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 3nsn_1_A DATA FIRST_RESID 23 DATA SEQUENCE EDVVWRWScD NGKCVKLKND PRSSEPALSL EACKMFcNEY GLLWPRPTGE DATA SEQUENCE ADLGNFLSKI NLNSIEVKIL KKGATDDLME AAAKRFKEQV SLAIPRGSTP DATA SEQUENCE KLTGKAVDVY LVNENPNEKA FSLEMDESYG LRVSPSGADR VNATITANSF DATA SEQUENCE FGMRHGLETL SQLFVFDDIR DHLLMVRDVN ISDKPVYPYR GILLDTARNY DATA SEQUENCE YSIESIKRTI EAMAAVKLNT FHWHITDSQS FPFVTTKRPN LYKFGALSPQ DATA SEQUENCE KVYTKAAIRE VVRFGLERGV RVLPEFDAPA HVGEGWQDTD LTVCFKAEPW DATA SEQUENCE KSYcVEPPcG QLNPTKDELY QYLEDIYSDM AEVFDTTDIF HMGGDEVSEA DATA SEQUENCE CWNSSDSIQN FMMQNRWDLD KESFLKLWNY FQQKAQDKAY KAFGKKLPLI DATA SEQUENCE LWTSTLTNYK HIDDYLNKDD YIIQVWTTGV DPQIKGLLEK GYRLIMSNYD DATA SEQUENCE ALYFDcGYGA WVGAGNNWcS PYIGWQKVYD NSPAVIALEH RDQVLGGEAA DATA SEQUENCE LWSEQSDTST LDGRLWPRAA ALAERLWAEP ATSWQDAEYR MLHIRERLVR DATA SEQUENCE MGIQAESLQP EWcYQNEGYc YS 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 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.620 176.600 0.034 0.000 1.382 23 E CA 0.000 56.416 56.400 0.026 0.000 0.976 23 E CB 0.000 29.709 29.700 0.015 0.000 0.812 24 D N 0.403 120.818 120.400 0.025 0.000 2.457 24 D HA 0.384 5.025 4.640 0.001 0.000 0.240 24 D C -0.702 175.619 176.300 0.036 0.000 1.041 24 D CA -0.670 53.347 54.000 0.028 0.000 0.861 24 D CB 2.491 43.293 40.800 0.004 0.000 1.394 24 D HN 0.363 nan 8.370 nan 0.000 0.473 25 V N 1.364 121.318 119.914 0.068 0.000 2.673 25 V HA -0.001 4.120 4.120 0.001 0.000 0.303 25 V C 0.503 176.608 176.094 0.019 0.000 1.046 25 V CA 0.238 62.599 62.300 0.103 0.000 1.126 25 V CB 0.994 32.937 31.823 0.200 0.000 0.934 25 V HN 0.394 nan 8.190 nan 0.000 0.487 26 V N 5.963 125.841 119.914 -0.059 0.000 3.590 26 V HA 0.257 4.378 4.120 0.001 0.000 0.265 26 V C 0.461 176.278 176.094 -0.462 0.000 1.239 26 V CA 0.333 62.446 62.300 -0.312 0.000 1.117 26 V CB -0.327 31.195 31.823 -0.501 0.000 0.818 26 V HN 0.896 nan 8.190 nan 0.000 0.451 27 W N 0.425 121.662 121.300 -0.105 0.000 2.736 27 W HA 0.696 5.356 4.660 0.001 0.000 0.355 27 W C 0.344 176.662 176.519 -0.335 0.000 1.102 27 W CA -0.850 56.300 57.345 -0.324 0.000 1.164 27 W CB 0.965 30.072 29.460 -0.587 0.000 1.422 27 W HN -0.075 nan 8.180 nan 0.000 0.572 28 R N 0.134 120.489 120.500 -0.242 0.000 2.817 28 R HA 0.627 4.967 4.340 0.001 0.000 0.268 28 R C -1.496 174.630 176.300 -0.290 0.000 1.027 28 R CA -0.882 55.180 56.100 -0.063 0.000 0.928 28 R CB 2.028 32.349 30.300 0.036 0.000 1.228 28 R HN 0.607 nan 8.270 nan 0.000 0.469 29 W N 0.290 121.611 121.300 0.036 0.000 2.936 29 W HA 0.520 5.180 4.660 0.001 0.000 0.338 29 W C -0.757 175.760 176.519 -0.003 0.000 1.121 29 W CA -0.875 56.468 57.345 -0.004 0.000 1.209 29 W CB 2.636 32.066 29.460 -0.051 0.000 1.420 29 W HN 0.604 nan 8.180 nan 0.000 0.516 30 S N 1.523 117.328 115.700 0.176 0.000 2.571 30 S HA 0.312 4.783 4.470 0.001 0.000 0.284 30 S C -0.938 173.708 174.600 0.078 0.000 1.128 30 S CA -0.379 57.883 58.200 0.102 0.000 0.970 30 S CB 1.094 64.327 63.200 0.055 0.000 1.039 30 S HN 0.528 nan 8.310 nan 0.000 0.485 31 c N 4.080 122.717 118.600 0.062 0.000 2.629 31 c HA 0.607 5.178 4.570 0.001 0.000 0.410 31 c C -0.455 173.648 174.090 0.022 0.000 1.339 31 c CA 0.203 56.556 56.329 0.039 0.000 1.810 31 c CB -0.909 41.625 42.510 0.039 0.000 2.549 31 c HN 0.865 nan 8.230 nan 0.000 0.589 32 D N 4.575 124.982 120.400 0.012 0.000 2.602 32 D HA 0.249 4.890 4.640 0.001 0.000 0.245 32 D C -0.026 176.270 176.300 -0.006 0.000 1.325 32 D CA -0.082 53.919 54.000 0.001 0.000 0.952 32 D CB 0.340 41.139 40.800 -0.001 0.000 1.317 32 D HN 0.797 nan 8.370 nan 0.000 0.577 33 N N 2.981 121.677 118.700 -0.007 0.000 2.735 33 N HA -0.229 4.512 4.740 0.001 0.000 0.248 33 N C 0.780 176.292 175.510 0.004 0.000 1.083 33 N CA 0.862 53.906 53.050 -0.009 0.000 0.703 33 N CB -0.758 37.716 38.487 -0.022 0.000 1.005 33 N HN 0.857 nan 8.380 nan 0.000 0.550 34 G N -0.646 108.164 108.800 0.017 0.000 2.179 34 G HA2 -0.329 3.631 3.960 0.001 0.000 0.260 34 G HA3 -0.329 3.631 3.960 0.001 0.000 0.260 34 G C -0.104 174.847 174.900 0.084 0.000 0.977 34 G CA 0.933 46.063 45.100 0.048 0.000 0.641 34 G HN 0.489 nan 8.290 nan 0.000 0.533 35 K N -0.263 120.156 120.400 0.031 0.000 2.292 35 K HA 0.577 4.898 4.320 0.001 0.000 0.257 35 K C -0.230 176.345 176.600 -0.041 0.000 0.940 35 K CA -0.778 55.491 56.287 -0.029 0.000 0.811 35 K CB 1.968 34.438 32.500 -0.051 0.000 1.120 35 K HN 0.106 nan 8.250 nan 0.000 0.428 36 C N 3.171 122.424 119.300 -0.078 0.000 2.442 36 C HA 0.221 4.682 4.460 0.001 0.000 0.362 36 C C 0.544 175.602 174.990 0.113 0.000 1.242 36 C CA -0.929 58.101 59.018 0.019 0.000 1.741 36 C CB -0.642 27.071 27.740 -0.045 0.000 2.378 36 C HN 0.598 nan 8.230 nan 0.000 0.549 37 V N 4.558 124.540 119.914 0.114 0.000 2.427 37 V HA 0.464 4.585 4.120 0.001 0.000 0.286 37 V C -0.042 175.999 176.094 -0.087 0.000 1.034 37 V CA -0.557 61.774 62.300 0.051 0.000 0.893 37 V CB 1.141 32.980 31.823 0.027 0.000 0.982 37 V HN 0.865 nan 8.190 nan 0.000 0.452 38 K N 5.457 125.681 120.400 -0.293 0.000 2.339 38 K HA 0.556 4.877 4.320 0.001 0.000 0.286 38 K C -1.135 175.215 176.600 -0.417 0.000 1.050 38 K CA -0.310 55.502 56.287 -0.791 0.000 0.956 38 K CB 0.494 32.459 32.500 -0.892 0.000 0.990 38 K HN 0.834 nan 8.250 nan 0.000 0.475 39 L N 3.350 124.387 121.223 -0.311 0.000 2.388 39 L HA 0.387 4.727 4.340 0.001 0.000 0.264 39 L C -0.624 176.330 176.870 0.140 0.000 0.998 39 L CA -1.268 53.558 54.840 -0.022 0.000 0.817 39 L CB 1.910 43.945 42.059 -0.040 0.000 1.338 39 L HN 0.514 nan 8.230 nan 0.000 0.414 40 K N 1.599 122.102 120.400 0.172 0.000 2.401 40 K HA -0.003 4.318 4.320 0.001 0.000 0.278 40 K C 0.181 176.728 176.600 -0.088 0.000 1.018 40 K CA 0.378 56.643 56.287 -0.038 0.000 0.981 40 K CB 0.362 32.791 32.500 -0.120 0.000 0.933 40 K HN 0.552 nan 8.250 nan 0.000 0.477 41 N N 4.311 122.915 118.700 -0.160 0.000 2.968 41 N HA -0.011 4.729 4.740 0.001 0.000 0.271 41 N C -1.029 174.419 175.510 -0.104 0.000 1.174 41 N CA -0.523 52.465 53.050 -0.103 0.000 1.096 41 N CB 0.211 38.645 38.487 -0.089 0.000 1.403 41 N HN 0.534 nan 8.380 nan 0.000 0.522 42 D N 2.463 122.816 120.400 -0.080 0.000 2.390 42 D HA 0.044 4.685 4.640 0.001 0.000 0.249 42 D C -0.881 175.389 176.300 -0.050 0.000 1.144 42 D CA -1.324 52.634 54.000 -0.069 0.000 0.880 42 D CB 1.551 42.319 40.800 -0.052 0.000 1.182 42 D HN 0.419 nan 8.370 nan 0.000 0.451 43 P HA -0.096 nan 4.420 nan 0.000 0.218 43 P C 0.279 177.564 177.300 -0.025 0.000 1.149 43 P CA 0.661 63.739 63.100 -0.036 0.000 0.817 43 P CB 0.428 32.106 31.700 -0.038 0.000 0.785 44 R N 0.470 120.955 120.500 -0.024 0.000 4.556 44 R HA 0.372 4.712 4.340 0.001 0.000 0.197 44 R C 0.190 176.482 176.300 -0.013 0.000 1.791 44 R CA 0.028 56.118 56.100 -0.017 0.000 1.526 44 R CB -0.328 29.962 30.300 -0.016 0.000 1.410 44 R HN 0.049 nan 8.270 nan 0.000 0.826 45 S N -1.034 114.659 115.700 -0.011 0.000 2.540 45 S HA 0.255 4.726 4.470 0.001 0.000 0.275 45 S C 0.359 174.958 174.600 -0.003 0.000 1.123 45 S CA -0.647 57.549 58.200 -0.006 0.000 0.907 45 S CB 1.954 65.150 63.200 -0.007 0.000 1.081 45 S HN 0.253 nan 8.310 nan 0.000 0.476 46 S N 1.920 117.621 115.700 0.001 0.000 2.556 46 S HA 0.185 4.656 4.470 0.001 0.000 0.216 46 S C 0.321 174.926 174.600 0.008 0.000 0.970 46 S CA -0.156 58.046 58.200 0.003 0.000 0.912 46 S CB -0.017 63.185 63.200 0.003 0.000 0.790 46 S HN 0.724 nan 8.310 nan 0.000 0.504 47 E N 2.888 123.094 120.200 0.009 0.000 2.200 47 E HA 0.246 4.596 4.350 0.001 0.000 0.283 47 E C -2.701 173.911 176.600 0.020 0.000 1.015 47 E CA -2.393 54.016 56.400 0.016 0.000 0.819 47 E CB 0.770 30.480 29.700 0.016 0.000 1.081 47 E HN 0.023 nan 8.360 nan 0.000 0.397 48 P HA 0.097 nan 4.420 nan 0.000 0.271 48 P C -1.092 176.233 177.300 0.042 0.000 1.226 48 P CA -0.240 62.879 63.100 0.032 0.000 0.765 48 P CB 0.990 32.714 31.700 0.041 0.000 0.835 49 A N 4.295 127.139 122.820 0.039 0.000 2.477 49 A HA 0.332 4.653 4.320 0.001 0.000 0.246 49 A C 0.015 177.650 177.584 0.085 0.000 1.078 49 A CA -0.312 51.759 52.037 0.057 0.000 0.770 49 A CB -0.281 18.746 19.000 0.045 0.000 1.011 49 A HN 0.577 nan 8.150 nan 0.000 0.494 50 L N 2.753 124.051 121.223 0.126 0.000 2.295 50 L HA 0.370 4.711 4.340 0.001 0.000 0.285 50 L C 0.991 178.003 176.870 0.237 0.000 1.035 50 L CA -0.520 54.411 54.840 0.152 0.000 0.806 50 L CB 1.713 43.865 42.059 0.155 0.000 1.214 50 L HN 0.929 nan 8.230 nan 0.000 0.426 51 S N 2.705 118.501 115.700 0.160 0.000 2.608 51 S HA 0.175 4.646 4.470 0.001 0.000 0.261 51 S C 1.104 175.691 174.600 -0.023 0.000 1.314 51 S CA -0.655 57.632 58.200 0.145 0.000 0.992 51 S CB 1.138 64.355 63.200 0.028 0.000 0.935 51 S HN 0.715 nan 8.310 nan 0.000 0.564 52 L N 0.489 121.457 121.223 -0.424 0.000 1.994 52 L HA -0.128 4.213 4.340 0.001 0.000 0.208 52 L C 2.706 179.287 176.870 -0.482 0.000 1.071 52 L CA 1.964 56.244 54.840 -0.933 0.000 0.745 52 L CB -0.691 40.526 42.059 -1.405 0.000 0.892 52 L HN 0.888 nan 8.230 nan 0.000 0.431 53 E N -0.360 119.669 120.200 -0.284 0.000 2.110 53 E HA -0.213 4.138 4.350 0.001 0.000 0.193 53 E C 2.135 178.652 176.600 -0.138 0.000 0.988 53 E CA 1.092 57.391 56.400 -0.169 0.000 0.804 53 E CB -0.112 29.563 29.700 -0.041 0.000 0.745 53 E HN 0.624 nan 8.360 nan 0.000 0.458 54 A N 0.640 123.415 122.820 -0.075 0.000 1.933 54 A HA -0.218 4.103 4.320 0.001 0.000 0.218 54 A C 2.369 179.971 177.584 0.030 0.000 1.175 54 A CA 1.306 53.343 52.037 0.000 0.000 0.628 54 A CB -1.009 18.027 19.000 0.061 0.000 0.814 54 A HN 0.474 nan 8.150 nan 0.000 0.444 55 C N -0.330 118.969 119.300 -0.001 0.000 2.453 55 C HA -0.048 4.413 4.460 0.001 0.000 0.277 55 C C 2.657 177.622 174.990 -0.041 0.000 1.262 55 C CA 1.541 60.574 59.018 0.026 0.000 1.718 55 C CB -1.165 26.604 27.740 0.048 0.000 2.031 55 C HN 0.633 nan 8.230 nan 0.000 0.480 56 K N -0.088 120.224 120.400 -0.146 0.000 2.152 56 K HA -0.197 4.124 4.320 0.001 0.000 0.206 56 K C 1.922 178.420 176.600 -0.171 0.000 1.048 56 K CA 1.790 57.978 56.287 -0.164 0.000 0.933 56 K CB -0.331 32.030 32.500 -0.233 0.000 0.721 56 K HN 0.457 nan 8.250 nan 0.000 0.447 57 M N -0.274 119.170 119.600 -0.260 0.000 2.149 57 M HA -0.120 4.361 4.480 0.001 0.000 0.261 57 M C 0.990 176.915 176.300 -0.624 0.000 1.064 57 M CA 1.798 56.810 55.300 -0.481 0.000 1.102 57 M CB 0.017 32.226 32.600 -0.651 0.000 1.369 57 M HN 0.059 nan 8.290 nan 0.000 0.408 58 F N -2.802 117.117 119.950 -0.052 0.000 2.694 58 F HA 0.175 4.703 4.527 0.001 0.000 0.292 58 F C 2.350 178.117 175.800 -0.054 0.000 1.121 58 F CA 0.052 58.016 58.000 -0.061 0.000 1.352 58 F CB -1.151 37.801 39.000 -0.080 0.000 1.107 58 F HN 0.227 nan 8.300 nan 0.000 0.597 59 c N 0.263 118.915 118.600 0.087 0.000 2.440 59 c HA -0.032 4.539 4.570 0.001 0.000 0.278 59 c C 1.494 175.604 174.090 0.032 0.000 1.295 59 c CA 0.586 56.945 56.329 0.049 0.000 1.738 59 c CB -1.146 41.380 42.510 0.027 0.000 1.987 59 c HN 0.295 nan 8.230 nan 0.000 0.492 60 N N 0.738 119.447 118.700 0.015 0.000 2.529 60 N HA -0.002 4.739 4.740 0.001 0.000 0.278 60 N C 0.889 176.380 175.510 -0.033 0.000 1.146 60 N CA 0.270 53.338 53.050 0.030 0.000 0.980 60 N CB 0.852 39.378 38.487 0.066 0.000 1.124 60 N HN 0.598 nan 8.380 nan 0.000 0.458 61 E