000 1.036 378 T CA 1.557 63.495 62.100 -0.271 0.000 1.148 378 T CB -0.234 68.421 68.868 -0.354 0.000 0.863 378 T HN 0.255 nan 8.240 nan 0.000 0.436 379 N N 0.893 119.517 118.700 -0.125 0.000 2.120 379 N HA -0.073 4.664 4.740 -0.005 0.000 0.188 379 N C 1.798 177.255 175.510 -0.088 0.000 1.024 379 N CA 1.041 54.036 53.050 -0.091 0.000 0.852 379 N CB -0.326 38.112 38.487 -0.082 0.000 1.003 379 N HN 0.455 nan 8.380 nan 0.000 0.424 380 K N 1.011 121.344 120.400 -0.111 0.000 2.001 380 K HA -0.123 4.194 4.320 -0.005 0.000 0.214 380 K C 1.838 178.402 176.600 -0.059 0.000 1.050 380 K CA 1.431 57.661 56.287 -0.095 0.000 0.934 380 K CB -0.181 32.246 32.500 -0.121 0.000 0.718 380 K HN -0.094 nan 8.250 nan 0.000 0.443 381 V N 2.114 121.994 119.914 -0.057 0.000 2.324 381 V HA -0.292 3.826 4.120 -0.005 0.000 0.250 381 V C 2.025 178.096 176.094 -0.038 0.000 1.060 381 V CA 2.137 64.415 62.300 -0.036 0.000 1.042 381 V CB -0.734 31.066 31.823 -0.038 0.000 0.650 381 V HN 0.422 nan 8.190 nan 0.000 0.450 382 N N 0.049 118.719 118.700 -0.050 0.000 2.188 382 N HA -0.099 4.638 4.740 -0.005 0.000 0.184 382 N C 2.113 177.599 175.510 -0.039 0.000 1.018 382 N CA 1.568 54.591 53.050 -0.045 0.000 0.858 382 N CB -0.457 38.002 38.487 -0.046 0.000 0.989 382 N HN 0.411 nan 8.380 nan 0.000 0.426 383 S N 0.378 116.056 115.700 -0.037 0.000 2.365 383 S HA -0.092 4.375 4.470 -0.005 0.000 0.225 383 S C 2.203 176.793 174.600 -0.017 0.000 1.039 383 S CA 0.938 59.122 58.200 -0.026 0.000 1.033 383 S CB -0.432 62.751 63.200 -0.028 0.000 0.887 383 S HN 0.090 nan 8.310 nan 0.000 0.447 384 V N 1.623 121.530 119.914 -0.012 0.000 2.343 384 V HA -0.142 3.975 4.120 -0.005 0.000 0.247 384 V C 1.976 178.049 176.094 -0.035 0.000 1.051 384 V CA 1.547 63.851 62.300 0.006 0.000 1.036 384 V CB -0.527 31.315 31.823 0.032 0.000 0.654 384 V HN 0.446 nan 8.190 nan 0.000 0.451 385 I N 0.251 120.791 120.570 -0.051 0.000 2.400 385 I HA -0.149 4.018 4.170 -0.005 0.000 0.248 385 I C 2.547 178.609 176.117 -0.092 0.000 1.109 385 I CA 1.503 62.751 61.300 -0.087 0.000 1.425 385 I CB -0.330 37.630 38.000 -0.067 0.000 1.094 385 I HN 0.474 nan 8.210 nan 0.000 0.425 386 E N 0.832 120.995 120.200 -0.061 0.000 2.371 386 E HA -0.107 4.240 4.350 -0.005 0.000 0.194 386 E C 1.348 177.920 176.600 -0.046 0.000 1.012 386 E CA 0.436 56.804 56.400 -0.054 0.000 0.860 386 E CB 0.004 29.681 29.700 -0.039 0.000 0.811 386 E HN 0.234 nan 8.360 nan 0.000 0.502 387 K N 0.732 121.108 120.400 -0.038 0.000 2.505 387 K HA 0.099 4.416 4.320 -0.005 0.000 0.192 387 K C 0.430 177.016 176.600 -0.024 0.000 1.025 387 K CA -0.026 56.251 56.287 -0.017 0.000 1.086 387 K CB 0.009 32.514 32.500 0.007 0.000 0.840 387 K HN 0.229 nan 8.250 nan 0.000 0.514 388 M N 2.318 121.872 119.600 -0.077 0.000 2.261 388 M HA 0.122 4.599 4.480 -0.005 0.000 0.349 388 M C -0.481 175.757 176.300 -0.104 0.000 1.305 388 M CA -0.899 54.326 55.300 -0.126 0.000 1.240 388 M CB -0.038 32.395 32.600 -0.278 0.000 1.394 388 M HN -0.131 nan 8.290 nan 0.000 0.438 389 N N 2.742 121.414 118.700 -0.046 0.000 2.492 389 N HA 0.230 4.967 4.740 -0.005 0.000 0.260 389 N C -1.257 174.217 175.510 -0.059 0.000 1.215 389 N CA 0.389 53.421 53.050 -0.031 0.000 0.923 389 N CB 0.705 39.200 38.487 0.012 0.000 1.092 389 N HN 0.681 nan 8.380 nan 0.000 0.448 390 T N 2.599 117.121 114.554 -0.054 0.000 3.031 390 T HA 0.268 4.615 4.350 -0.005 0.000 0.305 390 T C -1.275 173.407 174.700 -0.030 0.000 0.985 390 T CA -0.774 61.284 62.100 -0.069 0.000 1.008 390 T CB 0.216 69.019 68.868 -0.109 0.000 1.005 390 T HN 0.597 nan 8.240 nan 0.000 0.444 391 Q N 3.548 123.340 119.800 -0.012 0.000 2.306 391 Q HA 0.512 4.850 4.340 -0.005 0.000 0.269 391 Q C -0.684 175.353 176.000 0.062 0.000 1.053 391 Q CA -1.077 54.750 55.803 0.040 0.000 0.879 391 Q CB 1.842 30.613 28.738 0.054 0.000 1.344 391 Q HN 0.694 nan 8.270 nan 0.000 0.464 392 F N 0.767 120.695 119.950 -0.036 0.000 2.466 392 F HA 0.356 4.880 4.527 -0.005 0.000 0.363 392 F C -0.029 175.754 175.800 -0.028 0.000 1.109 392 F CA 0.272 58.248 58.000 -0.039 0.000 1.161 392 F CB 0.104 39.084 39.000 -0.034 