N 2.582 122.732 120.200 -0.083 0.000 2.118 61 E HA -0.220 4.131 4.350 0.001 0.000 0.195 61 E C 0.127 176.460 176.600 -0.445 0.000 0.992 61 E CA 1.614 57.848 56.400 -0.278 0.000 0.804 61 E CB 0.027 29.496 29.700 -0.384 0.000 0.741 61 E HN 0.675 nan 8.360 nan 0.000 0.458 62 Y N -0.430 119.880 120.300 0.016 0.000 2.555 62 Y HA 0.328 4.878 4.550 0.001 0.000 0.259 62 Y C 1.200 177.091 175.900 -0.016 0.000 1.179 62 Y CA 0.100 58.205 58.100 0.007 0.000 1.230 62 Y CB 0.787 39.256 38.460 0.015 0.000 1.146 62 Y HN 0.263 nan 8.280 nan 0.000 0.526 63 G N 1.036 109.855 108.800 0.032 0.000 2.591 63 G HA2 -0.351 3.610 3.960 0.001 0.000 0.298 63 G HA3 -0.351 3.610 3.960 0.001 0.000 0.298 63 G C 0.682 175.556 174.900 -0.043 0.000 1.195 63 G CA 0.617 45.677 45.100 -0.067 0.000 0.989 63 G HN 0.267 nan 8.290 nan 0.000 0.551 64 L N 1.094 122.253 121.223 -0.106 0.000 2.667 64 L HA 0.378 4.718 4.340 0.001 0.000 0.232 64 L C 0.825 177.723 176.870 0.046 0.000 1.138 64 L CA -0.291 54.456 54.840 -0.155 0.000 0.921 64 L CB -0.175 41.647 42.059 -0.396 0.000 1.180 64 L HN 0.239 nan 8.230 nan 0.000 0.487 65 L N 0.534 121.819 121.223 0.103 0.000 2.426 65 L HA 0.137 4.478 4.340 0.001 0.000 0.271 65 L C -0.613 176.393 176.870 0.227 0.000 1.169 65 L CA 0.310 55.231 54.840 0.136 0.000 0.836 65 L CB 0.646 42.756 42.059 0.085 0.000 1.112 65 L HN 0.210 nan 8.230 nan 0.000 0.465 66 W N 5.493 126.796 121.300 0.004 0.000 3.326 66 W HA 0.355 5.015 4.660 0.001 0.000 0.333 66 W C -2.777 173.679 176.519 -0.104 0.000 1.108 66 W CA -1.804 55.532 57.345 -0.016 0.000 1.245 66 W CB 2.220 31.700 29.460 0.032 0.000 1.331 66 W HN 0.234 nan 8.180 nan 0.000 0.464 67 P HA 0.215 nan 4.420 nan 0.000 0.274 67 P C -0.425 176.631 177.300 -0.407 0.000 1.237 67 P CA -0.020 62.698 63.100 -0.637 0.000 0.793 67 P CB 0.668 32.040 31.700 -0.548 0.000 0.977 68 R N 1.442 121.669 120.500 -0.455 0.000 2.590 68 R HA 0.364 4.704 4.340 0.001 0.000 0.274 68 R C -2.317 173.848 176.300 -0.225 0.000 1.061 68 R CA -1.425 54.419 56.100 -0.426 0.000 1.081 68 R CB -1.378 28.343 30.300 -0.965 0.000 0.984 68 R HN 0.304 nan 8.270 nan 0.000 0.448 69 P HA 0.045 nan 4.420 nan 0.000 0.272 69 P C 0.165 177.485 177.300 0.034 0.000 1.230 69 P CA -0.387 62.761 63.100 0.080 0.000 0.788 69 P CB 0.970 32.719 31.700 0.082 0.000 0.949 70 T N -2.489 112.102 114.554 0.062 0.000 3.037 70 T HA 0.224 4.575 4.350 0.001 0.000 0.252 70 T C 1.211 175.901 174.700 -0.018 0.000 1.073 70 T CA 0.590 62.682 62.100 -0.014 0.000 1.091 70 T CB -0.499 68.314 68.868 -0.092 0.000 0.935 70 T HN 0.417 nan 8.240 nan 0.000 0.488 71 G N 0.880 109.670 108.800 -0.016 0.000 3.329 71 G HA2 0.416 4.377 3.960 0.001 0.000 0.180 71 G HA3 0.416 4.377 3.960 0.001 0.000 0.180 71 G C -0.458 174.450 174.900 0.013 0.000 1.640 71 G CA -0.557 44.530 45.100 -0.022 0.000 1.018 71 G HN 0.233 nan 8.290 nan 0.000 0.581 72 E N 0.799 121.002 120.200 0.006 0.000 2.344 72 E HA 0.430 4.781 4.350 0.001 0.000 0.270 72 E C -0.348 176.287 176.600 0.059 0.000 1.021 72 E CA -0.043 56.375 56.400 0.029 0.000 0.887 72 E CB 1.438 31.148 29.700 0.018 0.000 0.997 72 E HN 0.419 nan 8.360 nan 0.000 0.429 73 A N 4.154 127.027 122.820 0.087 0.000 3.297 73 A HA 0.104 4.425 4.320 0.001 0.000 0.304 73 A C -0.453 177.184 177.584 0.090 0.000 0.963 73 A CA -0.585 51.526 52.037 0.124 0.000 0.935 73 A CB 0.214 19.357 19.000 0.238 0.000 1.093 73 A HN 0.345 nan 8.150 nan 0.000 0.480 74 D N 1.394 121.835 120.400 0.069 0.000 2.359 74 D HA 0.366 5.006 4.640 0.001 0.000 0.230 74 D C 0.535 176.879 176.300 0.073 0.000 1.118 74 D CA -0.143 53.891 54.000 0.057 0.000 0.844 74 D CB 0.923 41.750 40.800 0.045 0.000 1.059 74 D HN 0.398 nan 8.370 nan 0.000 0.493 75 L N 3.066 124.340 121.223 0.086 0.000 2.607 75 L HA 0.282 4.623 4.340 0.001 0.000 0.228 75 L C 1.532 178.521 176.870 0.198 0.000 1.123 75 L CA 0.046 54.961 54.840 0.124 0.000 0.890 75 L CB -0.381 41.731 42.059 0.089 0.000 1.103 75 L HN 0.626 nan 8.230 nan 0.000 0.468 76 G N 1.713 110.583 108.800 0.116 0.000 2.645 76 G HA2 -0.349 3.611 3.960 0.001 0.000 0.246 76 G HA3 -0.349 3.611 3.960 0.001 0.000 0.246 76 G C 0.037 174.885 174.900 -0.087 0.000 1.322 76 G CA 0.385 45.511 45.100 0.043 0.000 0.898 76 G HN 0.478 nan 8.290 nan 0.000 0.573 77 N N -0.791 117.650 118.700 -0.432 0.000 2.159 77 N HA 0.457 5.198 4.740 0.001 0.000 0.217 77 N C -0.270 174.296 175.510 -1.573 0.000 1.223 77 N CA -0.000 52.376 53.050 -1.123 0.000 0.896 77 N CB 0.686 38.497 38.487 -1.127 0.000 1.064 77 N HN 0.359 nan 8.380 nan 0.000 0.518 78 F N 0.194 119.882 119.950 -0.436 0.000 2.640 78 F HA 0.596 5.123 4.527 0.001 0.000 0.324 78 F C -0.485 175.367 175.800 0.087 0.000 1.077 78 F CA -1.075 56.788 58.000 -0.228 0.000 0.965 78 F CB 1.382 40.312 39.000 -0.116 0.000 1.351 78 F HN -0.322 nan 8.300 nan 0.000 0.487 79 L N 0.683 122.102 121.223 0.326 0.000 2.354 79 L HA 0.699 5.040 4.340 0.001 0.000 0.269 79 L C -0.791 176.160 176.870 0.136 0.000 1.005 79 L CA -0.630 54.354 54.840 0.239 0.000 0.819 79 L CB 2.312 44.516 42.059 0.241 0.000 1.311 79 L HN 0.558 nan 8.230 nan 0.000 0.423 80 S N 0.715 116.462 115.700 0.078 0.000 2.542 80 S HA 0.388 4.858 4.470 0.001 0.000 0.293 80 S C -0.745 173.873 174.600 0.030 0.000 1.089 80 S CA -0.765 57.457 58.200 0.037 0.000 0.961 80 S CB 2.253 65.464 63.200 0.018 0.000 1.062 80 S HN 0.451 nan 8.310 nan 0.000 0.483 81 K N 2.226 122.630 120.400 0.006 0.000 2.298 81 K HA 0.366 4.687 4.320 0.001 0.000 0.280 81 K C -1.018 175.586 176.600 0.008 0.000 1.032 81 K CA -0.129 56.150 56.287 -0.015 0.000 0.958 81 K CB 0.279 32.702 32.500 -0.127 0.000 0.978 81 K HN 0.370 nan 8.250 nan 0.000 0.472 82 I N 2.937 123.537 120.570 0.050 0.000 2.730 82 I HA 0.180 4.350 4.170 0.001 0.000 0.298 82 I C -0.492 175.675 176.117 0.083 0.000 1.089 82 I CA -0.878 60.475 61.300 0.089 0.000 1.041 82 I CB 1.692 39.802 38.000 0.184 0.000 1.235 82 I HN 0.755 nan 8.210 nan 0.000 0.423 83 N N 4.725 123.465 118.700 0.068 0.000 2.422 83 N HA 0.250 4.991 4.740 0.001 0.000 0.266 83 N C 1.038 176.583 175.510 0.059 0.000 1.007 83 N CA -0.447 52.635 53.050 0.054 0.000 0.941 83 N CB 1.208 39.716 38.487 0.034 0.000 1.115 83 N HN 0.626 nan 8.380 nan 0.000 0.492 84 L N 3.739 124.991 121.223 0.049 0.000 2.083 84 L HA -0.115 4.225 4.340 0.001 0.000 0.209 84 L C 0.898 177.767 176.870 -0.003 0.000 1.083 84 L CA 1.318 56.166 54.840 0.014 0.000 0.752 84 L CB -0.215 41.845 42.059 0.002 0.000 0.899 84 L HN 0.699 nan 8.230 nan 0.000 0.433 85 N N -0.437 118.268 118.700 0.008 0.000 2.521 85 N HA -0.048 4.693 4.740 0.001 0.000 0.188 85 N C 0.781 176.298 175.510 0.012 0.000 1.146 85 N CA 0.409 53.462 53.050 0.004 0.000 0.893 85 N CB 0.272 38.763 38.487 0.006 0.000 0.975 85 N HN 0.113 nan 8.380 nan 0.000 0.451 86 S N 0.186 115.900 115.700 0.022 0.000 2.624 86 S HA 0.372 4.842 4.470 0.001 0.000 0.246 86 S C 0.297 174.920 174.600 0.039 0.000 1.072 86 S CA -0.392 57.825 58.200 0.028 0.000 1.045 86 S CB 0.468 63.687 63.200 0.030 0.000 0.851 86 S HN 0.128 nan 8.310 nan 0.000 0.480 87 I N 2.068 122.663 120.570 0.041 0.000 2.336 87 I HA 0.385 4.555 4.170 0.001 0.000 0.292 87 I C -0.079 176.069 176.117 0.052 0.000 0.991 87 I CA -0.268 61.073 61.300 0.068 0.000 1.227 87 I CB 1.387 39.443 38.000 0.093 0.000 1.366 87 I HN 0.054 nan 8.210 nan 0.000 0.466 88 E N 4.769 124.985 120.200 0.027 0.000 2.256 88 E HA 0.506 4.857 4.350 0.001 0.000 0.268 88 E C -1.366 175.206 176.600 -0.046 0.000 0.877 88 E CA -0.659 55.742 56.400 0.001 0.000 0.757 88 E CB 2.865 32.562 29.700 -0.006 0.000 1.183 88 E HN 0.243 nan 8.360 nan 0.000 0.418 89 V N 3.721 123.614 119.914 -0.034 0.000 2.398 89 V HA 0.389 4.509 4.120 0.001 0.000 0.286 89 V C -0.221 175.843 176.094 -0.049 0.000 1.026 89 V CA -0.747 61.504 62.300 -0.080 0.000 0.868 89 V CB 1.273 33.054 31.823 -0.070 0.000 0.982 89 V HN 0.499 nan 8.190 nan 0.000 0.443 90 K N 5.016 125.389 120.400 -0.045 0.000 2.376 90 K HA 0.577 4.897 4.320 0.001 0.000 0.257 90 K C -0.940 175.702 176.600 0.070 0.000 0.939 90 K CA -0.500 55.815 56.287 0.047 0.000 0.809 90 K CB 2.627 35.217 32.500 0.150 0.000 1.121 90 K HN 0.541 nan 8.250 nan 0.000 0.425 91 I N 5.127 125.724 120.570 0.045 0.000 2.291 91 I HA 0.058 4.228 4.170 0.001 0.000 0.292 91 I C 1.666 177.808 176.117 0.041 0.000 1.064 91 I CA -0.166 61.156 61.300 0.035 0.000 1.269 91 I CB 0.513 38.522 38.000 0.014 0.000 1.418 91 I HN 0.444 nan 8.210 nan 0.000 0.485 92 L N 5.331 126.582 121.223 0.048 0.000 2.072 92 L HA 0.000 4.341 4.340 0.001 0.000 0.205 92 L C 0.760 177.637 176.870 0.012 0.000 1.079 92 L CA 1.212 56.069 54.840 0.029 0.000 0.752 92 L CB -0.377 41.694 42.059 0.021 0.000 0.906 92 L HN 0.517 nan 8.230 nan 0.000 0.436 93 K N 0.897 121.303 120.400 0.010 0.000 2.394 93 K HA 0.354 4.675 4.320 0.001 0.000 0.260 93 K C -0.662 175.937 176.600 -0.003 0.000 0.967 93 K CA -0.426 55.863 56.287 0.002 0.000 0.855 93 K CB 2.108 34.609 32.500 0.003 0.000 1.101 93 K HN -0.034 nan 8.250 nan 0.000 0.433 94 K N 0.927 121.322 120.400 -0.008 0.000 2.107 94 K HA 0.551 4.871 4.320 0.001 0.000 0.251 94 K C 0.297 176.884 176.600 -0.021 0.000 1.012 94 K CA -0.414 55.864 56.287 -0.015 0.000 0.920 94 K CB 1.326 33.817 32.500 -0.014 0.000 1.033 94 K HN 0.824 nan 8.250 nan 0.000 0.478 95 G N -0.903 107.877 108.800 -0.033 0.000 2.341 95 G HA2 0.309 4.270 3.960 0.001 0.000 0.299 95 G HA3 0.309 4.270 3.960 0.001 0.000 0.299 95 G C -0.194 174.673 174.900 -0.055 0.000 1.274 95 G CA -0.125 44.952 45.100 -0.038 0.000 0.853 95 G HN 0.468 nan 8.290 nan 0.000 0.493 96 A N -0.759 122.025 122.820 -0.060 0.000 2.015 96 A HA 0.173 4.494 4.320 0.001 0.000 0.219 96 A C 2.197 179.710 177.584 -0.118 0.000 1.163 96 A CA 2.827 54.821 52.037 -0.073 0.000 0.646 96 A CB -0.868 18.096 19.000 -0.060 0.000 0.806 96 A HN 1.757 nan 8.150 nan 0.000 0.448 97 T N -3.285 111.179 114.554 -0.151 0.000 3.272 97 T HA 0.103 4.453 4.350 0.001 0.000 0.250 97 T C 0.600 175.159 174.700 -0.236 0.000 1.082 97 T CA 0.524 62.467 62.100 -0.260 0.000 0.968 97 T CB -0.113 68.564 68.868 -0.319 0.000 1.015 97 T HN 0.236 nan 8.240 nan 0.000 0.563 98 D N 2.781 123.094 120.400 -0.146 0.000 2.117 98 D HA -0.133 4.507 4.640 0.001 0.000 0.197 98 D C 2.030 178.259 176.300 -0.118 0.000 0.987 98 D CA 1.596 55.533 54.000 -0.106 0.000 0.829 98 D CB -0.199 40.559 40.800 -0.069 0.000 0.961 98 D HN 0.675 nan 8.370 nan 0.000 0.460 99 D N 0.698 121.019 120.400 -0.132 0.000 2.117 99 D HA -0.163 4.477 4.640 0.001 0.000 0.197 99 D C 2.324 178.525 176.300 -0.165 0.000 0.987 99 D CA 0.640 54.568 54.000 -0.121 0.000 0.829 99 D CB -0.871 39.867 40.800 -0.102 0.000 0.961 99 D HN 0.267 nan 8.370 nan 0.000 0.460 100 L N -0.533 120.511 121.223 -0.298 0.000 2.027 100 L HA -0.086 4.254 4.340 0.001 0.000 0.206 100 L C 2.989 179.703 176.870 -0.259 0.000 1.074 100 L CA 1.075 55.640 54.840 -0.458 0.000 0.745 100 L CB -0.425 40.983 42.059 -1.084 0.000 0.898 100 L HN -0.021 nan 8.230 nan 0.000 0.433 101 M N -0.581 118.902 119.600 -0.195 0.000 2.117 101 M HA -0.224 4.257 4.480 0.001 0.000 0.262 101 M C 2.142 178.451 176.300 0.015 0.000 1.065 101 M CA 1.758 57.080 55.300 0.037 0.000 1.114 101 M CB -0.367 32.246 32.600 0.022 0.000 1.361 101 M HN 0.213 nan 8.290 nan 0.000 0.408 102 E N 0.276 120.457 120.200 -0.032 0.000 2.077 102 E HA -0.162 4.189 4.350 0.001 0.000 0.193 102 E C 2.059 178.652 176.600 -0.011 0.000 0.989 102 E CA 1.294 57.682 56.400 -0.020 0.000 0.800 102 E CB -0.144 29.538 29.700 -0.030 0.000 0.746 102 E HN 0.505 nan 8.360 nan 0.000 0.452 103 A N 1.311 124.117 122.820 -0.024 0.000 1.902 103 A HA -0.118 4.203 4.320 0.001 0.000 0.217 103 A C 2.372 179.962 177.584 0.009 0.000 1.181 103 A CA 1.659 53.686 52.037 -0.017 0.000 0.623 103 A CB -0.650 18.326 19.000 -0.040 0.000 0.818 103 A HN 0.301 nan 8.150 nan 0.000 0.443 104 A N -0.151 122.698 122.820 0.049 0.000 1.902 104 A HA 0.166 4.486 4.320 0.001 0.000 0.217 104 A C 2.492 180.107 177.584 0.052 0.000 1.181 104 A CA 2.054 54.132 52.037 0.069 0.000 0.623 104 A CB -0.966 18.118 19.000 0.141 0.000 0.818 104 A HN 1.033 nan 8.150 nan 0.000 0.443 105 A N -0.361 122.481 122.820 0.036 0.000 1.902 105 A HA -0.162 4.159 4.320 0.001 0.000 0.217 105 A C 2.144 179.771 177.584 0.072 0.000 1.181 105 A CA 1.909 53.964 52.037 0.031 0.000 0.623 105 A CB -0.458 18.543 19.000 0.002 0.000 0.818 105 A HN 0.515 nan 8.150 nan 0.000 0.443 106 K N -0.406 120.019 120.400 0.041 0.000 2.103 106 K HA -0.132 4.189 4.320 0.001 0.000 0.207 106 K C 2.150 178.770 176.600 0.034 0.000 1.048 106 K CA 1.329 57.635 56.287 0.032 0.000 0.930 106 K CB -0.152 32.354 32.500 0.010 0.000 0.716 106 K HN 0.427 nan 8.250 nan 0.000 0.444 107 R N -0.639 119.882 120.500 0.035 0.000 2.237 107 R HA -0.100 4.241 4.340 0.001 0.000 0.219 107 R C 2.073 178.387 176.300 0.024 0.000 1.080 107 R CA 0.817 56.924 56.100 0.012 0.000 0.995 107 R CB -0.232 30.064 30.300 -0.007 0.000 0.875 107 R HN 0.265 nan 8.270 nan 0.000 0.462 108 F N 2.275 122.181 119.950 -0.072 0.000 2.171 108 F HA -0.263 4.264 4.527 0.001 0.000 0.300 108 F C 2.401 178.129 175.800 -0.121 0.000 1.090 108 F CA 1.560 59.507 58.000 -0.089 0.000 1.293 108 F CB 0.083 39.039 39.000 -0.074 0.000 1.013 108 F HN -0.174 nan 8.300 nan 0.000 0.486 109 K N 0.747 121.041 120.400 -0.178 0.000 2.057 109 K HA -0.207 4.113 4.320 0.001 0.000 0.207 109 K C 1.727 178.145 176.600 -0.304 0.000 1.049 109 K CA 2.033 58.148 56.287 -0.288 0.000 0.931 109 K CB -0.306 32.118 32.500 -0.126 0.000 0.714 109 K HN 0.255 nan 8.250 nan 0.000 0.440 110 E N 0.509 120.589 120.200 -0.200 0.000 2.110 110 E HA -0.189 4.161 4.350 0.001 0.000 0.193 110 E C 2.121 178.587 176.600 -0.223 0.000 0.988 110 E CA 1.707 58.002 56.400 -0.174 0.000 0.804 110 E CB -0.035 29.598 29.700 -0.111 0.000 0.745 110 E HN 0.436 nan 8.360 nan 0.000 0.458 111 Q N -0.125 119.514 119.800 -0.267 0.000 2.084 111 Q HA -0.126 4.215 4.340 0.001 0.000 0.202 111 Q C 2.275 178.048 176.000 -0.377 0.000 0.978 111 Q CA 1.403 57.041 55.803 -0.274 0.000 0.844 111 Q CB -0.062 28.540 28.738 -0.227 0.000 0.898 111 Q HN 0.175 nan 8.270 nan 0.000 0.426 112 V N 0.747 120.289 119.914 -0.620 0.000 2.343 112 V HA -0.245 3.875 4.120 0.001 0.000 0.247 112 V C 2.046 177.897 176.094 -0.405 0.000 1.051 112 V CA 1.948 63.821 62.300 -0.712 0.000 1.036 112 V CB -0.523 30.629 31.823 -1.118 0.000 0.654 112 V HN 0.308 nan 8.190 nan 0.000 0.451 113 S N 0.159 115.671 115.700 -0.314 0.000 2.469 113 S HA -0.055 4.416 4.470 0.001 0.000 0.238 113 S C 1.769 176.261 174.600 -0.180 0.000 0.998 113 S CA 1.041 59.112 58.200 -0.216 0.000 0.957 113 S CB -0.382 62.709 63.200 -0.182 0.000 0.764 113 S HN 0.511 nan 8.310 nan 0.000 0.514 114 L N 0.897 122.015 121.223 -0.175 0.000 2.362 114 L HA -0.064 4.277 4.340 0.001 0.000 0.219 114 L C 2.631 179.443 176.870 -0.097 0.000 1.134 114 L CA 0.791 55.549 54.840 -0.137 0.000 0.807 114 L CB -0.691 41.288 42.059 -0.133 0.000 0.927 114 L HN 0.348 nan 8.230 nan 0.000 0.447 115 A N 0.165 122.944 122.820 -0.069 0.000 2.067 115 A HA -0.003 4.318 4.320 0.001 0.000 0.219 115 A C 1.179 178.762 177.584 -0.001 0.000 1.158 115 A CA 0.692 52.747 52.037 0.030 0.000 0.661 115 A CB -0.400 18.664 19.000 0.108 0.000 0.801 115 A HN 0.322 nan 8.150 nan 0.000 0.452 116 I N 1.801 122.282 120.570 -0.149 0.000 2.321 116 I HA 0.240 4.411 4.170 0.001 0.000 0.291 116 I C -2.280 173.650 176.117 -0.311 0.000 0.998 116 I CA -2.498 58.567 61.300 -0.391 0.000 1.227 116 I CB 1.663 39.379 38.000 -0.473 0.000 1.368 116 I HN 0.035 nan 8.210 nan 0.000 0.466 117 P HA 0.075 nan 4.420 nan 0.000 0.268 117 P C -0.582 176.616 177.300 -0.170 0.000 1.204 117 P CA -0.228 62.771 63.100 -0.168 0.000 0.768 117 P CB 0.497 32.145 31.700 -0.088 0.000 0.842 118 R N 1.741 122.169 120.500 -0.119 0.000 2.538 118 R HA 0.238 4.579 4.340 0.001 0.000 0.282 118 R C 1.420 177.674 176.300 -0.077 0.000 1.009 118 R CA 1.242 57.283 56.100 -0.099 0.000 1.063 118 R CB -0.498 29.756 30.300 -0.077 0.000 0.945 118 R HN 0.895 nan 8.270 nan 0.000 0.414 119 G N 1.546 110.302 108.800 -0.074 0.000 2.157 119 G HA2 -0.255 3.706 3.960 0.001 0.000 0.248 119 G HA3 -0.255 3.706 3.960 0.001 0.000 0.248 119 G C -0.078 174.794 174.900 -0.047 0.000 0.979 119 G CA 0.051 45.123 45.100 -0.048 0.000 0.650 119 G HN 0.549 nan 8.290 nan 0.000 0.529 120 S N 0.383 116.023 115.700 -0.100 0.000 2.482 120 S HA 0.771 5.241 4.470 0.001 0.000 0.303 120 S C -0.014 174.499 174.600 -0.145 0.000 1.091 120 S CA 0.164 58.298 58.200 -0.110 0.000 1.057 120 S CB 1.825 64.892 63.200 -0.222 0.000 1.031 120 S HN 0.638 nan 8.310 nan 0.000 0.485 121 T N 3.765 118.305 114.554 -0.024 0.000 2.812 121 T HA 0.552 4.902 4.350 0.001 0.000 0.282 121 T C -2.803 171.989 174.700 0.153 0.000 0.990 121 T CA -1.550 60.557 62.100 0.010 0.000 0.960 121 T CB 1.407 70.293 68.868 0.030 0.000 0.948 121 T HN 0.342 nan 8.240 nan 0.000 0.438 122 P HA 0.315 nan 4.420 nan 0.000 0.274 122 P C -0.637 176.788 177.300 0.207 0.000 1.231 122 P CA -0.697 62.614 63.100 0.353 0.000 0.790 122 P CB 0.923 32.819 31.700 0.327 0.000 0.951 123 K N 1.593 122.123 120.400 0.216 0.000 2.368 123 K HA 0.185 4.506 4.320 0.001 0.000 0.282 123 K C 0.009 176.670 176.600 0.102 0.000 1.035 123 K CA -0.559 55.816 56.287 0.147 0.000 0.973 123 K CB 0.158 32.763 32.500 0.175 0.000 0.957 123 K HN 0.317 nan 8.250 nan 0.000 0.474 124 L N 4.668 125.932 121.223 0.068 0.000 2.391 124 L HA 0.108 4.449 4.340 0.001 0.000 0.249 124 L C 0.288 177.174 176.870 0.027 0.000 1.308 124 L CA 0.591 55.458 54.840 0.045 0.000 1.209 124 L CB -1.532 40.548 42.059 0.035 0.000 1.401 124 L HN 0.794 nan 8.230 nan 0.000 0.416 125 T N -2.132 112.430 114.554 0.013 0.000 2.787 125 T HA 0.896 5.246 4.350 0.001 0.000 0.297 125 T C 0.004 174.685 174.700 -0.032 0.000 1.221 125 T CA -0.253 61.838 62.100 -0.014 0.000 1.006 125 T CB 2.525 71.369 68.868 -0.039 0.000 1.328 125 T HN 0.698 nan 8.240 nan 0.000 0.509 126 G N 0.693 109.469 108.800 -0.040 0.000 2.483 126 G HA2 0.065 4.026 3.960 0.001 0.000 0.521 126 G HA3 0.065 4.026 3.960 0.001 0.000 0.521 126 G C -1.098 173.799 174.900 -0.005 0.000 1.278 126 G CA -0.721 44.356 45.100 -0.037 0.000 0.965 126 G HN 0.885 nan 8.290 nan 0.000 0.504 127 K N 0.156 120.559 120.400 0.005 0.000 2.258 127 K HA 0.585 4.906 4.320 0.001 0.000 0.264 127 K C 0.661 177.284 176.600 0.038 0.000 1.007 127 K CA 0.281 56.579 56.287 0.020 0.000 0.941 127 K CB 1.134 33.646 32.500 0.020 0.000 0.966 127 K HN 1.041 nan 8.250 nan 0.000 0.480 128 A N 1.671 124.513 122.820 0.036 0.000 2.310 128 A HA 0.434 4.755 4.320 0.001 0.000 0.299 128 A C -0.545 177.068 177.584 0.048 0.000 1.147 128 A CA -0.673 51.389 52.037 0.042 0.000 0.818 128 A CB 0.746 19.764 19.000 0.030 0.000 1.096 128 A HN 0.397 nan 8.150 nan 0.000 0.495 129 V N 3.018 122.968 119.914 0.061 0.000 2.448 129 V HA 0.315 4.436 4.120 0.001 0.000 0.295 129 V C -0.949 175.141 176.094 -0.006 0.000 1.025 129 V CA -0.789 61.549 62.300 0.063 0.000 0.859 129 V CB 1.645 33.565 31.823 0.162 0.000 0.988 129 V HN 0.873 nan 8.190 nan 0.000 0.431 130 D N 4.006 124.349 120.400 -0.095 0.000 2.303 130 D HA 0.432 5.072 4.640 0.001 0.000 0.236 130 D C -0.592 175.419 176.300 -0.481 0.000 1.068 130 D CA -0.166 53.651 54.000 -0.305 0.000 0.830 130 D CB 2.480 43.051 40.800 -0.382 0.000 1.109 130 D HN 0.254 nan 8.370 nan 0.000 0.496 131 V N 3.206 122.851 119.914 -0.449 0.000 2.370 131 V HA 0.221 4.342 4.120 0.001 0.000 0.283 131 V C -0.826 175.006 176.094 -0.436 0.000 1.023 131 V CA -0.773 61.292 62.300 -0.392 0.000 0.857 131 V CB 0.431 32.071 31.823 -0.307 0.000 0.985 131 V HN 0.340 nan 8.190 nan 0.000 0.443 132 Y N 4.917 125.194 120.300 -0.039 0.000 2.331 132 Y HA 0.598 5.149 4.550 0.001 0.000 0.338 132 Y C 0.090 175.966 175.900 -0.041 0.000 0.976 132 Y CA -1.005 57.077 58.100 -0.030 0.000 1.137 132 Y CB 1.207 39.661 38.460 -0.009 0.000 1.172 132 Y HN 0.434 nan 8.280 nan 0.000 0.478 133 L N 4.719 125.996 121.223 0.089 0.000 2.272 133 L HA 0.557 4.898 4.340 0.001 0.000 0.289 133 L C -0.709 176.191 176.870 0.049 0.000 1.032 133 L CA -0.937 53.923 54.840 0.033 0.000 0.810 133 L CB 1.044 43.096 42.059 -0.012 0.000 1.205 133 L HN 0.326 nan 8.230 nan 0.000 0.422 134 V N 2.806 122.747 119.914 0.045 0.000 2.304 134 V HA 0.239 4.360 4.120 0.001 0.000 0.278 134 V C -0.128 175.985 176.094 0.031 0.000 1.018 134 V CA -0.571 61.752 62.300 0.037 0.000 0.814 134 V CB 1.268 33.114 31.823 0.038 0.000 1.021 134 V HN 0.655 nan 8.190 nan 0.000 0.440 135 N N 3.517 122.232 118.700 0.024 0.000 2.485 135 N HA 0.230 4.970 4.740 0.001 0.000 0.243 135 N C 1.008 176.529 175.510 0.019 0.000 0.987 135 N CA -0.269 52.794 53.050 0.023 0.000 0.940 135 N CB 1.328 39.829 38.487 0.023 0.000 1.122 135 N HN 0.626 nan 8.380 nan 0.000 0.509 136 E N 2.109 122.323 120.200 0.024 0.000 2.268 136 E HA -0.096 4.254 4.350 0.001 0.000 0.195 136 E C -0.408 176.202 176.600 0.016 0.000 0.995 136 E CA 0.864 57.276 56.400 0.020 0.000 0.836 136 E CB 0.015 29.729 29.700 0.024 0.000 0.763 136 E HN 0.611 nan 8.360 nan 0.000 0.491 137 N N 0.751 119.461 118.700 0.016 0.000 2.791 137 N HA 0.080 4.821 4.740 0.001 0.000 0.265 137 N C -2.288 173.222 175.510 0.001 0.000 1.580 137 N CA -0.881 52.176 53.050 0.011 0.000 0.809 137 N CB 1.399 39.898 38.487 0.020 0.000 1.178 137 N HN -0.042 nan 8.380 nan 0.000 0.499 138 P HA -0.062 nan 4.420 nan 0.000 0.234 138 P C 0.104 177.378 177.300 -0.043 0.000 1.167 138 P CA 0.928 64.014 63.100 -0.023 0.000 0.763 138 P CB 0.425 32.114 31.700 -0.019 0.000 0.835 139 N N -0.089 118.592 118.700 -0.031 0.000 2.373 139 N HA -0.020 4.720 4.740 0.001 0.000 0.181 139 N C 0.497 175.984 175.510 -0.038 0.000 1.082 139 N CA 0.401 53.429 53.050 -0.037 0.000 0.885 139 N CB 0.021 38.496 38.487 -0.020 0.000 0.977 139 N HN 0.246 nan 8.380 nan 0.000 0.462 140 E N 1.520 121.704 120.200 -0.028 0.000 2.223 140 E HA 0.059 4.410 4.350 0.001 0.000 0.282 140 E C 0.453 177.027 176.600 -0.044 0.000 1.046 140 E CA 0.056 56.453 56.400 -0.004 0.000 0.857 140 E CB 0.386 30.107 29.700 0.035 0.000 1.055 140 E HN 0.226 nan 8.360 nan 0.000 0.409 141 K N 2.399 122.795 120.400 -0.007 0.000 2.625 141 K HA 0.432 4.753 4.320 0.001 0.000 0.190 141 K C -0.455 176.217 176.600 0.120 0.000 1.174 141 K CA -0.489 55.784 56.287 -0.023 0.000 1.103 141 K CB 0.703 33.105 32.500 -0.164 0.000 0.900 141 K HN 0.263 nan 8.250 nan 0.000 0.540 142 A N 1.207 124.100 122.820 0.122 0.000 2.327 142 A HA 0.628 4.948 4.320 0.001 0.000 0.283 142 A C -0.835 176.742 177.584 -0.012 0.000 1.127 142 A CA -0.493 51.592 52.037 0.080 