0.000 1.117 392 F HN 0.762 nan 8.300 nan 0.000 0.539 393 E N 3.533 123.667 120.200 -0.110 0.000 2.336 393 E HA 0.716 5.063 4.350 -0.005 0.000 0.267 393 E C -0.444 176.072 176.600 -0.139 0.000 0.906 393 E CA -0.274 56.129 56.400 0.004 0.000 0.781 393 E CB 1.521 31.215 29.700 -0.010 0.000 1.261 393 E HN 0.784 nan 8.360 nan 0.000 0.436 394 A N -0.443 122.383 122.820 0.010 0.000 2.085 394 A HA 0.453 4.770 4.320 -0.005 0.000 0.208 394 A C 1.808 179.370 177.584 -0.036 0.000 1.191 394 A CA 1.684 53.709 52.037 -0.020 0.000 0.799 394 A CB -0.263 18.794 19.000 0.094 0.000 0.877 394 A HN 1.578 nan 8.150 nan 0.000 0.473 395 V N -1.261 118.653 119.914 0.001 0.000 0.524 395 V HA -0.310 3.807 4.120 -0.005 0.000 0.092 395 V C 1.467 177.569 176.094 0.014 0.000 2.204 395 V CA 1.638 63.944 62.300 0.010 0.000 3.556 395 V CB -2.171 29.642 31.823 -0.016 0.000 0.846 395 V HN 1.098 nan 8.190 nan 0.000 0.884 396 G N 2.497 111.287 108.800 -0.015 0.000 2.358 396 G HA2 0.480 4.437 3.960 -0.005 0.000 0.273 396 G HA3 0.480 4.437 3.960 -0.005 0.000 0.273 396 G C -0.354 174.512 174.900 -0.057 0.000 1.215 396 G CA 0.014 45.099 45.100 -0.025 0.000 0.910 396 G HN 0.378 nan 8.290 nan 0.000 0.467 397 K N 1.453 121.788 120.400 -0.109 0.000 2.258 397 K HA 0.444 4.761 4.320 -0.005 0.000 0.236 397 K C -0.356 175.933 176.600 -0.517 0.000 1.008 397 K CA -0.722 55.376 56.287 -0.317 0.000 0.869 397 K CB 2.100 34.374 32.500 -0.377 0.000 1.171 397 K HN 0.461 nan 8.250 nan 0.000 0.447 398 E N 1.400 121.147 120.200 -0.755 0.000 2.176 398 E HA 0.443 4.791 4.350 -0.005 0.000 0.267 398 E C -0.869 175.257 176.600 -0.791 0.000 0.893 398 E CA -0.488 55.565 56.400 -0.578 0.000 0.761 398 E CB 1.062 30.566 29.700 -0.327 0.000 1.133 398 E HN 0.253 nan 8.360 nan 0.000 0.409 399 F N 0.057 120.005 119.950 -0.002 0.000 2.613 399 F HA 0.281 4.805 4.527 -0.005 0.000 0.310 399 F C 0.669 176.489 175.800 0.034 0.000 1.085 399 F CA -0.930 57.079 58.000 0.014 0.000 0.945 399 F CB 1.626 40.633 39.000 0.013 0.000 1.298 399 F HN 0.272 nan 8.300 nan 0.000 0.455 400 S N 0.277 116.138 115.700 0.270 0.000 2.730 400 S HA 0.365 4.832 4.470 -0.005 0.000 0.284 400 S C 0.496 175.176 174.600 0.134 0.000 1.153 400 S CA -0.624 57.682 58.200 0.177 0.000 0.995 400 S CB 1.009 64.306 63.200 0.162 0.000 1.058 400 S HN 0.541 nan 8.310 nan 0.000 0.552 401 N N 0.375 119.138 118.700 0.105 0.000 2.364 401 N HA 0.038 4.775 4.740 -0.005 0.000 0.183 401 N C 0.768 176.310 175.510 0.053 0.000 1.022 401 N CA 0.932 54.026 53.050 0.073 0.000 0.883 401 N CB -0.613 37.913 38.487 0.065 0.000 0.965 401 N HN 0.576 nan 8.380 nan 0.000 0.438 402 L N 0.116 121.374 121.223 0.058 0.000 2.872 402 L HA 0.233 4.570 4.340 -0.005 0.000 0.245 402 L C 0.190 177.074 176.870 0.023 0.000 1.211 402 L CA 0.186 55.048 54.840 0.037 0.000 1.013 402 L CB 0.183 42.268 42.059 0.042 0.000 1.326 402 L HN 0.057 nan 8.230 nan 0.000 0.525 403 E N -0.345 119.865 120.200 0.018 0.000 2.887 403 E HA 0.143 4.490 4.350 -0.005 0.000 0.206 403 E C 1.145 177.667 176.600 -0.130 0.000 0.983 403 E CA -0.215 56.161 56.400 -0.041 0.000 1.141 403 E CB 0.645 30.358 29.700 0.022 0.000 1.061 403 E HN 0.293 nan 8.360 nan 0.000 0.468 404 R N 0.454 120.909 120.500 -0.075 0.000 2.120 404 R HA -0.036 4.302 4.340 -0.005 0.000 0.234 404 R C 2.054 178.276 176.300 -0.130 0.000 1.123 404 R CA 0.937 56.985 56.100 -0.087 0.000 0.975 404 R CB 0.008 30.287 30.300 -0.035 0.000 0.866 404 R HN 0.072 nan 8.270 nan 0.000 0.446 405 R N 0.508 120.939 120.500 -0.115 0.000 2.080 405 R HA -0.151 4.186 4.340 -0.005 0.000 0.236 405 R C 2.315 178.504 176.300 -0.185 0.000 1.137 405 R CA 1.420 57.451 56.100 -0.116 0.000 0.943 405 R CB -0.493 29.759 30.300 -0.080 0.000 0.846 405 R HN 0.092 nan 8.270 nan 0.000 0.431 406 L N 1.468 122.541 121.223 -0.251 0.000 2.079 406 L HA -0.194 4.143 4.340 -0.005 0.000 0.210 406 L C 2.151 178.597 176.870 -0.706 0.000 1.081 406 L CA 1.906 56.520 54.840 -0.377 0.000 0.752 406 L CB -0.487 41.361 42.059 -0.352 0.000 0.896 406 L HN 0.222 nan 8.230 nan 0.000 0.433 407 E N -0.668 118.997 120.200 -0.892 0.000 2.051 407 E HA -0.293 4.054 4.350 -0.005 0.000 0.192 407 E C 1.976 178.399 176.600 -0.296 0.000 0.991 407 E CA 1.431 57.329 56.400 -0.837 0.000 0.799 407 E CB -0.377 29.091 29.700 -0.387 0.000 0.748 407 E HN 0.664 nan 8.360 nan 0.000 0.449 408 N N 0.226 118.804 118.700 -0.203 0.000 2.550 408 N HA -0.102 4.635 4.740 -0.005 0.000 0.186 408 N C 1.865 177.329 175.510 -0.078 0.000 1.110 408 N CA 0.061 53.053 53.050 -0.098 0.000 0.912 408 N CB 0.111 38.553 38.487 -0.075 0.000 0.968 408 N HN 0.301 nan 8.380 nan 0.000 0.448 409 L N 0.576 121.734 121.223 -0.108 0.000 2.071 409 L HA -0.117 4.221 4.340 -0.005 0.000 0.201 409 L C 2.148 179.009 176.870 -0.014 0.000 1.076 409 L CA 1.011 55.814 54.840 -0.061 0.000 0.755 409 L CB -0.587 41.429 42.059 -0.072 0.000 0.915 409 L HN 0.139 nan 8.230 nan 0.000 0.445 410 N N 0.182 118.884 118.700 0.003 0.000 2.133 410 N HA -0.338 4.400 4.740 -0.005 0.000 0.193 410 N C 1.747 177.317 175.510 0.099 0.000 1.012 410 N CA 2.152 55.264 53.050 0.102 0.000 0.871 410 N CB -0.021 38.605 38.487 0.232 0.000 1.011 410 N HN 0.156 nan 8.380 nan 0.000 0.435 411 K N 1.009 121.446 120.400 0.062 0.000 1.991 411 K HA -0.089 4.228 4.320 -0.005 0.000 0.207 411 K C 1.878 178.503 176.600 0.041 0.000 1.045 411 K CA 1.445 57.767 56.287 0.059 0.000 0.937 411 K CB -0.420 32.103 32.500 0.038 0.000 0.720 411 K HN 0.071 nan 8.250 nan 0.000 0.438 412 K N 0.433 120.838 120.400 0.009 0.000 2.228 412 K HA -0.173 4.145 4.320 -0.005 0.000 0.205 412 K C 1.997 178.583 176.600 -0.023 0.000 1.045 412 K CA 1.829 58.108 56.287 -0.013 0.000 0.931 412 K CB -0.211 32.270 32.500 -0.031 0.000 0.727 412 K HN 0.418 nan 8.250 nan 0.000 0.458 413 M N -0.400 119.205 119.600 0.009 0.000 2.155 413 M HA -0.076 4.402 4.480 -0.005 0.000 0.258 413 M C 1.733 178.088 176.300 0.092 0.000 1.092 413 M CA 1.731 57.034 55.300 0.005 0.000 1.153 413 M CB -0.107 32.541 32.600 0.081 0.000 1.316 413 M HN 0.056 nan 8.290 nan 0.000 0.431 414 E N 1.002 121.317 120.200 0.192 0.000 2.209 414 E HA -0.218 4.129 4.350 -0.005 0.000 0.196 414 E C 1.402 178.139 176.600 0.228 0.000 0.993 414 E CA 1.553 58.122 56.400 0.281 0.000 0.819 414 E CB -0.155 29.671 29.700 0.210 0.000 0.745 414 E HN 0.503 nan 8.360 nan 0.000 0.477 415 D N -1.387 119.086 120.400 0.122 0.000 2.117 415 D HA -0.059 4.578 4.640 -0.005 0.000 0.198 415 D C 1.822 178.145 176.300 0.039 0.000 0.982 415 D CA 1.363 55.412 54.000 0.081 0.000 0.828 415 D CB -0.519 40.302 40.800 0.034 0.000 0.967 415 D HN 0.317 nan 8.370 nan 0.000 0.464 416 G N -0.924 107.846 108.800 -0.051 0.000 2.422 416 G HA2 -0.200 3.757 3.960 -0.005 0.000 0.218 416 G HA3 -0.200 3.757 3.960 -0.005 0.000 0.218 416 G C 1.449 176.251 174.900 -0.163 0.000 1.140 416 G CA 0.023 45.023 45.100 -0.168 0.000 0.775 416 G HN 0.259 nan 8.290 nan 0.000 0.545 417 F N -0.337 119.642 119.950 0.049 0.000 2.456 417 F HA 0.136 4.661 4.527 -0.004 0.000 0.298 417 F C 2.326 178.239 175.800 0.189 0.000 1.104 417 F CA -0.092 57.957 58.000 0.082 0.000 1.435 417 F CB 0.081 39.199 39.000 0.197 0.000 1.078 417 F HN 0.113 nan 8.300 nan 0.000 0.546 418 L N 0.332 121.754 121.223 0.333 0.000 2.046 418 L HA -0.208 4.129 4.340 -0.005 0.000 0.208 418 L C 1.734 178.698 176.870 0.157 0.000 1.077 418 L CA 1.943 56.938 54.840 0.257 0.000 0.747 418 L CB -0.714 41.462 42.059 0.195 0.000 0.896 418 L HN -0.073 nan 8.230 nan 0.000 0.432 419 D N -0.934 119.514 120.400 0.080 0.000 2.077 419 D HA -0.147 4.490 4.640 -0.005 0.000 0.196 419 D C 2.370 178.684 176.300 0.023 0.000 0.986 419 D CA 1.605 55.616 54.000 0.019 0.000 0.829 419 D CB -0.639 40.133 40.800 -0.047 0.000 0.983 419 D HN 0.190 nan 8.370 nan 0.000 0.453 420 V N 0.466 120.360 119.914 -0.034 0.000 2.222 420 V HA -0.299 3.818 4.120 -0.005 0.000 0.252 420 V C 2.243 178.330 176.094 -0.012 0.000 1.060 420 V CA 2.046 64.292 62.300 -0.089 0.000 1.027 420 V CB -0.761 30.921 31.823 -0.236 0.000 0.644 420 V HN 0.343 nan 8.190 nan 0.000 0.448 421 W N -0.230 121.151 121.300 0.136 0.000 2.338 421 W HA -0.214 4.444 4.660 -0.003 0.000 0.304 421 W C 2.710 179.170 176.519 -0.099 0.000 1.212 421 W CA 1.485 58.876 57.345 0.078 0.000 