0.000 0.810 142 A CB 0.032 19.087 19.000 0.092 0.000 1.066 142 A HN 0.249 nan 8.150 nan 0.000 0.492 143 F N 1.779 121.756 119.950 0.044 0.000 2.399 143 F HA 0.482 5.009 4.527 0.001 0.000 0.342 143 F C 1.183 176.965 175.800 -0.031 0.000 1.106 143 F CA 0.959 58.901 58.000 -0.097 0.000 1.196 143 F CB 1.433 40.377 39.000 -0.093 0.000 1.163 143 F HN 0.692 nan 8.300 nan 0.000 0.547 144 S N 2.099 117.880 115.700 0.136 0.000 2.567 144 S HA 0.398 4.869 4.470 0.001 0.000 0.270 144 S C -0.075 174.574 174.600 0.082 0.000 1.152 144 S CA -0.989 57.268 58.200 0.095 0.000 0.835 144 S CB 0.876 64.118 63.200 0.069 0.000 1.115 144 S HN 0.548 nan 8.310 nan 0.000 0.459 145 L N 1.087 122.354 121.223 0.073 0.000 2.353 145 L HA -0.006 4.335 4.340 0.001 0.000 0.220 145 L C 2.281 179.186 176.870 0.059 0.000 1.133 145 L CA 1.507 56.392 54.840 0.075 0.000 0.798 145 L CB -0.352 41.748 42.059 0.069 0.000 0.922 145 L HN 0.899 nan 8.230 nan 0.000 0.445 146 E N 0.831 121.060 120.200 0.049 0.000 2.476 146 E HA 0.003 4.354 4.350 0.001 0.000 0.196 146 E C 0.663 177.290 176.600 0.045 0.000 1.029 146 E CA -0.258 56.165 56.400 0.039 0.000 0.896 146 E CB -0.044 29.674 29.700 0.031 0.000 1.012 146 E HN 0.465 nan 8.360 nan 0.000 0.475 147 M N 0.692 120.324 119.600 0.054 0.000 2.245 147 M HA 0.261 4.742 4.480 0.001 0.000 0.330 147 M C -0.190 176.158 176.300 0.081 0.000 1.098 147 M CA 0.041 55.383 55.300 0.069 0.000 1.172 147 M CB 0.545 33.170 32.600 0.042 0.000 1.467 147 M HN -0.328 nan 8.290 nan 0.000 0.454 148 D N 2.044 122.509 120.400 0.108 0.000 2.396 148 D HA 0.187 4.827 4.640 0.001 0.000 0.225 148 D C -0.337 176.061 176.300 0.162 0.000 1.121 148 D CA 0.014 54.075 54.000 0.102 0.000 0.853 148 D CB 0.677 41.527 40.800 0.084 0.000 1.043 148 D HN 0.744 nan 8.370 nan 0.000 0.500 149 E N 1.226 121.528 120.200 0.170 0.000 2.451 149 E HA 0.058 4.409 4.350 0.001 0.000 0.194 149 E C 0.360 177.179 176.600 0.364 0.000 1.027 149 E CA -0.234 56.354 56.400 0.313 0.000 0.914 149 E CB 0.409 30.334 29.700 0.375 0.000 1.054 149 E HN 0.420 nan 8.360 nan 0.000 0.461 150 S N 0.618 116.450 115.700 0.219 0.000 2.617 150 S HA 0.396 4.867 4.470 0.001 0.000 0.269 150 S C -0.342 174.440 174.600 0.302 0.000 1.292 150 S CA -0.644 57.666 58.200 0.184 0.000 1.010 150 S CB 0.510 63.734 63.200 0.040 0.000 0.944 150 S HN 0.284 nan 8.310 nan 0.000 0.536 151 Y N -2.085 118.287 120.300 0.121 0.000 2.677 151 Y HA 0.748 5.298 4.550 0.001 0.000 0.334 151 Y C -0.564 175.388 175.900 0.086 0.000 1.196 151 Y CA -1.114 57.047 58.100 0.102 0.000 1.059 151 Y CB 0.682 39.216 38.460 0.124 0.000 1.315 151 Y HN 0.932 nan 8.280 nan 0.000 0.455 152 G N 2.084 110.969 108.800 0.141 0.000 2.513 152 G HA2 0.624 4.584 3.960 0.001 0.000 0.317 152 G HA3 0.624 4.584 3.960 0.001 0.000 0.317 152 G C -2.335 172.690 174.900 0.207 0.000 1.277 152 G CA -1.004 44.136 45.100 0.066 0.000 0.955 152 G HN 0.874 nan 8.290 nan 0.000 0.484 153 L N 2.071 123.398 121.223 0.174 0.000 2.409 153 L HA 0.667 5.007 4.340 0.001 0.000 0.272 153 L C -0.706 176.237 176.870 0.121 0.000 0.980 153 L CA -0.859 54.096 54.840 0.192 0.000 0.826 153 L CB 1.898 44.127 42.059 0.283 0.000 1.268 153 L HN 0.488 nan 8.230 nan 0.000 0.407 154 R N 3.890 124.453 120.500 0.105 0.000 2.575 154 R HA 0.666 5.007 4.340 0.001 0.000 0.293 154 R C -1.576 174.774 176.300 0.084 0.000 0.983 154 R CA -0.735 55.416 56.100 0.085 0.000 0.887 154 R CB 2.774 33.118 30.300 0.074 0.000 1.184 154 R HN 0.304 nan 8.270 nan 0.000 0.445 155 V N 2.052 122.010 119.914 0.073 0.000 2.540 155 V HA 0.571 4.691 4.120 0.001 0.000 0.302 155 V C -0.447 175.684 176.094 0.061 0.000 1.035 155 V CA -0.566 61.773 62.300 0.064 0.000 0.873 155 V CB 1.830 33.681 31.823 0.047 0.000 0.992 155 V HN 1.009 nan 8.190 nan 0.000 0.428 156 S N 4.603 120.340 115.700 0.061 0.000 2.565 156 S HA 0.742 5.213 4.470 0.001 0.000 0.269 156 S C -3.398 171.233 174.600 0.052 0.000 1.153 156 S CA -1.587 56.647 58.200 0.057 0.000 0.835 156 S CB 2.317 65.551 63.200 0.056 0.000 1.122 156 S HN 0.401 nan 8.310 nan 0.000 0.462 157 P HA 0.348 nan 4.420 nan 0.000 0.268 157 P C -0.860 176.465 177.300 0.040 0.000 1.205 157 P CA -0.076 63.044 63.100 0.034 0.000 0.771 157 P CB 0.801 32.513 31.700 0.020 0.000 0.858 158 S N 2.536 118.262 115.700 0.043 0.000 2.640 158 S HA 0.611 5.082 4.470 0.001 0.000 0.320 158 S C 0.539 175.161 174.600 0.037 0.000 1.097 158 S CA 0.341 58.572 58.200 0.050 0.000 1.092 158 S CB -0.430 62.817 63.200 0.079 0.000 0.988 158 S HN 0.839 nan 8.310 nan 0.000 0.470 159 G N 4.312 113.129 108.800 0.029 0.000 2.583 159 G HA2 -0.213 3.748 3.960 0.001 0.000 0.292 159 G HA3 -0.213 3.748 3.960 0.001 0.000 0.292 159 G C 0.886 175.793 174.900 0.012 0.000 1.203 159 G CA 0.293 45.405 45.100 0.020 0.000 0.987 159 G HN 1.672 nan 8.290 nan 0.000 0.554 160 A N -1.922 120.904 122.820 0.010 0.000 2.055 160 A HA 0.465 4.786 4.320 0.001 0.000 0.205 160 A C 1.409 178.995 177.584 0.002 0.000 1.235 160 A CA 1.783 53.822 52.037 0.003 0.000 0.822 160 A CB 0.380 19.380 19.000 0.000 0.000 0.903 160 A HN 0.515 nan 8.150 nan 0.000 0.473 161 D N -0.039 120.367 120.400 0.008 0.000 2.571 161 D HA 0.191 4.831 4.640 0.001 0.000 0.239 161 D C 0.258 176.567 176.300 0.016 0.000 1.267 161 D CA 0.009 54.014 54.000 0.008 0.000 0.823 161 D CB 0.333 41.138 40.800 0.008 0.000 1.056 161 D HN 0.668 nan 8.370 nan 0.000 0.494 162 R N -1.893 118.619 120.500 0.022 0.000 2.766 162 R HA 0.721 5.061 4.340 0.001 0.000 0.270 162 R C -1.591 174.730 176.300 0.035 0.000 1.035 162 R CA -0.851 55.267 56.100 0.030 0.000 0.911 162 R CB 1.084 31.405 30.300 0.034 0.000 1.243 162 R HN -0.211 nan 8.270 nan 0.000 0.460 163 V N 1.149 121.086 119.914 0.039 0.000 2.735 163 V HA 0.369 4.490 4.120 0.001 0.000 0.310 163 V C -0.994 175.128 176.094 0.046 0.000 1.061 163 V CA -0.944 61.381 62.300 0.042 0.000 0.913 163 V CB 1.900 33.746 31.823 0.039 0.000 1.005 163 V HN 0.790 nan 8.190 nan 0.000 0.428 164 N N 3.173 121.916 118.700 0.072 0.000 2.469 164 N HA 0.602 5.343 4.740 0.001 0.000 0.253 164 N C -0.613 174.951 175.510 0.091 0.000 0.970 164 N CA -0.250 52.870 53.050 0.116 0.000 0.940 164 N CB 1.705 40.312 38.487 0.200 0.000 1.128 164 N HN 0.866 nan 8.380 nan 0.000 0.503 165 A N 3.001 125.842 122.820 0.035 0.000 2.267 165 A HA 0.569 4.890 4.320 0.001 0.000 0.315 165 A C -0.413 177.214 177.584 0.072 0.000 1.297 165 A CA -0.502 51.560 52.037 0.043 0.000 0.865 165 A CB 0.390 19.403 19.000 0.021 0.000 1.165 165 A HN 0.547 nan 8.150 nan 0.000 0.513 166 T N 3.484 118.110 114.554 0.121 0.000 2.786 166 T HA 0.529 4.879 4.350 0.001 0.000 0.283 166 T C -0.372 174.391 174.700 0.106 0.000 0.992 166 T CA 0.050 62.239 62.100 0.149 0.000 0.954 166 T CB 0.388 69.359 68.868 0.172 0.000 0.934 166 T HN 0.473 nan 8.240 nan 0.000 0.440 167 I N 3.369 123.990 120.570 0.085 0.000 2.362 167 I HA 0.355 4.526 4.170 0.001 0.000 0.289 167 I C 0.037 176.208 176.117 0.090 0.000 0.994 167 I CA -0.530 60.821 61.300 0.085 0.000 1.158 167 I CB 1.682 39.689 38.000 0.012 0.000 1.315 167 I HN 0.492 nan 8.210 nan 0.000 0.451 168 T N 5.561 120.187 114.554 0.120 0.000 2.809 168 T HA 0.773 5.123 4.350 0.001 0.000 0.284 168 T C -0.424 174.349 174.700 0.122 0.000 0.992 168 T CA -0.608 61.549 62.100 0.096 0.000 0.957 168 T CB 1.660 70.572 68.868 0.073 0.000 0.942 168 T HN 0.674 nan 8.240 nan 0.000 0.439 169 A N 2.624 125.502 122.820 0.096 0.000 2.539 169 A HA 0.595 4.916 4.320 0.001 0.000 0.296 169 A C 0.531 178.159 177.584 0.072 0.000 1.073 169 A CA -0.965 51.138 52.037 0.109 0.000 0.700 169 A CB 1.014 20.089 19.000 0.125 0.000 1.296 169 A HN 0.822 nan 8.150 nan 0.000 0.405 170 N N -0.060 118.687 118.700 0.078 0.000 2.453 170 N HA -0.005 4.736 4.740 0.001 0.000 0.183 170 N C 0.535 176.080 175.510 0.059 0.000 1.041 170 N CA 1.158 54.245 53.050 0.062 0.000 0.900 170 N CB 0.113 38.637 38.487 0.061 0.000 0.961 170 N HN 0.776 nan 8.380 nan 0.000 0.443 171 S N -1.658 114.078 115.700 0.060 0.000 2.615 171 S HA 0.153 4.624 4.470 0.001 0.000 0.269 171 S C 0.243 174.825 174.600 -0.029 0.000 1.161 171 S CA -0.965 57.258 58.200 0.039 0.000 0.817 171 S CB 0.367 63.629 63.200 0.104 0.000 1.131 171 S HN 0.069 nan 8.310 nan 0.000 0.467 172 F N 1.505 121.286 119.950 -0.281 0.000 2.171 172 F HA 0.070 4.597 4.527 0.001 0.000 0.300 172 F C 1.341 176.893 175.800 -0.413 0.000 1.090 172 F CA 1.473 59.235 58.000 -0.396 0.000 1.293 172 F CB -0.522 38.146 39.000 -0.555 0.000 1.013 172 F HN 0.551 nan 8.300 nan 0.000 0.486 173 F N 0.939 120.691 119.950 -0.330 0.000 2.134 173 F HA 0.021 4.549 4.527 0.001 0.000 0.299 173 F C 2.773 178.301 175.800 -0.454 0.000 1.097 173 F CA 1.244 58.953 58.000 -0.487 0.000 1.264 173 F CB -1.579 37.298 39.000 -0.205 0.000 1.001 173 F HN 0.049 nan 8.300 nan 0.000 0.479 174 G N -0.379 108.421 108.800 0.001 0.000 2.422 174 G HA2 -0.255 3.706 3.960 0.001 0.000 0.218 174 G HA3 -0.255 3.706 3.960 0.001 0.000 0.218 174 G C 1.709 176.593 174.900 -0.026 0.000 1.146 174 G CA 0.768 45.955 45.100 0.145 0.000 0.769 174 G HN 0.317 nan 8.290 nan 0.000 0.547 175 M N 0.992 120.493 119.600 -0.164 0.000 2.117 175 M HA -0.086 4.395 4.480 0.001 0.000 0.262 175 M C 2.739 178.843 176.300 -0.327 0.000 1.065 175 M CA 2.068 57.248 55.300 -0.199 0.000 1.114 175 M CB -0.101 32.401 32.600 -0.164 0.000 1.361 175 M HN 0.342 nan 8.290 nan 0.000 0.408 176 R N -1.024 119.156 120.500 -0.532 0.000 2.092 176 R HA -0.151 4.189 4.340 0.001 0.000 0.231 176 R C 1.812 177.936 176.300 -0.294 0.000 1.119 176 R CA 1.928 57.739 56.100 -0.482 0.000 0.970 176 R CB -1.188 28.690 30.300 -0.704 0.000 0.864 176 R HN 0.416 nan 8.270 nan 0.000 0.440 177 H N 0.164 119.063 119.070 -0.284 0.000 2.353 177 H HA 0.030 4.587 4.556 0.001 0.000 0.300 177 H C 2.129 177.101 175.328 -0.595 0.000 1.090 177 H CA 1.675 57.538 56.048 -0.308 0.000 1.327 177 H CB -0.727 28.965 29.762 -0.117 0.000 1.383 177 H HN 0.528 nan 8.280 nan 0.000 0.508 178 G N 0.448 108.798 108.800 -0.750 0.000 2.422 178 G HA2 -0.186 3.775 3.960 0.001 0.000 0.218 178 G HA3 -0.186 3.775 3.960 0.001 0.000 0.218 178 G C 1.983 176.703 174.900 -0.300 0.000 1.146 178 G CA 0.538 45.143 45.100 -0.824 0.000 0.769 178 G HN 0.302 nan 8.290 nan 0.000 0.547 179 L N -0.149 120.941 121.223 -0.222 0.000 2.083 179 L HA -0.064 4.277 4.340 0.001 0.000 0.209 179 L C 2.830 179.727 176.870 0.045 0.000 1.083 179 L CA 1.348 56.119 54.840 -0.116 0.000 0.752 179 L CB -0.216 41.764 42.059 -0.131 0.000 0.899 179 L HN 0.203 nan 8.230 nan 0.000 0.433 180 E N -0.282 119.903 120.200 -0.026 0.000 2.051 180 E HA -0.182 4.168 4.350 0.001 0.000 0.192 180 E C 2.054 178.670 176.600 0.027 0.000 0.991 180 E CA 1.919 58.323 56.400 0.008 0.000 0.799 180 E CB -0.153 29.528 29.700 -0.031 0.000 0.748 180 E HN 0.312 nan 8.360 nan 0.000 0.449 181 T N 0.900 115.440 114.554 -0.022 0.000 2.746 181 T HA -0.156 4.195 4.350 0.001 0.000 0.267 181 T C 1.717 176.495 174.700 0.131 0.000 1.039 181 T CA 1.208 63.337 62.100 0.048 0.000 1.142 181 T CB -0.381 68.540 68.868 0.087 0.000 0.866 181 T HN 0.112 nan 8.240 nan 0.000 0.444 182 L N 2.097 123.414 121.223 0.157 0.000 2.083 182 L HA -0.091 4.250 4.340 0.001 0.000 0.209 182 L C 2.578 179.726 176.870 0.464 0.000 1.083 182 L CA 2.071 57.073 54.840 0.271 0.000 0.752 182 L CB -0.936 41.266 42.059 0.237 0.000 0.899 182 L HN 0.359 nan 8.230 nan 0.000 0.433 183 S N -1.497 114.462 115.700 0.431 0.000 2.419 183 S HA -0.244 4.227 4.470 0.001 0.000 0.233 183 S C 1.777 176.549 174.600 0.287 0.000 1.016 183 S CA 1.128 59.497 58.200 0.282 0.000 0.974 183 S CB -0.698 62.519 63.200 0.028 0.000 0.786 183 S HN 0.702 nan 8.310 nan 0.000 0.492 184 Q N 0.390 120.321 119.800 0.218 0.000 2.488 184 Q HA 0.226 4.567 4.340 0.001 0.000 0.211 184 Q C 1.402 177.498 176.000 0.161 0.000 0.967 184 Q CA 0.525 56.432 55.803 0.174 0.000 0.926 184 Q CB -0.324 28.493 28.738 0.131 0.000 0.992 184 Q HN 0.583 nan 8.270 nan 0.000 0.506 185 L N 0.002 121.337 121.223 0.187 0.000 2.611 185 L HA 0.178 4.519 4.340 0.001 0.000 0.229 185 L C -0.210 176.581 176.870 -0.133 0.000 1.137 185 L CA -0.145 54.701 54.840 0.010 0.000 0.901 185 L CB 0.167 42.200 42.059 -0.042 0.000 1.098 185 L HN 0.063 nan 8.230 nan 0.000 0.456 186 F N 0.122 120.095 119.950 0.039 0.000 2.450 186 F HA 0.515 5.043 4.527 0.001 0.000 0.332 186 F C 0.159 175.989 175.800 0.051 0.000 1.093 186 F CA -1.042 56.985 58.000 0.045 0.000 1.003 186 F CB 1.840 40.857 39.000 0.029 0.000 1.151 186 F HN -0.336 nan 8.300 nan 0.000 0.474 187 V N 0.808 120.854 119.914 0.220 0.000 2.841 187 V HA 0.588 4.708 4.120 0.001 0.000 0.310 187 V C -1.612 174.626 176.094 0.241 0.000 1.090 187 V CA -1.018 61.390 62.300 0.180 0.000 0.930 187 V CB 1.764 33.629 31.823 0.070 0.000 1.014 187 V HN 0.619 nan 8.190 nan 0.000 0.425 188 F N 3.642 123.643 119.950 0.086 0.000 2.410 188 F HA 0.604 5.132 4.527 0.001 0.000 0.349 188 F C 0.140 175.978 175.800 0.064 0.000 1.117 188 F CA -0.397 57.651 58.000 0.080 0.000 1.104 188 F CB 1.295 40.332 39.000 0.061 0.000 1.122 188 F HN 0.836 nan 8.300 nan 0.000 0.483 189 D N 5.542 125.594 120.400 -0.580 0.000 2.380 189 D HA 0.061 4.701 4.640 0.001 0.000 0.230 189 D C 0.426 176.252 176.300 -0.789 0.000 1.154 189 D CA -0.188 53.539 54.000 -0.455 0.000 0.859 189 D CB 0.747 41.378 40.800 -0.281 0.000 1.045 189 D HN 0.690 nan 8.370 nan 0.000 0.495 190 D N 3.498 123.677 120.400 -0.369 0.000 2.347 190 D HA -0.083 4.558 4.640 0.001 0.000 0.213 190 D C 1.883 178.148 176.300 -0.058 0.000 0.985 190 D CA 0.051 53.980 54.000 -0.120 0.000 0.879 190 D CB 0.070 40.992 40.800 0.203 0.000 0.919 190 D HN 0.456 nan 8.370 nan 0.000 0.526 191 I N 0.271 120.795 120.570 -0.078 0.000 2.202 191 I HA -0.142 4.029 4.170 0.001 0.000 0.242 191 I C 2.379 178.409 176.117 -0.145 0.000 1.091 191 I CA 0.968 62.236 61.300 -0.052 0.000 1.368 191 I CB -0.051 37.945 38.000 -0.007 0.000 1.058 191 I HN -0.118 nan 8.210 nan 0.000 0.410 192 R N 0.056 120.382 120.500 -0.291 0.000 2.290 192 R HA 0.029 4.369 4.340 0.001 0.000 0.197 192 R C -0.370 175.648 176.300 -0.469 0.000 0.913 192 R CA 0.102 55.922 56.100 -0.468 0.000 1.040 192 R CB 0.239 30.042 30.300 -0.830 0.000 0.992 192 R HN 0.170 nan 8.270 nan 0.000 0.500 193 D N 0.888 121.060 120.400 -0.380 0.000 2.716 193 D HA -0.179 4.461 4.640 0.001 0.000 0.239 193 D C -0.879 175.376 176.300 -0.074 0.000 1.125 193 D CA 1.168 55.038 54.000 -0.217 0.000 0.681 193 D CB -1.451 39.408 40.800 0.098 0.000 1.070 193 D HN 0.531 nan 8.370 nan 0.000 0.432 194 H N -0.668 118.196 119.070 -0.343 0.000 2.469 194 H HA 0.498 5.055 4.556 0.001 0.000 0.342 194 H C 0.128 175.390 175.328 -0.111 0.000 1.115 194 H CA -1.216 54.754 56.048 -0.130 0.000 1.204 194 H CB 1.828 31.537 29.762 -0.088 0.000 1.492 194 H HN -0.027 nan 8.280 nan 0.000 0.499 195 L N 4.495 125.864 121.223 0.244 0.000 2.276 195 L HA 0.337 4.678 4.340 0.001 0.000 0.286 195 L C -1.332 175.660 176.870 0.204 0.000 1.061 195 L CA 0.021 55.034 54.840 0.287 0.000 0.807 195 L CB 0.140 42.380 42.059 0.302 0.000 1.177 195 L HN 0.470 nan 8.230 nan 0.000 0.429 196 L N 5.334 126.674 121.223 0.196 0.000 2.323 196 L HA 0.660 5.001 4.340 0.001 0.000 0.265 196 L C -0.483 176.417 176.870 0.050 0.000 1.012 196 L CA -0.645 54.266 54.840 0.119 0.000 0.820 196 L CB 2.031 44.149 42.059 0.099 0.000 1.334 196 L HN 0.632 nan 8.230 nan 0.000 0.427 197 M N 1.005 120.573 119.600 -0.054 0.000 2.433 197 M HA 0.417 4.898 4.480 0.001 0.000 0.290 197 M C -1.366 174.868 176.300 -0.110 0.000 1.173 197 M CA -0.739 54.398 55.300 -0.272 0.000 0.905 197 M CB 2.479 34.812 32.600 -0.445 0.000 1.692 197 M HN 0.253 nan 8.290 nan 0.000 0.462 198 V N 4.827 124.671 119.914 -0.117 0.000 2.540 198 V HA 0.041 4.161 4.120 0.001 0.000 0.297 198 V C 1.248 177.373 176.094 0.051 0.000 1.024 198 V CA 0.505 62.828 62.300 0.039 0.000 1.105 198 V CB 0.541 32.369 31.823 0.009 0.000 0.938 198 V HN 0.949 nan 8.190 nan 0.000 0.482 199 R N 2.889 123.468 120.500 0.133 0.000 2.062 199 R HA -0.044 4.297 4.340 0.001 0.000 0.231 199 R C 0.123 176.478 176.300 0.092 0.000 1.136 199 R CA 1.336 57.499 56.100 0.106 0.000 0.948 199 R CB 0.271 30.661 30.300 0.150 0.000 0.845 199 R HN 0.847 nan 8.270 nan 0.000 0.430 200 D N 0.598 121.067 120.400 0.116 0.000 2.481 200 D HA 0.228 4.869 4.640 0.001 0.000 0.246 200 D C -1.280 175.073 176.300 0.089 0.000 1.109 200 D CA -0.334 53.722 54.000 0.093 0.000 0.845 200 D CB 2.504 43.361 40.800 0.097 0.000 1.160 200 D HN -0.097 nan 8.370 nan 0.000 0.534 201 V N 2.531 122.490 119.914 0.075 0.000 2.540 201 V HA 0.356 4.476 4.120 0.001 0.000 0.302 201 V C -0.306 175.830 176.094 0.070 0.000 1.035 201 V CA -0.772 61.573 62.300 0.074 0.000 0.873 201 V CB 2.060 33.925 31.823 0.070 0.000 0.992 201 V HN 0.423 nan 8.190 nan 0.000 0.428 202 N N 4.331 123.071 118.700 0.067 0.000 2.531 202 N HA 0.633 5.374 4.740 0.001 0.000 0.268 202 N C -1.393 174.152 175.510 0.058 0.000 1.023 202 N CA -0.220 52.865 53.050 0.059 0.000 0.896 202 N CB 1.004 39.519 38.487 0.046 0.000 1.233 202 N HN 0.645 nan 8.380 nan 0.000 0.512 203 I N 1.578 122.185 120.570 0.062 0.000 2.545 203 I HA 0.451 4.622 4.170 0.001 0.000 0.292 203 I C -0.604 175.502 176.117 -0.019 0.000 1.040 203 I CA -0.781 60.547 61.300 0.047 0.000 1.068 203 I CB 2.063 40.122 38.000 0.099 0.000 1.251 203 I HN 0.565 nan 8.210 nan 0.000 0.424 204 S N 3.288 118.944 115.700 -0.074 0.000 2.538 204 S HA 0.762 5.232 4.470 0.001 0.000 0.288 204 S C -1.348 173.119 174.600 -0.221 0.000 1.108 204 S CA -0.689 57.407 58.200 -0.174 0.000 0.971 204 S CB 2.634 65.775 63.200 -0.098 0.000 1.041 204 S HN 0.572 nan 8.310 nan 0.000 0.483 205 D N 0.489 120.649 120.400 -0.399 0.000 2.736 205 D HA 0.596 5.237 4.640 0.001 0.000 0.223 205 D C -1.571 174.608 176.300 -0.201 0.000 1.231 205 D CA -0.348 53.497 54.000 -0.258 0.000 0.818 205 D CB 2.018 42.660 40.800 -0.263 0.000 1.587 205 D HN 0.868 nan 8.370 nan 0.000 0.463 206 K N 0.598 120.879 120.400 -0.198 0.000 2.578 206 K HA 0.558 4.879 4.320 0.001 0.000 0.269 206 K C -3.148 172.924 176.600 -0.879 0.000 0.941 206 K CA -1.490 54.571 56.287 -0.376 0.000 0.847 206 K CB 2.585 34.946 32.500 -0.231 0.000 1.397 206 K HN 0.041 nan 8.250 nan 0.000 0.422 207 P HA -0.007 nan 4.420 nan 0.000 0.271 207 P C 0.770 177.695 177.300 -0.625 0.000 1.216 207 P CA -0.504 61.797 63.100 -1.333 0.000 0.776 207 P CB 1.362 32.456 31.700 -1.010 0.000 0.881 208 V N 2.630 122.236 119.914 -0.514 0.000 2.358 208 V HA -0.154 3.967 4.120 0.001 0.000 0.246 208 V C 0.590 176.367 176.094 -0.529 0.000 1.047 208 V CA 1.736 63.747 62.300 -0.481 0.000 1.035 208 V CB -1.061 30.464 31.823 -0.496 0.000 0.658 208 V HN 0.480 nan 8.190 nan 0.000 0.452 209 Y N -0.181 120.058 120.300 -0.101 0.000 2.377 209 Y HA 0.417 4.967 4.550 0.001 0.000 0.339 209 Y C -1.415 174.486 175.900 0.001 0.000 1.011 209 Y CA -2.563 55.523 58.100 -0.023 0.000 1.093 209 Y CB 1.070 39.548 38.460 0.030 0.000 1.201 209 Y HN -0.063 nan 8.280 nan 0.000 0.455 210 P HA -0.171 nan 4.420 nan 0.000 0.219 210 P C -0.259 177.157 177.300 0.194 0.000 1.150 210 P CA 1.391 64.580 63.100 0.149 0.000 0.814 210 P CB 0.434 32.209 31.700 0.124 0.000 0.787 211 Y N 1.189 121.550 120.300 0.102 0.000 2.369 211 Y HA 0.442 4.992 4.550 0.001 0.000 0.337 211 Y C 0.064 176.010 175.900 0.076 0.000 0.961 211 Y CA -0.897 57.243 58.100 0.068 0.000 1.186 211 Y CB 0.831 39.305 38.460 0.023 0.000 1.139 211 Y HN -0.288 nan 8.280 nan 0.000 0.494 212 R N 4.751 125.285 120.500 0.057 0.000 2.472 212 R HA 0.472 4.812 4.340 0.001 0.000 0.294 212 R C -0.495 175.812 176.300 0.012 0.000 1.243 212 R CA -0.584 55.586 56.100 0.117 0.000 1.023 212 R CB 1.334 31.741 30.300 0.178 0.000 1.157 212 R HN 0.805 nan 8.270 nan 0.000 0.530 213 G N 2.001 110.838 108.800 0.062 0.000 2.714 213 G HA2 0.738 4.699 3.960 0.001 0.000 0.292 213 G HA3 0.738 4.699 3.960 0.001 0.000 0.292 213 G C -0.871 174.056 174.900 0.046 0.000 1.308 213 G CA -0.577 44.542 45.100 0.031 0.000 0.964 213 G HN 0.293 nan 8.290 nan 0.000 0.484 214 I N 0.326 120.922 120.570 0.045 0.000 2.533 214 I HA 0.352 4.523 4.170 0.001 0.000 0.290 214 I C -0.800 175.278 176.117 -0.066 0.000 1.056 214 I CA -0.659 60.612 61.300 -0.049 0.000 1.057 214 I CB 2.417 40.396 38.000 -0.035 0.000 1.240 214 I HN 0.269 nan 8.210 nan 0.000 0.423 215 L N 6.831 127.888 121.223 -0.276 0.000 2.275 215 L HA 0.541 4.882 4.340 0.001 0.000 0.288 215 L C -1.387 175.117 176.870 -0.610 0.000 1.046 215 L CA -0.639 53.877 54.840 -0.541 0.000 0.805 215 L CB 1.285 42.911 42.059 -0.721 0.000 1.193 215 L HN 0.490 nan 8.230 nan 0.000 0.426 216 L N 5.200 126.040 121.223 -0.638 0.000 2.325 216 L HA 0.440 4.780 4.340 0.001 0.000 0.281 216 L C -0.853 175.702 176.870 -0.525 0.000 1.004 216 L CA -0.203 54.288 54.840 -0.582 0.000 0.823 216 L CB 1.474 43.226 42.059 -0.512 0.000 1.236 216 L HN 0.576 nan 8.230 nan 0.000 0.415 217 D N 2.340 122.467 120.400 -0.454 0.000 2.380 217 D HA 0.195 4.835 4.640 0.001 0.000 0.230 217 D C 0.604 176.917 176.300 0.023 0.000 1.154 217 D CA 0.041 53.942 54.000 -0.165 0.000 0.859 217 D CB 1.146 41.860 40.800 -0.143 0.000 1.045 217 D HN 0.623 nan 8.370 nan 0.000 0.495 218 T N 0.658 115.315 114.554 0.172 0.000 3.176 218 T HA 0.478 4.828 4.350 0.001 0.000 0.263 218 T C 1.037 175.989 174.700 0.420 0.000 1.021 218 T CA 0.173 62.488 62.100 0.359 0.000 0.905 218 T CB 0.480 69.631 68.868 0.472 0.000 1.057 218 T HN 0.243 nan 8.240 nan 0.000 0.558 219 A N 1.443 124.455 122.820 0.319 0.000 2.013 219 A HA 0.439 4.760 4.320 0.001 0.000 0.204 219 A C 2.266 179.976 177.584 0.211 0.000 1.262 219 A CA -0.148 52.047 52.037 0.264 0.000 0.800 219 A CB -0.067 19.050 19.000 0.196 0.000 0.909 219 A HN 0.313 nan 8.150 nan 0.000 0.472 220 R N 0.621 121.229 120.500 0.180 0.000 2.148 220 R HA 0.145 4.486 4.340 0.001 0.000 0.227 220 R C -0.315 176.022 176.300 0.062 0.000 1.103 220 R CA 0.934 57.080 56.100 0.077 0.000 0.983 220 R CB -0.014 30.288 30.300 0.004 0.000 0.874 220 R HN 0.440 nan 8.270 nan 0.000 0.451 221 N N -1.960 116.828 118.700 0.147 0.000 2.504 221 N HA 0.038 4.778 4.740 0.001 0.000 0.268 221 N C -1.777 173.881 175.510 0.247 0.000 1.184 221 N CA -0.665 52.455 53.050 0.116 0.000 0.875 221 N CB 1.379 39.852 38.487 -0.023 0.000 1.630 221 N HN -0.080 nan 8.380 nan 0.000 0.486 222 Y N 1.170 121.521 120.300 0.086 0.000 2.346 222 Y HA 0.283 4.833 4.550 0.001 0.000 0.330 222 Y C -0.774 175.180 175.900 0.090 0.000 1.178 222 Y CA 0.316 58.518 58.100 0.171 0.000 1.331 222 Y CB 0.473 38.974 38.460 0.067 0.000 1.253 222 Y HN 0.418 nan 8.280 nan 0.000 0.529 223 Y N 3.468 123.524 120.300 -0.406 0.000 2.350 223 Y HA 0.270 4.821 4.550 0.001 0.000 0.338 223 Y C 0.169 175.825 175.900 -0.407 0.000 0.961 223 Y CA -1.091 56.855 58.100 -0.257 0.000 1.100 223 Y CB 1.600 39.983 38.460 -0.127 0.000 1.179 223 Y HN 0.679 nan 8.280 nan 0.000 0.454 224 S N 2.417 118.115 115.700 -0.004 0.000 2.568 224 S HA 0.010 4.481 4.470 0.001 0.000 0.282 224 S C 1.101 175.767 174.600 0.110 0.000 1.338 224 S CA -0.504 57.760 58.200 0.107 0.000 1.045 224 S CB 0.553 63.828 63.200 0.124 0.000 0.873 224 S HN 0.789 nan 8.310 nan 0.000 0.516 225 I N 0.540 121.220 120.570 0.183 0.000 2.454 225 I HA -0.102 4.069 4.170 0.001 0.000 0.254 225 I C 2.102 178.211 176.117 -0.013 0.000 1.156 225 I CA 1.858 63.232 61.300 0.123 0.000 1.433 225 I CB -0.582 37.546 38.000 0.213 0.000 1.082 225 I HN 0.976 nan 8.210 nan 0.000 0.432 226 E N 1.361 121.558 120.200 -0.005 0.000 2.077 226 E HA -0.268 4.083 4.350 0.001 0.000 0.193 226 E C 2.202 178.755 176.600 -0.078 0.000 0.989 226 E CA 1.762 58.125 56.400 -0.061 0.000 0.800 226 E CB -0.305 29.381 29.700 -0.023 0.000 0.746 226 E HN 0.747 nan 8.360 nan 0.000 0.452 227 S N 0.501 116.186 115.700 -0.025 0.000 2.382 227 S HA -0.151 4.320 4.470 0.001 0.000 0.228 227 S C 2.077 176.639 174.600 -0.063 0.000 1.027 227 S CA 1.142 59.339 58.200 -0.005 0.000 0.991 227 S CB -0.587 62.657 63.200 0.073 0.000 0.823 227 S HN 0.386 nan 8.310 nan 0.000 0.469 228 I N 1.612 122.109 120.570 -0.122 0.000 2.179 228 I HA -0.158 4.012 4.170 0.001 0.000 0.242 228 I C 2.750 178.681 176.117 -0.309 0.000 1.088 228 I CA 1.427 62.575 61.300 -0.252 0.000 1.357 228 I CB -0.299 37.491 38.000 -0.350 0.000 1.051 228 I HN 0.276 nan 8.210 nan 0.000 0.409 229 K N 0.409 120.611 120.400 -0.329 0.000 2.057 229 K HA -0.203 4.118 4.320 0.001 0.000 0.207 229 K C 2.277 178.704 176.600 -0.289 0.000 1.049 229 K CA 1.228 57.205 56.287 -0.517 0.000 0.931 229 K CB -0.222 31.742 32.500 -0.893 0.000 0.714 229 K HN 0.193 nan 8.250 nan 0.000 0.440 230 R N 0.684 121.072 120.500 -0.187 0.000 2.081 230 R HA -0.128 4.213 4.340 0.001 0.000 0.235 230 R C 1.911 178.169 176.300 -0.069 0.000 1.131 230 R CA 1.889 57.934 56.100 -0.092 0.000 0.960 230 R CB -0.233 30.029 30.300 -0.063 0.000 0.856 230 R HN 0.109 nan 8.270 nan 0.000 0.436 231 T N 1.047 115.560 114.554 -0.068 0.000 2.746 231 T HA -0.112 4.238 4.350 0.001 0.000 0.267 231 T C 1.789 176.447 174.700 -0.070 0.000 1.039 231 T CA 1.572 63.672 62.100 0.001 0.000 1.142 231 T CB -0.135 68.659 68.868 -0.124 0.000 0.866 231 T HN 0.203 nan 8.240 nan 0.000 0.444 232 I N 0.987 121.453 120.570 -0.173 0.000 2.286 232 I HA -0.166 4.005 4.170 0.001 0.000 0.248 232 I C 2.652 178.789 176.117 0.033 0.000 1.115 232 I CA 1.302 62.553 61.300 -0.083 0.000 1.392 232 I CB -0.362 37.658 38.000 0.033 0.000 1.065 232 I HN 0.324 nan 8.210 nan 0.000 0.418 233 E N 0.892 121.136 120.200 0.073 0.000 2.051 233 E HA -0.228 4.122 4.350 0.001 0.000 0.192 233 E C 2.383 178.902 176.600 -0.136 0.000 0.991 233 E CA 1.411 57.821 56.400 0.017 0.000 0.799 233 E CB -0.236 29.487 29.700 0.039 0.000 0.748 233 E HN 0.539 nan 8.360 nan 0.000 0.449 234 A N 1.183 123.837 122.820 -0.276 0.000 1.933 234 A HA -0.172 4.149 4.320 0.001 0.000 0.218 234 A C 2.176 179.478 177.584 -0.471 0.000 1.175 234 A CA 1.302 52.962 52.037 -0.628 0.000 0.628 234 A CB -0.447 17.764 19.000 -1.315 0.000 0.814 234 A HN 0.132 nan 8.150 nan 0.000 0.444 235 M N -0.622 118.917 119.600 -0.102 0.000 2.086 235 M HA -0.150 4.331 4.480 0.001 0.000 0.261 235 M C 2.535 178.872 176.300 0.061 0.000 1.067 235 M CA 1.486 56.863 55.300 0.129 0.000 1.116 235 M CB -0.378 32.303 32.600 0.135 0.000 1.348 235 M HN 0.473 nan 8.290 nan 0.000 0.407 236 A N 0.291 123.121 122.820 0.017 0.000 1.933 236 A HA -0.074 4.247 4.320 0.001 0.000 0.218 236 A C 2.330 179.915 177.584 0.002 0.000 1.175 236 A CA 1.844 53.902 52.037 0.035 0.000 0.628 236 A CB -0.916 18.092 19.000 0.013 0.000 0.814 236 A HN 0.518 nan 8.150 nan 0.000 0.444 237 A N -0.275 122.505 122.820 -0.066 0.000 1.972 237 A HA 0.021 4.342 4.320 0.001 0.000 0.219 237 A C 1.887 179.445 177.584 -0.044 0.000 1.169 237 A CA 1.972 53.958 52.037 -0.085 0.000 0.635 237 A CB -0.787 18.110 19.000 -0.173 0.000 0.810 237 A HN 1.245 nan 8.150 nan 0.000 0.446 238 V N -5.065 114.845 119.914 -0.007 0.000 3.214 238 V HA 0.365 4.486 4.120 0.001 0.000 0.330 238 V C 0.389 176.482 176.094 -0.000 0.000 1.403 238 V CA 0.301 62.642 62.300 0.068 0.000 1.143 238 V CB -0.901 31.057 31.823 0.225 0.000 1.098 238 V HN 0.512 nan 8.190 nan 0.000 0.463 239 K N -0.151 120.233 120.400 -0.027 0.000 3.281 239 K HA -0.171 4.150 4.320 0.001 0.000 0.295 239 K C 0.018 176.712 176.600 0.156 0.000 1.233 239 K CA 0.797 57.060 56.287 -0.039 0.000 0.866 239 K CB -2.030 30.105 32.500 -0.609 0.000 1.265 239 K HN 0.574 nan 8.250 nan 0.000 0.482 240 L N 1.591 122.923 121.223 0.181 0.000 2.426 240 L HA 0.047 4.388 4.340 0.001 0.000 0.271 240 L C 1.545 178.520 176.870 0.175 0.000 1.169 240 L CA 0.053 55.007 54.840 0.190 0.000 0.836 240 L CB 0.265 42.441 42.059 0.195 0.000 1.112 240 L HN 0.273 nan 8.230 nan 0.000 0.465 241 N N -0.887 117.887 118.700 0.123 0.000 2.159 241 N HA 0.032 4.773 4.740 0.001 0.000 0.217 241 N C -0.279 175.176 175.510 -0.092 0.000 1.223 241 N CA -0.226 52.874 53.050 0.084 0.000 0.896 241 N CB 0.915 39.497 38.487 0.159 0.000 1.064 241 N HN 0.440 nan 8.380 nan 0.000 0.518 242 T N 0.890 115.361 114.554 -0.140 0.000 2.881 242 T HA 0.339 4.689 4.350 0.001 0.000 0.291 242 T C -1.844 172.862 174.700 0.009 0.000 0.990 242 T CA -0.523 61.434 62.100 -0.239 0.000 0.976 242 T CB 1.053 69.494 68.868 -0.711 0.000 0.970 242 T HN 0.171 nan 8.240 nan 0.000 0.438 243 F N 4.447 124.316 119.950 -0.135 0.000 2.361 243 F HA 0.404 4.932 4.527 0.001 0.000 0.364 243 F C 0.101 175.911 175.800 0.016 0.000 1.117 243 F CA -0.931 57.026 58.000 -0.072 0.000 1.071 243 F CB 0.567 39.527 39.000 -0.067 0.000 1.188 243 F HN 0.593 nan 8.300 nan 0.000 0.464 244 H N 7.042 125.913 119.070 -0.331 0.000 2.690 244 H HA 0.118 4.674 4.556 0.001 0.000 0.289 244 H C -1.430 173.576 175.328 -0.536 0.000 1.089 244 H CA -0.915 54.933 56.048 -0.334 0.000 1.299 244 H CB 0.255 29.921 29.762 -0.160 0.000 1.405 244 H HN 0.647 nan 8.280 nan 0.000 0.463 245 W N 7.039 128.060 121.300 -0.466 0.000 2.360 245 W HA 0.159 4.819 4.660 0.001 0.000 0.344 245 W C -0.555 175.769 176.519 -0.324 0.000 1.025 245 W CA -0.934 56.081 57.345 -0.550 0.000 1.480 245 W CB -0.718 28.465 29.460 -0.462 0.000 1.350 245 W HN 0.792 nan 8.180 nan 0.000 0.382 246 H N 5.503 124.462 119.070 -0.184 0.000 2.982 246 H HA 0.137 4.694 4.556 0.001 0.000 0.261 246 H C 1.197 176.495 175.328 -0.050 0.000 1.603 246 H CA 0.347 56.279 56.048 -0.192 0.000 1.398 246 H CB 0.029 29.575 29.762 -0.360 0.000 1.693 246 H HN 0.556 nan 8.280 nan 0.000 0.535 247 I N 2.824 123.261 120.570 -0.222 0.000 3.428 247 I HA -0.001 4.170 4.170 0.001 0.000 0.286 247 I C -0.098 175.911 176.117 -0.180 0.000 1.287 247 I CA 0.518 61.697 61.300 -0.201 0.000 1.396 247 I CB 0.096 37.752 38.000 -0.573 0.000 1.062 247 I HN 0.616 nan 8.210 nan 0.000 0.471 248 T N -3.214 111.126 114.554 -0.356 0.000 2.903 248 T HA 0.503 4.853 4.350 0.001 0.000 0.299 248 T C -0.798 173.734 174.700 -0.280 0.000 1.093 248 T CA -0.832 61.078 62.100 -0.316 0.000 1.002 248 T CB 2.955 71.545 68.868 -0.464 0.000 1.127 248 T HN -0.045 nan 8.240 nan 0.000 0.488 249 D N -0.473 119.900 120.400 -0.045 0.000 2.851 249 D HA 0.263 4.904 4.640 0.001 0.000 0.339 249 D C 1.281 177.661 176.300 0.134 0.000 1.347 249 D CA 0.046 54.088 54.000 0.071 0.000 0.888 249 D CB 1.795 42.706 40.800 0.186 0.000 1.431 249 D HN 0.609 nan 8.370 nan 0.000 0.509 250 S N -0.173 115.618 115.700 0.153 0.000 2.399 250 S HA -0.210 4.261 4.470 0.001 0.000 0.231 250 S C 1.545 176.264 174.600 0.198 0.000 1.022 250 S CA 1.363 59.652 58.200 0.148 0.000 0.983 250 S CB -0.142 63.130 63.200 0.120 0.000 0.803 250 S HN 0.358 nan 8.310 nan 0.000 0.480 251 Q N 1.652 121.558 119.800 0.177 0.000 2.119 251 Q HA 0.137 4.478 4.340 0.001 0.000 0.201 251 Q C 1.018 177.133 176.000 0.191 0.000 0.972 251 Q CA 1.196 57.101 55.803 0.170 0.000 0.847 251 Q CB -0.069 28.734 28.738 0.109 0.000 0.903 251 Q HN 0.830 nan 8.270 nan 0.000 0.433 252 S N -2.105 113.720 115.700 0.209 0.000 2.587 252 S HA 0.526 4.996 4.470 0.001 0.000 0.269 252 S C -1.590 173.197 174.600 0.312 0.000 1.154 252 S CA -1.019 57.328 58.200 0.246 0.000 0.824 252 S CB 0.480 63.813 63.200 0.223 0.000 1.118 252 S HN 0.154 nan 8.310 nan 0.000 0.462 253 F N 2.815 122.880 119.950 0.193 0.000 2.686 253 F HA 0.489 5.017 4.527 0.001 0.000 0.365 253 F C -2.129 173.818 175.800 0.244 0.000 1.196 253 F CA -2.112 56.025 58.000 0.228 0.000 1.198 253 F CB 2.072 41.186 39.000 0.190 0.000 1.454 253 F HN 0.457 nan 8.300 nan 0.000 0.539 254 P HA -0.117 nan 4.420 nan 0.000 0.225 254 P C 0.526 178.066 177.300 0.400 0.000 1.156 254 P CA 0.660 63.980 63.100 0.366 0.000 0.787 254 P CB -0.021 31.932 31.700 0.422 0.000 0.802 255 F N 1.752 121.854 119.950 0.252 0.000 2.543 255 F HA 0.103 4.630 4.527 0.001 0.000 0.375 255 F C 0.228 176.140 175.800 0.187 0.000 1.075 255 F CA -0.422 57.687 58.000 0.182 0.000 1.225 255 F CB 0.551 39.578 39.000 0.044 0.000 1.099 255 F HN -0.377 nan 8.300 nan 0.000 0.561 256 V N 6.307 125.811 119.914 -0.683 0.000 2.356 256 V HA 0.062 4.183 4.120 0.001 0.000 0.258 256 V C 0.407 175.880 176.094 -1.035 0.000 1.065 256 V CA -0.166 61.550 62.300 -0.973 0.000 0.935 256 V CB 0.533 31.843 31.823 -0.854 0.000 1.061 256 V HN 0.804 nan 8.190 nan 0.000 0.484 257 T N 3.120 117.322 114.554 -0.586 0.000 2.738 257 T HA 0.150 4.500 4.350 0.001 0.000 0.298 257 T C 1.310 175.935 174.700 -0.125 0.000 0.962 257 T CA -0.144 61.759 62.100 -0.328 0.000 0.972 257 T CB 0.903 69.756 68.868 -0.024 0.000 0.928 257 T HN 0.716 nan 8.240 nan 0.000 0.474 258 T N 4.813 119.281 114.554 -0.144 0.000 2.746 258 T HA -0.070 4.280 4.350 0.001 0.000 0.267 258 T C 1.898 176.550 174.700 -0.081 0.000 1.039 258 T CA 1.275 63.327 62.100 -0.081 0.000 1.142 258 T CB -0.002 68.814 68.868 -0.086 0.000 0.866 258 T HN 0.629 nan 8.240 nan 0.000 0.444 259 K N 0.451 120.792 120.400 -0.098 0.000 2.097 259 K HA 0.022 4.343 4.320 0.001 0.000 0.205 259 K C 0.817 177.296 176.600 -0.201 0.000 1.050 259 K CA 0.775 56.984 56.287 -0.131 0.000 0.938 259 K CB 0.154 32.582 32.500 -0.119 0.000 0.718 259 K HN 0.044 nan 8.250 nan 0.000 0.442 260 R N 0.517 120.887 120.500 -0.216 0.000 2.681 260 R HA 0.145 4.486 4.340 0.001 0.000 0.277 260 R C -2.334 173.785 176.300 -0.301 0.000 1.563 260 R CA -1.462 54.443 56.100 -0.324 0.000 1.673 260 R CB 0.780 30.824 30.300 -0.426 0.000 1.258 260 R HN 0.071 nan 8.270 nan 0.000 0.650 261 P HA -0.099 nan 4.420 nan 0.000 0.220 261 P C 0.625 177.461 177.300 -0.773 0.000 1.148 261 P CA 0.905 63.790 63.100 -0.359 0.000 0.803 261 P CB 0.419 31.965 31.700 -0.256 0.000 0.782 262 N N -0.262 118.023 118.700 -0.691 0.000 2.289 262 N HA -0.071 4.670 4.740 0.001 0.000 0.184 262 N C 1.804 176.759 175.510 -0.925 0.000 1.016 262 N CA 0.761 53.222 53.050 -0.981 0.000 0.872 262 N CB -0.943 36.996 38.487 -0.914 0.000 0.973 262 N HN 0.213 nan 8.380 nan 0.000 0.433 263 L N -0.156 120.606 121.223 -0.768 0.000 2.017 