1.264 421 W CB -0.821 28.727 29.460 0.147 0.000 1.142 421 W HN 0.176 nan 8.180 nan 0.000 0.512 422 T N -0.513 114.130 114.554 0.150 0.000 2.708 422 T HA -0.305 4.042 4.350 -0.005 0.000 0.266 422 T C 1.290 176.001 174.700 0.018 0.000 1.037 422 T CA 1.698 63.795 62.100 -0.006 0.000 1.146 422 T CB -0.780 68.084 68.868 -0.007 0.000 0.865 422 T HN 0.101 nan 8.240 nan 0.000 0.435 423 Y N 2.719 122.988 120.300 -0.051 0.000 2.049 423 Y HA -0.206 4.341 4.550 -0.004 0.000 0.277 423 Y C 2.359 178.229 175.900 -0.049 0.000 1.143 423 Y CA 1.531 59.599 58.100 -0.053 0.000 1.115 423 Y CB -0.760 37.671 38.460 -0.048 0.000 0.975 423 Y HN 0.114 nan 8.280 nan 0.000 0.487 424 N N 0.272 119.026 118.700 0.090 0.000 2.060 424 N HA -0.272 4.465 4.740 -0.005 0.000 0.195 424 N C 1.927 177.410 175.510 -0.044 0.000 1.028 424 N CA 1.887 54.954 53.050 0.029 0.000 0.861 424 N CB -1.032 37.535 38.487 0.133 0.000 1.029 424 N HN 0.528 nan 8.380 nan 0.000 0.428 425 A N 1.472 124.206 122.820 -0.145 0.000 1.851 425 A HA -0.169 4.148 4.320 -0.005 0.000 0.216 425 A C 2.097 179.539 177.584 -0.236 0.000 1.195 425 A CA 1.494 53.299 52.037 -0.387 0.000 0.622 425 A CB -0.563 17.824 19.000 -1.022 0.000 0.831 425 A HN 0.207 nan 8.150 nan 0.000 0.444 426 E N -0.524 119.544 120.200 -0.221 0.000 2.049 426 E HA -0.206 4.141 4.350 -0.005 0.000 0.198 426 E C 2.010 178.504 176.600 -0.176 0.000 1.007 426 E CA 1.268 57.563 56.400 -0.175 0.000 0.809 426 E CB -0.468 29.139 29.700 -0.155 0.000 0.749 426 E HN 0.433 nan 8.360 nan 0.000 0.450 427 L N 0.596 121.669 121.223 -0.250 0.000 2.056 427 L HA -0.145 4.192 4.340 -0.005 0.000 0.207 427 L C 2.510 179.300 176.870 -0.134 0.000 1.078 427 L CA 0.930 55.622 54.840 -0.248 0.000 0.749 427 L CB -0.927 40.890 42.059 -0.403 0.000 0.901 427 L HN 0.144 nan 8.230 nan 0.000 0.433 428 L N -1.232 119.936 121.223 -0.091 0.000 2.043 428 L HA -0.212 4.125 4.340 -0.005 0.000 0.212 428 L C 2.362 179.222 176.870 -0.016 0.000 1.075 428 L CA 1.660 56.487 54.840 -0.021 0.000 0.752 428 L CB -0.538 41.549 42.059 0.046 0.000 0.891 428 L HN 0.052 nan 8.230 nan 0.000 0.432 429 V N -0.471 119.425 119.914 -0.030 0.000 2.244 429 V HA -0.299 3.819 4.120 -0.005 0.000 0.244 429 V C 2.554 178.632 176.094 -0.027 0.000 1.042 429 V CA 1.991 64.281 62.300 -0.018 0.000 1.006 429 V CB -0.555 31.255 31.823 -0.021 0.000 0.641 429 V HN 0.445 nan 8.190 nan 0.000 0.446 430 L N -1.106 120.088 121.223 -0.048 0.000 2.043 430 L HA -0.301 4.036 4.340 -0.005 0.000 0.212 430 L C 2.556 179.404 176.870 -0.036 0.000 1.075 430 L CA 1.974 56.786 54.840 -0.046 0.000 0.752 430 L CB -0.561 41.458 42.059 -0.067 0.000 0.891 430 L HN 0.355 nan 8.230 nan 0.000 0.432 431 M N -0.863 118.712 119.600 -0.040 0.000 2.066 431 M HA -0.183 4.295 4.480 -0.005 0.000 0.259 431 M C 2.150 178.440 176.300 -0.015 0.000 1.074 431 M CA 1.579 56.863 55.300 -0.028 0.000 1.114 431 M CB -0.459 32.123 32.600 -0.030 0.000 1.306 431 M HN 0.095 nan 8.290 nan 0.000 0.411 432 E N 0.461 120.654 120.200 -0.013 0.000 2.401 432 E HA -0.126 4.222 4.350 -0.005 0.000 0.199 432 E C 1.392 177.990 176.600 -0.004 0.000 1.023 432 E CA 0.824 57.217 56.400 -0.011 0.000 0.859 432 E CB -0.503 29.191 29.700 -0.010 0.000 0.780 432 E HN 0.457 nan 8.360 nan 0.000 0.523 433 N N 0.776 119.476 118.700 -0.001 0.000 2.336 433 N HA -0.112 4.625 4.740 -0.005 0.000 0.177 433 N C 1.657 177.176 175.510 0.014 0.000 1.018 433 N CA 1.004 54.060 53.050 0.009 0.000 0.878 433 N CB -0.069 38.420 38.487 0.003 0.000 0.997 433 N HN 0.453 nan 8.380 nan 0.000 0.433 434 E N 0.804 121.008 120.200 0.006 0.000 2.268 434 E HA -0.067 4.280 4.350 -0.005 0.000 0.195 434 E C 1.452 178.070 176.600 0.030 0.000 0.995 434 E CA 0.692 57.099 56.400 0.011 0.000 0.836 434 E CB 0.086 29.786 29.700 -0.001 0.000 0.763 434 E HN 0.157 nan 8.360 nan 0.000 0.491 435 R N 0.568 121.085 120.500 0.027 0.000 2.080 435 R HA 0.031 4.369 4.340 -0.005 0.000 0.222 435 R C 2.275 178.613 176.300 0.063 0.000 1.107 435 R CA 1.551 57.676 56.100 0.041 0.000 0.980 435 R CB -0.834 29.471 30.300 0.007 0.000 0.879 435 R HN 0.215 nan 8.270 nan 0.000 0.439 436 