263 L HA -0.209 4.132 4.340 0.001 0.000 0.208 263 L C 2.361 178.807 176.870 -0.706 0.000 1.073 263 L CA 1.453 55.734 54.840 -0.932 0.000 0.745 263 L CB -0.832 40.350 42.059 -1.461 0.000 0.894 263 L HN 0.291 nan 8.230 nan 0.000 0.432 264 Y N -0.108 119.877 120.300 -0.525 0.000 2.242 264 Y HA -0.108 4.442 4.550 0.001 0.000 0.291 264 Y C 2.373 178.195 175.900 -0.130 0.000 1.137 264 Y CA 0.794 58.803 58.100 -0.150 0.000 1.181 264 Y CB -0.654 37.787 38.460 -0.032 0.000 0.989 264 Y HN -0.090 nan 8.280 nan 0.000 0.527 265 K N 0.472 120.419 120.400 -0.754 0.000 2.026 265 K HA -0.089 4.232 4.320 0.001 0.000 0.208 265 K C 1.886 178.406 176.600 -0.133 0.000 1.048 265 K CA 2.143 58.118 56.287 -0.521 0.000 0.929 265 K CB -0.482 31.579 32.500 -0.733 0.000 0.713 265 K HN 0.413 nan 8.250 nan 0.000 0.439 266 F N -0.017 119.810 119.950 -0.205 0.000 2.206 266 F HA -0.073 4.455 4.527 0.001 0.000 0.298 266 F C 2.494 178.269 175.800 -0.043 0.000 1.090 266 F CA 0.312 58.244 58.000 -0.113 0.000 1.323 266 F CB -0.373 38.554 39.000 -0.121 0.000 1.028 266 F HN 0.192 nan 8.300 nan 0.000 0.492 267 G N 0.223 109.095 108.800 0.121 0.000 2.408 267 G HA2 0.033 3.993 3.960 0.001 0.000 0.217 267 G HA3 0.033 3.993 3.960 0.001 0.000 0.217 267 G C 0.832 175.862 174.900 0.216 0.000 1.150 267 G CA 0.446 45.655 45.100 0.181 0.000 0.776 267 G HN 0.354 nan 8.290 nan 0.000 0.542 268 A N -0.269 122.664 122.820 0.187 0.000 2.425 268 A HA 0.503 4.824 4.320 0.001 0.000 0.242 268 A C 1.481 179.124 177.584 0.098 0.000 1.077 268 A CA -0.399 51.729 52.037 0.152 0.000 0.781 268 A CB 0.463 19.537 19.000 0.123 0.000 1.020 268 A HN 0.231 nan 8.150 nan 0.000 0.494 269 L N 1.023 122.284 121.223 0.064 0.000 2.131 269 L HA -0.053 4.287 4.340 0.001 0.000 0.210 269 L C 1.267 178.134 176.870 -0.004 0.000 1.092 269 L CA 1.687 56.547 54.840 0.034 0.000 0.759 269 L CB -0.398 41.676 42.059 0.026 0.000 0.903 269 L HN 0.944 nan 8.230 nan 0.000 0.435 270 S N -3.891 111.783 115.700 -0.043 0.000 2.611 270 S HA 0.340 4.810 4.470 0.001 0.000 0.268 270 S C -2.489 172.077 174.600 -0.057 0.000 1.156 270 S CA -1.030 57.141 58.200 -0.047 0.000 0.817 270 S CB 1.254 64.412 63.200 -0.071 0.000 1.122 270 S HN -0.302 nan 8.310 nan 0.000 0.466 271 P HA -0.001 nan 4.420 nan 0.000 0.218 271 P C 1.150 178.416 177.300 -0.057 0.000 1.149 271 P CA 1.267 64.358 63.100 -0.016 0.000 0.817 271 P CB 0.017 31.713 31.700 -0.006 0.000 0.785 272 Q N -0.163 119.576 119.800 -0.101 0.000 2.167 272 Q HA -0.058 4.283 4.340 0.001 0.000 0.202 272 Q C 0.734 176.542 176.000 -0.321 0.000 0.970 272 Q CA 1.195 56.909 55.803 -0.148 0.000 0.855 272 Q CB -0.649 28.015 28.738 -0.124 0.000 0.911 272 Q HN 0.251 nan 8.270 nan 0.000 0.438 273 K N 0.540 120.654 120.400 -0.476 0.000 2.307 273 K HA 0.307 4.627 4.320 0.001 0.000 0.240 273 K C -1.177 175.030 176.600 -0.655 0.000 1.214 273 K CA -0.132 55.501 56.287 -1.090 0.000 1.149 273 K CB 0.374 32.306 32.500 -0.947 0.000 1.668 273 K HN -0.105 nan 8.250 nan 0.000 0.314 274 V N 1.638 121.295 119.914 -0.428 0.000 3.114 274 V HA 0.342 4.463 4.120 0.001 0.000 0.308 274 V C -1.649 174.331 176.094 -0.191 0.000 1.168 274 V CA -0.988 61.201 62.300 -0.185 0.000 1.015 274 V CB 2.054 33.821 31.823 -0.095 0.000 1.050 274 V HN 0.333 nan 8.190 nan 0.000 0.433 275 Y N 1.771 122.202 120.300 0.219 0.000 2.388 275 Y HA 0.493 5.044 4.550 0.001 0.000 0.328 275 Y C 0.898 176.806 175.900 0.014 0.000 0.963 275 Y CA -0.815 57.405 58.100 0.199 0.000 1.240 275 Y CB 1.431 40.056 38.460 0.276 0.000 1.118 275 Y HN 0.717 nan 8.280 nan 0.000 0.484 276 T N -1.309 113.305 114.554 0.100 0.000 2.766 276 T HA 0.200 4.550 4.350 0.001 0.000 0.295 276 T C 1.209 175.899 174.700 -0.017 0.000 1.024 276 T CA -0.727 61.349 62.100 -0.039 0.000 1.018 276 T CB 1.105 69.958 68.868 -0.025 0.000 1.002 276 T HN 0.635 nan 8.240 nan 0.000 0.532 277 K N 0.679 121.032 120.400 -0.077 0.000 2.057 277 K HA -0.065 4.255 4.320 0.001 0.000 0.207 277 K C 2.644 179.236 176.600 -0.013 0.000 1.049 277 K CA 1.265 57.521 56.287 -0.052 0.000 0.931 277 K CB -0.634 31.826 32.500 -0.067 0.000 0.714 277 K HN 0.729 nan 8.250 nan 0.000 0.440 278 A N 1.621 124.441 122.820 -0.001 0.000 1.933 278 A HA -0.112 4.209 4.320 0.001 0.000 0.218 278 A C 2.382 179.998 177.584 0.054 0.000 1.175 278 A CA 1.811 53.861 52.037 0.022 0.000 0.628 278 A CB -0.595 18.417 19.000 0.020 0.000 0.814 278 A HN 0.336 nan 8.150 nan 0.000 0.444 279 A N 0.066 122.939 122.820 0.087 0.000 1.898 279 A HA -0.063 4.258 4.320 0.001 0.000 0.216 279 A C 2.108 179.790 177.584 0.164 0.000 1.181 279 A CA 1.474 53.601 52.037 0.149 0.000 0.620 279 A CB -0.600 18.541 19.000 0.236 0.000 0.819 279 A HN 0.497 nan 8.150 nan 0.000 0.442 280 I N -0.916 119.725 120.570 0.118 0.000 2.226 280 I HA -0.278 3.893 4.170 0.001 0.000 0.245 280 I C 2.759 178.873 176.117 -0.004 0.000 1.100 280 I CA 1.428 62.745 61.300 0.028 0.000 1.374 280 I CB -0.393 37.455 38.000 -0.253 0.000 1.057 280 I HN 0.291 nan 8.210 nan 0.000 0.413 281 R N 0.451 120.947 120.500 -0.006 0.000 2.096 281 R HA -0.200 4.141 4.340 0.001 0.000 0.235 281 R C 2.258 178.604 176.300 0.078 0.000 1.127 281 R CA 1.418 57.530 56.100 0.021 0.000 0.968 281 R CB -0.295 30.016 30.300 0.019 0.000 0.861 281 R HN 0.425 nan 8.270 nan 0.000 0.440 282 E N 0.362 120.616 120.200 0.090 0.000 2.051 282 E HA -0.167 4.183 4.350 0.001 0.000 0.192 282 E C 1.894 178.586 176.600 0.153 0.000 0.991 282 E CA 1.345 57.814 56.400 0.114 0.000 0.799 282 E CB 0.195 29.949 29.700 0.090 0.000 0.748 282 E HN 0.104 nan 8.360 nan 0.000 0.449 283 V N 0.481 120.484 119.914 0.149 0.000 2.343 283 V HA -0.226 3.895 4.120 0.001 0.000 0.247 283 V C 2.397 178.637 176.094 0.244 0.000 1.051 283 V CA 1.271 63.675 62.300 0.173 0.000 1.036 283 V CB -0.251 31.687 31.823 0.191 0.000 0.654 283 V HN 0.183 nan 8.190 nan 0.000 0.451 284 V N 0.196 120.240 119.914 0.215 0.000 2.295 284 V HA -0.257 3.864 4.120 0.001 0.000 0.246 284 V C 2.626 178.859 176.094 0.232 0.000 1.049 284 V CA 2.373 64.807 62.300 0.223 0.000 1.024 284 V CB -0.754 31.159 31.823 0.151 0.000 0.648 284 V HN 0.500 nan 8.190 nan 0.000 0.447 285 R N 0.065 120.683 120.500 0.197 0.000 2.081 285 R HA -0.175 4.166 4.340 0.001 0.000 0.235 285 R C 2.067 178.491 176.300 0.207 0.000 1.131 285 R CA 1.900 58.108 56.100 0.180 0.000 0.960 285 R CB -0.992 29.389 30.300 0.135 0.000 0.856 285 R HN 0.440 nan 8.270 nan 0.000 0.436 286 F N 0.268 120.274 119.950 0.093 0.000 2.161 286 F HA -0.034 4.494 4.527 0.001 0.000 0.300 286 F C 2.014 177.875 175.800 0.102 0.000 1.089 286 F CA 2.055 60.101 58.000 0.076 0.000 1.282 286 F CB -0.701 38.328 39.000 0.048 0.000 1.010 286 F HN 0.195 nan 8.300 nan 0.000 0.485 287 G N 0.233 109.230 108.800 0.329 0.000 2.421 287 G HA2 -0.288 3.673 3.960 0.001 0.000 0.216 287 G HA3 -0.288 3.673 3.960 0.001 0.000 0.216 287 G C 1.557 176.638 174.900 0.302 0.000 1.171 287 G CA 0.917 46.176 45.100 0.265 0.000 0.775 287 G HN 0.419 nan 8.290 nan 0.000 0.543 288 L N 0.749 122.181 121.223 0.349 0.000 2.046 288 L HA 0.016 4.357 4.340 0.001 0.000 0.208 288 L C 2.538 179.612 176.870 0.340 0.000 1.077 288 L CA 2.133 57.247 54.840 0.456 0.000 0.747 288 L CB -0.622 41.645 42.059 0.346 0.000 0.896 288 L HN 0.368 nan 8.230 nan 0.000 0.432 289 E N -0.518 119.783 120.200 0.168 0.000 2.265 289 E HA -0.194 4.157 4.350 0.001 0.000 0.196 289 E C 1.509 178.227 176.600 0.197 0.000 0.996 289 E CA 1.000 57.466 56.400 0.110 0.000 0.832 289 E CB -0.034 29.635 29.700 -0.052 0.000 0.756 289 E HN 0.500 nan 8.360 nan 0.000 0.491 290 R N -0.754 119.836 120.500 0.150 0.000 2.546 290 R HA 0.158 4.499 4.340 0.001 0.000 0.320 290 R C 0.570 176.981 176.300 0.185 0.000 1.021 290 R CA 0.353 56.510 56.100 0.095 0.000 1.088 290 R CB 1.032 31.318 30.300 -0.023 0.000 1.278 290 R HN 0.154 nan 8.270 nan 0.000 0.557 291 G N 0.880 109.899 108.800 0.365 0.000 2.198 291 G HA2 -0.249 3.712 3.960 0.001 0.000 0.260 291 G HA3 -0.249 3.712 3.960 0.001 0.000 0.260 291 G C -0.097 175.071 174.900 0.448 0.000 1.025 291 G CA 0.274 45.651 45.100 0.461 0.000 0.769 291 G HN 0.166 nan 8.290 nan 0.000 0.507 292 V N 0.595 120.745 119.914 0.393 0.000 2.444 292 V HA 0.469 4.590 4.120 0.001 0.000 0.294 292 V C 0.814 176.776 176.094 -0.219 0.000 1.022 292 V CA -1.049 61.312 62.300 0.102 0.000 0.850 292 V CB 1.688 33.567 31.823 0.094 0.000 0.992 292 V HN 0.493 nan 8.190 nan 0.000 0.426 293 R N 3.751 123.783 120.500 -0.779 0.000 2.401 293 R HA 0.382 4.723 4.340 0.001 0.000 0.299 293 R C -1.054 175.095 176.300 -0.252 0.000 1.064 293 R CA -0.208 55.301 56.100 -0.984 0.000 1.000 293 R CB 0.954 30.654 30.300 -1.000 0.000 0.973 293 R HN 0.531 nan 8.270 nan 0.000 0.438 294 V N 7.687 127.581 119.914 -0.033 0.000 2.320 294 V HA 0.204 4.325 4.120 0.001 0.000 0.265 294 V C 0.181 176.386 176.094 0.185 0.000 1.048 294 V CA -0.472 61.959 62.300 0.218 0.000 0.865 294 V CB 0.915 32.997 31.823 0.433 0.000 1.043 294 V HN 0.664 nan 8.190 nan 0.000 0.474 295 L N 8.937 130.192 121.223 0.053 0.000 2.276 295 L HA 0.575 4.916 4.340 0.001 0.000 0.286 295 L C -2.183 174.609 176.870 -0.130 0.000 1.024 295 L CA -1.752 53.064 54.840 -0.039 0.000 0.826 295 L CB 2.357 44.377 42.059 -0.065 0.000 1.211 295 L HN 0.404 nan 8.230 nan 0.000 0.422 296 P HA 0.188 nan 4.420 nan 0.000 0.281 296 P C -1.453 175.710 177.300 -0.228 0.000 1.249 296 P CA -0.404 62.375 63.100 -0.534 0.000 0.810 296 P CB 1.519 32.432 31.700 -1.311 0.000 1.008 297 E N 1.860 121.930 120.200 -0.217 0.000 2.210 297 E HA 0.386 4.736 4.350 0.001 0.000 0.266 297 E C -1.874 174.641 176.600 -0.142 0.000 0.883 297 E CA -0.808 55.472 56.400 -0.200 0.000 0.761 297 E CB 1.089 30.725 29.700 -0.107 0.000 1.156 297 E HN 0.271 nan 8.360 nan 0.000 0.412 298 F N 4.536 124.386 119.950 -0.166 0.000 2.325 298 F HA 0.257 4.785 4.527 0.001 0.000 0.369 298 F C -0.447 175.402 175.800 0.082 0.000 1.095 298 F CA -0.892 57.128 58.000 0.033 0.000 1.082 298 F CB 0.885 40.113 39.000 0.381 0.000 1.289 298 F HN 0.375 nan 8.300 nan 0.000 0.462 299 D N 4.831 124.961 120.400 -0.451 0.000 2.371 299 D HA 0.514 5.155 4.640 0.001 0.000 0.256 299 D C -0.784 175.440 176.300 -0.126 0.000 1.193 299 D CA 0.515 54.420 54.000 -0.157 0.000 0.881 299 D CB 1.052 41.772 40.800 -0.133 0.000 1.143 299 D HN 0.700 nan 8.370 nan 0.000 0.473 300 A N 4.496 127.424 122.820 0.181 0.000 2.606 300 A HA 0.587 4.907 4.320 0.001 0.000 0.293 300 A C -2.401 175.296 177.584 0.188 0.000 1.082 300 A CA -0.920 51.242 52.037 0.208 0.000 0.685 300 A CB 1.985 21.330 19.000 0.575 0.000 1.284 300 A HN 0.408 nan 8.150 nan 0.000 0.408 301 P HA 0.225 nan 4.420 nan 0.000 0.251 301 P C 0.657 177.726 177.300 -0.385 0.000 1.223 301 P CA 0.992 63.806 63.100 -0.476 0.000 0.796 301 P CB 0.392 31.609 31.700 -0.806 0.000 1.068 302 A N 0.052 122.649 122.820 -0.373 0.000 2.250 302 A HA 0.333 4.654 4.320 0.001 0.000 0.283 302 A C 0.408 177.879 177.584 -0.188 0.000 1.206 302 A CA -0.217 51.589 52.037 -0.385 0.000 0.840 302 A CB -0.718 17.995 19.000 -0.479 0.000 1.220 302 A HN 0.296 nan 8.150 nan 0.000 0.505 303 H N -2.803 116.145 119.070 -0.204 0.000 2.756 303 H HA -0.137 4.420 4.556 0.001 0.000 0.315 303 H C -0.267 174.983 175.328 -0.130 0.000 1.210 303 H CA 0.937 56.901 56.048 -0.140 0.000 1.150 303 H CB -2.500 