T N 2.697 117.277 114.554 0.043 0.000 2.720 436 T HA -0.067 4.280 4.350 -0.005 0.000 0.268 436 T C 2.071 176.872 174.700 0.168 0.000 1.037 436 T CA 1.105 63.249 62.100 0.073 0.000 1.144 436 T CB -0.173 68.741 68.868 0.076 0.000 0.864 436 T HN 0.119 nan 8.240 nan 0.000 0.444 437 L N 0.803 122.103 121.223 0.129 0.000 2.044 437 L HA -0.077 4.260 4.340 -0.005 0.000 0.205 437 L C 2.515 179.450 176.870 0.109 0.000 1.075 437 L CA 1.164 56.073 54.840 0.116 0.000 0.747 437 L CB -0.678 41.404 42.059 0.039 0.000 0.903 437 L HN 0.156 nan 8.230 nan 0.000 0.435 438 D N 0.078 120.555 120.400 0.128 0.000 2.149 438 D HA -0.228 4.409 4.640 -0.005 0.000 0.198 438 D C 1.887 178.271 176.300 0.141 0.000 0.990 438 D CA 1.195 55.320 54.000 0.208 0.000 0.839 438 D CB -0.267 40.689 40.800 0.260 0.000 0.948 438 D HN 0.176 nan 8.370 nan 0.000 0.460 439 F N 2.024 121.936 119.950 -0.064 0.000 2.046 439 F HA -0.253 4.270 4.527 -0.006 0.000 0.297 439 F C 2.452 178.093 175.800 -0.265 0.000 1.123 439 F CA 1.708 59.589 58.000 -0.198 0.000 1.199 439 F CB -0.517 38.321 39.000 -0.270 0.000 0.972 439 F HN 0.069 nan 8.300 nan 0.000 0.474 440 H N -0.627 118.311 119.070 -0.221 0.000 2.352 440 H HA -0.169 4.384 4.556 -0.006 0.000 0.299 440 H C 2.036 177.119 175.328 -0.409 0.000 1.097 440 H CA 1.650 57.496 56.048 -0.338 0.000 1.311 440 H CB -0.737 28.901 29.762 -0.206 0.000 1.377 440 H HN 0.331 nan 8.280 nan 0.000 0.504 441 D N 0.411 120.709 120.400 -0.169 0.000 2.087 441 D HA -0.148 4.489 4.640 -0.005 0.000 0.192 441 D C 2.438 178.516 176.300 -0.371 0.000 0.993 441 D CA 1.508 55.392 54.000 -0.193 0.000 0.828 441 D CB -0.189 40.633 40.800 0.037 0.000 0.968 441 D HN 0.179 nan 8.370 nan 0.000 0.448 442 S N -0.171 115.125 115.700 -0.674 0.000 2.365 442 S HA -0.218 4.249 4.470 -0.005 0.000 0.225 442 S C 1.781 175.978 174.600 -0.672 0.000 1.039 442 S CA 1.688 59.239 58.200 -1.083 0.000 1.033 442 S CB -0.345 62.061 63.200 -1.324 0.000 0.887 442 S HN 0.231 nan 8.310 nan 0.000 0.447 443 N N 0.983 119.251 118.700 -0.720 0.000 2.094 443 N HA -0.093 4.644 4.740 -0.005 0.000 0.191 443 N C 1.765 176.866 175.510 -0.682 0.000 1.023 443 N CA 1.570 54.163 53.050 -0.762 0.000 0.857 443 N CB -1.006 36.833 38.487 -1.079 0.000 1.013 443 N HN 0.333 nan 8.380 nan 0.000 0.426 444 V N 1.312 120.836 119.914 -0.649 0.000 2.244 444 V HA -0.230 3.888 4.120 -0.005 0.000 0.244 444 V C 2.380 178.385 176.094 -0.147 0.000 1.042 444 V CA 1.728 63.802 62.300 -0.376 0.000 1.006 444 V CB -0.627 31.026 31.823 -0.283 0.000 0.641 444 V HN 0.269 nan 8.190 nan 0.000 0.446 445 K N 1.157 121.481 120.400 -0.126 0.000 2.107 445 K HA -0.250 4.067 4.320 -0.005 0.000 0.211 445 K C 1.752 178.418 176.600 0.110 0.000 1.049 445 K CA 2.257 58.585 56.287 0.069 0.000 0.927 445 K CB -0.489 32.043 32.500 0.053 0.000 0.714 445 K HN 0.484 nan 8.250 nan 0.000 0.452 446 N N 0.066 118.736 118.700 -0.050 0.000 2.300 446 N HA -0.097 4.640 4.740 -0.005 0.000 0.179 446 N C 1.494 177.016 175.510 0.020 0.000 1.016 446 N CA 0.947 53.981 53.050 -0.025 0.000 0.876 446 N CB -0.308 38.110 38.487 -0.115 0.000 0.979 446 N HN 0.149 nan 8.380 nan 0.000 0.432 447 L N 0.495 121.715 121.223 -0.005 0.000 2.017 447 L HA -0.143 4.195 4.340 -0.005 0.000 0.208 447 L C 2.130 179.097 176.870 0.162 0.000 1.073 447 L CA 1.546 56.418 54.840 0.053 0.000 0.745 447 L CB -1.161 40.893 42.059 -0.007 0.000 0.894 447 L HN 0.145 nan 8.230 nan 0.000 0.432 448 Y N 0.464 120.826 120.300 0.103 0.000 2.128 448 Y HA -0.288 4.259 4.550 -0.005 0.000 0.284 448 Y C 2.278 178.300 175.900 0.204 0.000 1.154 448 Y CA 2.215 60.452 58.100 0.228 0.000 1.149 448 Y CB -0.375 38.271 38.460 0.309 0.000 0.976 448 Y HN 0.317 nan 8.280 nan 0.000 0.505 449 D N -0.008 120.509 120.400 0.195 0.000 2.144 449 D HA -0.173 4.465 4.640 -0.005 0.000 0.199 449 D C 2.099 178.391 176.300 -0.013 0.000 0.984 449 D CA 1.421 55.463 54.000 0.069 0.000 0.834 449 D CB -0.290 40.580 40.800 0.118 0.000 0.955 449 D HN 0.338 nan 8.370 nan 0.000 0.465 450 K N 0.241 120.649 120.400 0.013 0.000 2.103 450 K HA -0.099 4.218 4.320 -0.005 0.000 0.207 450 K C 1.814 178.382 176.600 -0.054 0.000 1.048 450 K CA 0.750 57.038 56.287 0.001 0.000 0.930 450 K CB 0.086 32.610 32.500 0.039 0.000 0.716 450 K HN -0.039 nan 8.250 nan 0.000 0.444 451 V N 0.721 120.574 119.914 -0.103 0.000 2.488 451 V HA -0.117 4.000 4.120 -0.005 0.000 0.246 451 V C 2.393 178.197 176.094 -0.483 0.000 1.046 451 V CA 1.410 63.553 62.300 -0.261 0.000 1.053 451 V CB -0.424 31.249 31.823 -0.250 0.000 0.679 451 V HN 0.341 nan 8.190 nan 0.000 0.458 452 R N -0.220 120.017 120.500 -0.438 0.000 2.092 452 R HA -0.041 4.296 4.340 -0.005 0.000 0.231 452 R C 2.006 178.198 176.300 -0.179 0.000 1.119 452 R CA 1.379 57.268 56.100 -0.352 0.000 0.970 452 R CB -0.108 30.072 30.300 -0.201 0.000 0.864 452 R HN 0.384 nan 8.270 nan 0.000 0.440 453 M N -0.064 119.468 119.600 -0.115 0.000 2.561 453 M HA -0.012 4.465 4.480 -0.005 0.000 0.238 453 M C 1.505 177.784 176.300 -0.034 0.000 1.131 453 M CA 0.625 55.896 55.300 -0.049 0.000 1.046 453 M CB 0.485 33.072 32.600 -0.022 0.000 1.532 453 M HN 0.229 nan 8.290 nan 0.000 0.497 454 Q N 0.123 119.883 119.800 -0.068 0.000 2.287 454 Q HA 0.093 4.431 4.340 -0.005 0.000 0.201 454 Q C 1.894 177.964 176.000 0.116 0.000 0.946 454 Q CA 0.761 56.577 55.803 0.023 0.000 0.868 454 Q CB 0.511 29.236 28.738 -0.022 0.000 0.967 454 Q HN 0.488 nan 8.270 nan 0.000 0.516 455 L N -0.152 120.984 121.223 -0.144 0.000 2.127 455 L HA 0.006 4.344 4.340 -0.005 0.000 0.203 455 L C 1.065 177.971 176.870 0.059 0.000 1.080 455 L CA 0.481 55.209 54.840 -0.187 0.000 0.768 455 L CB -0.279 41.397 42.059 -0.640 0.000 0.924 455 L HN 0.177 nan 8.230 nan 0.000 0.444 456 R N -0.281 120.224 120.500 0.008 0.000 3.830 456 R HA -0.340 3.997 4.340 -0.005 0.000 0.431 456 R C 1.288 177.662 176.300 0.125 0.000 0.243 456 R CA 1.828 57.981 56.100 0.089 0.000 1.371 456 R CB -1.518 28.872 30.300 0.151 0.000 0.946 456 R HN 0.128 nan 8.270 nan 0.000 0.585 457 D N 0.282 120.798 120.400 0.194 0.000 2.178 457 D HA -0.023 4.614 4.640 -0.005 0.000 0.202 457 D C 1.185 177.639 176.300 0.258 0.000 0.974 457 D CA 1.006 55.132 54.000 0.211 0.000 0.841 457 D CB -0.414 40.515 40.800 0.214 0.000 0.953 457 D HN 0.264 nan 8.370 nan 0.000 0.478 458 N N 0.026 118.848 118.700 0.202 0.000 2.575 458 N HA -0.018 4.720 4.740 -0.005 0.000 0.192 458 N C 0.123 175.711 175.510 0.130 0.000 1.200 458 N CA 0.190 53.383 53.050 0.238 0.000 0.897 458 N CB 0.538 39.132 38.487 0.179 0.000 0.990 458 N HN 0.179 nan 8.380 nan 0.000 0.449 459 V N -3.482 116.404 119.914 -0.047 0.000 3.216 459 V HA 0.447 4.564 4.120 -0.005 0.000 0.302 459 V C -0.633 175.256 176.094 -0.342 0.000 1.286 459 V CA -1.383 60.651 62.300 -0.444 0.000 1.048 459 V CB 2.538 34.078 31.823 -0.473 0.000 1.081 459 V HN -0.179 nan 8.190 nan 0.000 0.442 460 K N 1.441 121.535 120.400 -0.511 0.000 2.234 460 K HA 0.406 4.723 4.320 -0.005 0.000 0.277 460 K C -0.180 176.364 176.600 -0.093 0.000 1.038 460 K CA -0.304 55.875 56.287 -0.179 0.000 0.888 460 K CB 1.315 33.721 32.500 -0.157 0.000 1.091 460 K HN 0.950 nan 8.250 nan 0.000 0.467 461 E N 5.840 126.018 120.200 -0.037 0.000 1.932 461 E HA 0.018 4.365 4.350 -0.005 0.000 0.275 461 E C 0.843 177.359 176.600 -0.140 0.000 1.159 461 E CA -0.156 56.153 56.400 -0.151 0.000 0.905 461 E CB 0.380 30.056 29.700 -0.041 0.000 1.059 461 E HN 0.703 nan 8.360 nan 0.000 0.400 462 L N 2.897 124.013 121.223 -0.177 0.000 2.079 462 L HA -0.126 4.211 4.340 -0.005 0.000 0.210 462 L C 1.656 178.486 176.870 -0.067 0.000 1.081 462 L CA 1.377 56.162 54.840 -0.091 0.000 0.752 462 L CB -0.365 41.652 42.059 -0.070 0.000 0.896 462 L HN 0.902 nan 8.230 nan 0.000 0.433 463 G N -0.087 108.661 108.800 -0.086 0.000 2.201 463 G HA2 -0.250 3.707 3.960 -0.005 0.000 0.212 463 G HA3 -0.250 3.707 3.960 -0.005 0.000 0.212 463 G C 0.399 175.322 174.900 0.039 0.000 0.994 463 G CA 0.337 45.402 45.100 -0.058 0.000 0.644 463 G HN 0.502 nan 8.290 nan 0.000 0.508 464 N N 0.710 119.436 118.700 0.044 0.000 2.279 464 N HA 0.440 5.177 4.740 -0.005 0.000 0.226 464 N C 1.424 176.985 175.510 0.085 0.000 1.126 464 N CA 0.442 53.539 53.050 0.079 0.000 0.846 464 N CB 0.094 38.604 38.487 0.040 0.000 1.050 464 N HN 1.618 nan 8.380 nan 0.000 0.502 465 G N -0.855 108.020 108.800 0.126 0.000 2.136 465 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.242 465 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.242 465 G C -0.240 174.788 174.900 0.214 0.000 0.989 465 G CA 0.180 45.382 45.100 0.170 0.000 0.682 465 G HN 0.501 nan 8.290 nan 0.000 0.522 466 c N -0.720 117.871 118.600 -0.015 0.000 2.562 466 c HA 0.879 5.446 4.570 -0.005 0.000 0.332 466 c C -0.292 173.553 174.090 -0.408 0.000 1.201 466 c CA -0.726 55.582 56.329 -0.034 0.000 1.803 466 c CB 1.082 43.628 42.510 0.061 0.000 2.328 466 c HN 0.333 nan 8.230 nan 0.000 0.500 467 F N 1.286 121.288 119.950 0.087 0.000 2.536 467 F HA 0.396 4.919 4.527 -0.005 0.000 0.322 467 F C 0.004 175.759 175.800 -0.076 0.000 1.144 467 F CA -0.415 57.545 58.000 -0.067 0.000 0.924 467 F CB 1.199 40.087 39.000 -0.187 0.000 1.181 467 F HN 0.504 nan 8.300 nan 0.000 0.438 468 E N 3.543 123.733 120.200 -0.016 0.000 2.081 468 E HA 0.376 4.723 4.350 -0.005 0.000 0.281 468 E C -1.117 175.356 176.600 -0.212 0.000 0.986 468 E CA -0.440 55.932 56.400 -0.047 0.000 0.796 468 E CB 0.476 30.123 29.700 -0.090 0.000 1.085 468 E HN 0.296 nan 8.360 nan 0.000 0.398 469 F N 3.590 123.395 119.950 -0.242 0.000 2.529 469 F HA 0.065 4.589 4.527 -0.005 0.000 0.365 469 F C 0.769 176.385 175.800 -0.308 0.000 1.102 469 F CA 0.358 58.146 58.000 -0.353 0.000 1.271 469 F CB 0.401 39.118 39.000 -0.472 0.000 1.120 469 F HN 0.660 nan 8.300 nan 0.000 0.579 470 Y N -0.240 120.104 120.300 0.073 0.000 2.420 470 Y HA -0.048 4.499 4.550 -0.004 0.000 0.292 470 Y C 1.049 177.023 175.900 0.123 0.000 1.119 470 Y CA 0.227 58.384 58.100 0.094 0.000 1.229 470 Y CB -0.205 38.317 38.460 0.105 0.000 1.026 470 Y HN 0.604 nan 8.280 nan 0.000 0.554 471 H N -1.669 117.566 119.070 0.275 0.000 2.523 471 H HA 0.489 5.042 4.556 -0.005 0.000 0.345 471 H C -0.656 174.743 175.328 0.118 0.000 1.261 471 H CA -1.587 54.560 56.048 0.166 0.000 1.343 471 H CB 0.676 30.498 29.762 0.101 0.000 1.650 471 H HN -0.345 nan 8.280 nan 0.000 0.591 472 K N 0.354 120.852 120.400 0.163 0.000 2.339 472 K HA 0.254 4.571 4.320 -0.005 0.000 0.286 472 K C -1.373 175.227 176.600 0.000 0.000 1.050 472 K CA -0.269 56.035 56.287 0.029 0.000 0.956 472 K CB 0.459 32.989 32.500 0.050 0.000 0.990 472 K HN 0.675 nan 8.250 nan 0.000 0.475 473 c N 6.190 124.641 118.600 -0.248 0.000 2.335 473 c HA 0.372 4.940 4.570 -0.005 0.000 0.318 473 c C -0.517 173.425 174.090 -0.245 0.000 1.150 473 c CA -0.872 55.243 56.329 -0.356 0.000 1.466 473 c CB -1.250 40.607 42.510 -1.088 0.000 2.024 473 c HN 1.011 nan 8.230 nan 0.000 0.429 474 D N 2.794 123.119 120.400 -0.126 0.000 2.440 474 D HA 0.172 4.809 4.640 -0.005 0.000 0.269 474 D C 0.834 177.057 176.300 -0.128 0.000 1.249 474 D CA -0.142 53.797 54.000 -0.101 0.000 1.055 474 D CB 0.604 41.370 40.800 -0.057 0.000 1.104 474 D HN 0.381 nan 8.370 nan 0.000 0.561 475 D N -1.001 119.333 120.400 -0.110 0.000 2.144 475 D HA -0.118 4.519 4.640 -0.005 0.000 0.200 475 D C 1.702 177.922 176.300 -0.133 0.000 0.978 475 D CA 0.821 54.731 54.000 -0.150 0.000 0.833 475 D CB -0.016 40.716 40.800 -0.114 0.000 0.961 475 D HN 0.418 nan 8.370 nan 0.000 0.470 476 E N 0.224 120.374 120.200 -0.084 0.000 2.153 476 E HA -0.128 4.219 4.350 -0.005 0.000 0.194 476 E C 2.281 178.854 176.600 -0.045 0.000 0.988 476 E CA 0.403 56.767 56.400 -0.060 0.000 0.811 476 E CB -0.361 29.317 29.700 -0.038 0.000 0.746 476 E HN 0.329 nan 8.360 nan 0.000 0.466 477 c N 0.444 119.020 118.600 -0.039 0.000 2.467 477 c HA 0.009 4.576 4.570 -0.005 0.000 0.279 477 c C 2.533 176.627 174.090 0.008 0.000 1.347 477 c CA 0.073 56.419 56.329 0.029 0.000 1.748 477 c CB -0.651 41.895 42.510 0.061 0.000 1.977 477 c HN 0.256 nan 8.230 nan 0.000 0.501 478 M N 2.086 121.607 119.600 -0.130 0.000 2.080 478 M HA -0.092 4.385 4.480 -0.005 0.000 0.260 478 M C 1.807 177.995 176.300 -0.186 0.000 1.068 478 M CA 1.662 56.840 55.300 -0.203 0.000 1.109 478 M CB -1.586 30.790 32.600 -0.372 0.000 1.342 478 M HN 0.507 nan 8.290 nan 0.000 0.405 479 N N 0.574 119.175 118.700 -0.165 0.000 2.223 479 N HA -0.104 4.634 4.740 -0.005 0.000 0.185 479 N C 1.820 177.285 175.510 -0.075 0.000 1.016 479 N CA 1.727 54.695 53.050 -0.137 0.000 0.863 479 N CB -0.581 37.844 38.487 -0.103 0.000 0.983 479 N HN 0.467 nan 8.380 nan 0.000 0.429 480 S N 0.226 115.917 115.700 -0.014 0.000 2.382 480 S HA -0.086 4.381 4.470 -0.005 0.000 0.228 480 S C 2.108 176.748 174.600 0.067 0.000 1.027 480 S CA 1.142 59.373 58.200 0.051 0.000 0.991 480 S CB -0.739 62.530 63.200 0.114 0.000 0.823 480 S HN 0.051 nan 8.310 nan 0.000 0.469 481 V N 2.655 122.588 119.914 0.032 0.000 2.343 481 V HA -0.175 3.943 4.120 -0.005 0.000 0.247 481 V C 2.665 178.676 176.094 -0.137 0.000 1.051 481 V CA 2.154 64.423 62.300 -0.052 0.000 1.036 481 V CB -0.799 30.953 31.823 -0.118 0.000 0.654 481 V HN 0.549 nan 8.190 nan 0.000 0.451 482 K N 0.224 120.468 120.400 -0.260 0.000 2.057 482 K HA -0.136 4.181 4.320 -0.005 0.000 0.206 482 K C 2.073 178.634 176.600 -0.065 0.000 1.050 482 K CA 1.462 57.562 56.287 -0.312 0.000 0.935 482 K CB -0.401 31.840 32.500 -0.433 0.000 0.715 482 K HN 0.324 nan 8.250 nan 0.000 0.439 483 N N 0.306 118.981 118.700 -0.043 0.000 2.137 483 N HA -0.126 4.612 4.740 -0.005 0.000 0.190 483 N C 1.118 176.645 175.510 0.029 0.000 1.017 483 N CA 1.681 54.734 53.050 0.005 0.000 0.859 483 N CB -0.234 38.256 38.487 0.005 0.000 1.002 483 N HN 0.485 nan 8.380 nan 0.000 0.428 484 G N -2.058 106.762 108.800 0.034 0.000 2.132 484 G HA2 -0.226 3.731 3.960 -0.005 0.000 0.228 484 G HA3 -0.226 3.731 3.960 -0.005 0.000 0.228 484 G C 0.485 175.422 174.900 0.062 0.000 1.000 484 G CA 0.709 45.839 45.100 0.050 0.000 0.693 484 G HN 0.380 nan 8.290 nan 0.000 0.515 485 T N -0.581 114.017 114.554 0.072 0.000 3.085 485 T HA 0.262 4.609 4.350 -0.005 0.000 0.264 485 T C 0.583 175.344 174.700 0.102 0.000 1.019 485 T CA -0.177 61.962 62.100 0.065 0.000 0.910 485 T CB 0.366 69.256 68.868 0.038 0.000 1.059 485 T HN 0.477 nan 8.240 nan 0.000 0.542 486 Y N 3.914 124.228 120.300 0.023 0.000 2.717 486 Y HA 0.309 4.856 4.550 -0.005 0.000 0.330 486 Y C -0.049 175.906 175.900 0.091 0.000 1.217 486 Y CA -0.064 58.070 58.100 0.057 0.000 1.506 486 Y CB 0.258 38.760 38.460 0.070 0.000 1.268 486 Y HN 0.155 nan 8.280 nan 0.000 0.561 487 D N 5.655 125.799 120.400 -0.428 0.000 2.365 487 D HA 0.009 4.646 4.640 -0.005 0.000 0.131 487 D C -1.796 174.385 176.300 -0.198 0.000 1.072 487 D CA -0.414 53.467 54.000 -0.197 0.000 1.280 487 D CB -1.190 39.571 40.800 -0.066 0.000 2.399 487 D HN 0.597 nan 8.370 nan 0.000 0.669 488 Y N 3.320 123.378 120.300 -0.404 0.000 3.544 488 Y HA 0.235 4.782 4.550 -0.005 0.000 0.180 488 Y C -2.810 172.869 175.900 -0.368 0.000 0.573 488 Y CA -0.572 57.215 58.100 -0.522 0.000 1.092 488 Y CB 0.663 38.903 38.460 -0.367 0.000 1.192 488 Y HN 0.163 nan 8.280 nan 0.000 0.619 489 P HA 0.403 nan 4.420 nan 0.000 0.219 489 P C -1.258 175.021 177.300 -1.701 0.000 1.847 489 P CA 0.151 63.000 63.100 -0.419 0.000 1.110 489 P CB 0.428 32.107 31.700 -0.035 0.000 1.839 490 K N 1.584 120.716 120.400 -2.113 0.000 2.556 490 K HA 0.498 4.815 4.320 -0.005 0.000 0.274 490 K C -0.696 175.441 176.600 -0.771 0.000 0.966 490 K CA -0.630 54.562 56.287 -1.824 0.000 0.865 490 K CB 2.400 34.217 32.500 -1.138 0.000 1.444 490 K HN 0.179 nan 8.250 nan 0.000 0.433 491 Y N -0.807 119.456 120.300 -0.062 0.000 2.079 491 Y HA -0.097 4.451 4.550 -0.004 0.000 0.065 491 Y C 0.389 176.290 175.900 0.001 0.000 1.029 491 Y CA -0.324 57.761 58.100 -0.026 0.000 1.720 491 Y CB -0.144 38.297 38.460 -0.032 0.000 1.044 491 Y HN 0.649 nan 8.280 nan 0.000 0.176 492 E N 3.265 123.604 120.200 0.231 0.000 3.379 492 E HA 0.271 4.618 4.350 -0.005 0.000 0.257 492 E C 0.400 177.051 176.600 0.085 0.000 0.882 492 E CA 1.146 57.631 56.400 0.142 0.000 0.962 492 E CB -1.280 28.519 29.700 0.166 0.000 0.900 492 E HN 0.585 nan 8.360 nan 0.000 0.560 493 E N 0.000 120.190 120.200 -0.016 0.000 2.725 493 E HA 0.000 4.347 4.350 -0.005 0.000 0.291 493 E CA 0.000 56.397 56.400 -0.005 0.000 0.976 493 E CB 0.000 29.676 29.700 -0.040 0.000 0.812 493 E HN 0.000 nan 8.360 nan 0.000 0.440