27.197 29.762 -0.108 0.000 1.463 303 H HN 1.198 nan 8.280 nan 0.000 0.427 304 V N -3.591 116.267 119.914 -0.092 0.000 2.876 304 V HA 0.988 5.108 4.120 0.001 0.000 0.312 304 V C 0.384 176.415 176.094 -0.105 0.000 1.085 304 V CA 0.222 62.469 62.300 -0.088 0.000 0.945 304 V CB 2.742 34.374 31.823 -0.318 0.000 1.017 304 V HN 0.403 nan 8.190 nan 0.000 0.428 305 G N 1.637 110.392 108.800 -0.075 0.000 3.326 305 G HA2 0.201 4.161 3.960 0.001 0.000 0.138 305 G HA3 0.201 4.161 3.960 0.001 0.000 0.138 305 G C -0.341 174.185 174.900 -0.624 0.000 1.172 305 G CA -0.315 44.466 45.100 -0.533 0.000 1.485 305 G HN 0.715 nan 8.290 nan 0.000 0.725 306 E N 1.621 121.642 120.200 -0.299 0.000 2.465 306 E HA 0.381 4.732 4.350 0.001 0.000 0.260 306 E C 1.134 177.803 176.600 0.113 0.000 0.980 306 E CA 1.435 57.814 56.400 -0.035 0.000 0.927 306 E CB 0.837 30.647 29.700 0.183 0.000 0.934 306 E HN 1.390 nan 8.360 nan 0.000 0.459 307 G N 3.122 111.955 108.800 0.054 0.000 2.254 307 G HA2 -0.262 3.699 3.960 0.001 0.000 0.225 307 G HA3 -0.262 3.699 3.960 0.001 0.000 0.225 307 G C 0.568 175.334 174.900 -0.223 0.000 1.003 307 G CA 0.028 45.074 45.100 -0.090 0.000 0.622 307 G HN 0.552 nan 8.290 nan 0.000 0.507 308 W N 1.982 123.227 121.300 -0.092 0.000 3.256 308 W HA 0.549 5.210 4.660 0.002 0.000 0.269 308 W C 1.207 177.687 176.519 -0.065 0.000 1.310 308 W CA 0.061 57.342 57.345 -0.107 0.000 1.673 308 W CB 0.271 29.641 29.460 -0.150 0.000 1.115 308 W HN 0.250 nan 8.180 nan 0.000 0.686 309 Q N 1.234 121.111 119.800 0.128 0.000 2.315 309 Q HA 0.004 4.345 4.340 0.001 0.000 0.289 309 Q C 0.541 176.607 176.000 0.110 0.000 1.044 309 Q CA 1.223 57.085 55.803 0.098 0.000 0.920 309 Q CB 0.173 28.926 28.738 0.024 0.000 1.214 309 Q HN 0.098 nan 8.270 nan 0.000 0.392 310 D N -0.210 120.235 120.400 0.074 0.000 3.006 310 D HA -0.185 4.456 4.640 0.001 0.000 0.205 310 D C 0.727 177.076 176.300 0.081 0.000 1.075 310 D CA 1.683 55.725 54.000 0.070 0.000 1.000 310 D CB -1.542 39.308 40.800 0.084 0.000 1.097 310 D HN 0.766 nan 8.370 nan 0.000 0.426 311 T N -3.051 111.550 114.554 0.078 0.000 3.044 311 T HA 0.138 4.489 4.350 0.001 0.000 0.255 311 T C 0.907 175.621 174.700 0.022 0.000 1.073 311 T CA 1.152 63.277 62.100 0.042 0.000 1.125 311 T CB 0.424 69.282 68.868 -0.017 0.000 0.908 311 T HN 0.025 nan 8.240 nan 0.000 0.480 312 D N -0.076 120.344 120.400 0.032 0.000 3.012 312 D HA -0.128 4.512 4.640 0.001 0.000 0.222 312 D C 0.400 176.688 176.300 -0.019 0.000 1.167 312 D CA 0.624 54.632 54.000 0.013 0.000 0.854 312 D CB -1.695 39.113 40.800 0.014 0.000 1.107 312 D HN 0.560 nan 8.370 nan 0.000 0.421 313 L N -0.616 120.587 121.223 -0.033 0.000 2.607 313 L HA 0.229 4.570 4.340 0.001 0.000 0.228 313 L C 1.111 177.870 176.870 -0.185 0.000 1.123 313 L CA 0.796 55.569 54.840 -0.112 0.000 0.890 313 L CB 0.060 42.032 42.059 -0.145 0.000 1.103 313 L HN 0.235 nan 8.230 nan 0.000 0.468 314 T N -1.661 112.819 114.554 -0.124 0.000 2.930 314 T HA 0.702 5.053 4.350 0.001 0.000 0.290 314 T C -0.355 174.315 174.700 -0.050 0.000 1.052 314 T CA -0.712 61.301 62.100 -0.145 0.000 1.017 314 T CB 2.431 71.196 68.868 -0.172 0.000 1.137 314 T HN -0.112 nan 8.240 nan 0.000 0.511 315 V N -2.563 117.333 119.914 -0.030 0.000 2.914 315 V HA 0.610 4.731 4.120 0.001 0.000 0.314 315 V C 0.630 176.714 176.094 -0.018 0.000 1.084 315 V CA -1.078 61.221 62.300 -0.002 0.000 0.963 315 V CB 0.480 32.324 31.823 0.035 0.000 1.025 315 V HN 1.364 nan 8.190 nan 0.000 0.432 316 C N 1.410 120.681 119.300 -0.050 0.000 4.358 316 C HA -0.184 4.276 4.460 0.001 0.000 0.287 316 C C 0.412 175.393 174.990 -0.014 0.000 1.414 316 C CA 0.635 59.580 59.018 -0.122 0.000 1.949 316 C CB -3.277 24.352 27.740 -0.185 0.000 1.274 316 C HN 1.201 nan 8.230 nan 0.000 0.793 317 F N 1.937 121.827 119.950 -0.100 0.000 2.578 317 F HA 0.405 4.933 4.527 0.001 0.000 0.381 317 F C 1.264 177.029 175.800 -0.059 0.000 1.069 317 F CA 0.621 58.584 58.000 -0.063 0.000 1.231 317 F CB 0.077 39.067 39.000 -0.018 0.000 1.086 317 F HN 0.402 nan 8.300 nan 0.000 0.564 318 K N 2.449 122.607 120.400 -0.403 0.000 3.209 318 K HA -0.202 4.119 4.320 0.001 0.000 0.289 318 K C 0.045 176.520 176.600 -0.208 0.000 1.191 318 K CA 0.512 56.545 56.287 -0.424 0.000 0.851 318 K CB -1.768 30.329 32.500 -0.672 0.000 1.242 318 K HN 0.733 nan 8.250 nan 0.000 0.480 319 A N 1.249 123.969 122.820 -0.167 0.000 2.511 319 A HA 0.184 4.504 4.320 0.001 0.000 0.242 319 A C 0.333 177.900 177.584 -0.030 0.000 1.069 319 A CA 0.382 52.290 52.037 -0.215 0.000 0.763 319 A CB 0.325 19.024 19.000 -0.501 0.000 1.001 319 A HN 0.183 nan 8.150 nan 0.000 0.498 320 E N 1.894 122.100 120.200 0.010 0.000 2.238 320 E HA 0.500 4.851 4.350 0.001 0.000 0.267 320 E C -2.488 174.219 176.600 0.178 0.000 0.887 320 E CA -1.678 54.791 56.400 0.116 0.000 0.769 320 E CB 1.599 31.333 29.700 0.056 0.000 1.187 320 E HN 0.576 nan 8.360 nan 0.000 0.416 321 P HA 0.068 nan 4.420 nan 0.000 0.276 321 P C 1.253 178.621 177.300 0.112 0.000 1.230 321 P CA -0.392 62.735 63.100 0.045 0.000 0.776 321 P CB 0.406 32.038 31.700 -0.114 0.000 0.888 322 W N 3.821 125.150 121.300 0.048 0.000 2.374 322 W HA -0.089 4.573 4.660 0.002 0.000 0.288 322 W C 0.762 177.274 176.519 -0.012 0.000 1.218 322 W CA 0.555 57.925 57.345 0.041 0.000 1.245 322 W CB -1.007 28.443 29.460 -0.016 0.000 1.126 322 W HN 0.303 nan 8.180 nan 0.000 0.545 323 K N 0.915 120.882 120.400 -0.722 0.000 2.209 323 K HA -0.106 4.215 4.320 0.001 0.000 0.204 323 K C 2.255 178.642 176.600 -0.355 0.000 1.048 323 K CA 1.767 57.649 56.287 -0.676 0.000 0.940 323 K CB -0.102 31.874 32.500 -0.872 0.000 0.729 323 K HN 0.030 nan 8.250 nan 0.000 0.451 324 S N -0.205 115.281 115.700 -0.357 0.000 2.428 324 S HA -0.084 4.386 4.470 0.001 0.000 0.230 324 S C 1.084 175.330 174.600 -0.590 0.000 1.014 324 S CA 0.989 58.867 58.200 -0.536 0.000 0.957 324 S CB -0.043 62.696 63.200 -0.769 0.000 0.784 324 S HN 0.351 nan 8.310 nan 0.000 0.499 325 Y N -0.035 120.214 120.300 -0.085 0.000 2.430 325 Y HA 0.366 4.917 4.550 0.002 0.000 0.254 325 Y C 1.019 176.858 175.900 -0.101 0.000 1.088 325 Y CA -0.862 57.183 58.100 -0.092 0.000 1.267 325 Y CB 0.243 38.662 38.460 -0.070 0.000 1.204 325 Y HN 0.433 nan 8.280 nan 0.000 0.515 326 c N -2.639 116.021 118.600 0.100 0.000 3.314 326 c HA 0.651 5.222 4.570 0.001 0.000 0.344 326 c C 1.093 175.256 174.090 0.123 0.000 1.461 326 c CA -0.392 55.954 56.329 0.027 0.000 1.249 326 c CB 1.092 43.584 42.510 -0.029 0.000 1.632 326 c HN 0.038 nan 8.230 nan 0.000 0.452 327 V N -1.104 118.826 119.914 0.026 0.000 3.621 327 V HA 0.357 4.478 4.120 0.001 0.000 0.285 327 V C 0.257 176.388 176.094 0.061 0.000 1.346 327 V CA 1.156 63.497 62.300 0.068 0.000 1.104 327 V CB -1.045 30.718 31.823 -0.100 0.000 0.913 327 V HN 1.108 nan 8.190 nan 0.000 0.432 328 E N 0.420 120.573 120.200 -0.078 0.000 2.363 328 E HA 0.521 4.872 4.350 0.001 0.000 0.281 328 E C -3.368 172.982 176.600 -0.415 0.000 0.953 328 E CA -2.118 54.061 56.400 -0.368 0.000 0.778 328 E CB 2.269 31.928 29.700 -0.068 0.000 1.220 328 E HN 0.116 nan 8.360 nan 0.000 0.431 329 P HA 0.295 nan 4.420 nan 0.000 0.279 329 P C -2.501 174.719 177.300 -0.134 0.000 1.239 329 P CA -1.427 61.384 63.100 -0.482 0.000 0.789 329 P CB 0.544 31.767 31.700 -0.796 0.000 0.933 330 P HA 0.262 nan 4.420 nan 0.000 0.287 330 P C -0.346 176.958 177.300 0.006 0.000 1.270 330 P CA -0.439 62.635 63.100 -0.043 0.000 0.844 330 P CB 0.951 32.659 31.700 0.013 0.000 1.068 331 c N 0.656 119.263 118.600 0.010 0.000 2.639 331 c HA 0.774 5.345 4.570 0.001 0.000 0.360 331 c C 1.128 175.260 174.090 0.070 0.000 1.351 331 c CA 0.843 57.174 56.329 0.003 0.000 2.408 331 c CB -0.174 42.351 42.510 0.024 0.000 2.517 331 c HN 0.891 nan 8.230 nan 0.000 0.696 332 G N 1.377 110.161 108.800 -0.027 0.000 2.226 332 G HA2 0.389 4.350 3.960 0.001 0.000 0.257 332 G HA3 0.389 4.350 3.960 0.001 0.000 0.257 332 G C -1.856 172.936 174.900 -0.180 0.000 1.732 332 G CA -0.615 44.471 45.100 -0.025 0.000 0.914 332 G HN 0.692 nan 8.290 nan 0.000 0.742 333 Q N 0.865 120.548 119.800 -0.195 0.000 2.456 333 Q HA 0.573 4.914 4.340 0.001 0.000 0.283 333 Q C -0.117 175.768 176.000 -0.190 0.000 1.084 333 Q CA -1.049 54.599 55.803 -0.259 0.000 0.801 333 Q CB 2.877 31.382 28.738 -0.388 0.000 1.434 333 Q HN 0.569 nan 8.270 nan 0.000 0.419 334 L N 1.623 122.707 121.223 -0.233 0.000 2.461 334 L HA 0.144 4.484 4.340 0.001 0.000 0.272 334 L C 0.442 177.286 176.870 -0.043 0.000 1.197 334 L CA -0.269 54.415 54.840 -0.259 0.000 0.836 334 L CB 0.119 41.963 42.059 -0.359 0.000 1.105 334 L HN 0.524 nan 8.230 nan 0.000 0.477 335 N N 3.847 122.468 118.700 -0.132 0.000 2.500 335 N HA 0.182 4.923 4.740 0.001 0.000 0.236 335 N C -1.966 173.434 175.510 -0.183 0.000 1.022 335 N CA -1.899 51.061 53.050 -0.150 0.000 0.935 335 N CB 1.449 39.858 38.487 -0.130 0.000 1.147 335 N HN 0.243 nan 8.380 nan 0.000 0.512 336 P HA -0.056 nan 4.420 nan 0.000 0.226 336 P C 1.123 178.424 177.300 0.002 0.000 1.153 336 P CA 1.054 64.165 63.100 0.019 0.000 0.777 336 P CB 0.028 31.734 31.700 0.011 0.000 0.794 337 T N -4.246 110.113 114.554 -0.324 0.000 3.072 337 T HA 0.011 4.362 4.350 0.001 0.000 0.266 337 T C 0.876 175.509 174.700 -0.112 0.000 1.127 337 T CA 0.408 62.207 62.100 -0.501 0.000 1.107 337 T CB -0.536 67.880 68.868 -0.754 0.000 0.910 337 T HN -0.097 nan 8.240 nan 0.000 0.513 338 K N 2.298 122.676 120.400 -0.036 0.000 2.248 338 K HA 0.219 4.540 4.320 0.001 0.000 0.281 338 K C 0.377 177.046 176.600 0.116 0.000 1.054 338 K CA -0.120 56.181 56.287 0.022 0.000 0.903 338 K CB 1.570 34.048 32.500 -0.037 0.000 1.077 338 K HN 0.225 nan 8.250 nan 0.000 0.474 339 D N 2.449 122.955 120.400 0.177 0.000 2.144 339 D HA -0.179 4.461 4.640 0.001 0.000 0.199 339 D C 1.406 177.844 176.300 0.230 0.000 0.984 339 D CA 1.323 55.484 54.000 0.269 0.000 0.834 339 D CB 0.394 41.320 40.800 0.211 0.000 0.955 339 D HN 0.670 nan 8.370 nan 0.000 0.465 340 E N -0.640 119.645 120.200 0.142 0.000 2.265 340 E HA -0.171 4.179 4.350 0.001 0.000 0.196 340 E C 1.986 178.674 176.600 0.145 0.000 0.996 340 E CA 0.245 56.739 56.400 0.156 0.000 0.832 340 E CB -0.067 29.723 29.700 0.150 0.000 0.756 340 E HN 0.301 nan 8.360 nan 0.000 0.491 341 L N 0.401 121.606 121.223 -0.030 0.000 2.042 341 L HA -0.226 4.114 4.340 0.001 0.000 0.210 341 L C 1.700 178.453 176.870 -0.195 0.000 1.076 341 L CA 1.829 56.554 54.840 -0.192 0.000 0.749 341 L CB -0.740 41.044 42.059 -0.458 0.000 0.893 341 L HN 0.195 nan 8.230 nan 0.000 0.432 342 Y N -0.400 119.980 120.300 0.134 0.000 2.333 342 Y HA -0.194 4.356 4.550 0.001 0.000 0.290 342 Y C 2.639 178.584 175.900 0.075 0.000 1.144 342 Y CA 1.319 59.468 58.100 0.081 0.000 1.228 342 Y CB -0.789 37.693 38.460 0.037 0.000 0.985 342 Y HN 0.340 nan 8.280 nan 0.000 0.542 343 Q N -1.118 118.796 119.800 0.191 0.000 2.079 343 Q HA -0.191 4.150 4.340 0.001 0.000 0.200 343 Q C 1.805 177.854 176.000 0.082 0.000 0.974 343 Q CA 1.783 57.660 55.803 0.124 0.000 0.840 343 Q CB -0.435 28.373 28.738 0.117 0.000 0.898 343 Q HN 0.578 nan 8.270 nan 0.000 0.430 344 Y N -0.282 120.016 120.300 -0.002 0.000 2.145 344 Y HA -0.246 4.304 4.550 0.001 0.000 0.286 344 Y C 1.905 177.745 175.900 -0.100 0.000 1.145 344 Y CA 0.614 58.705 58.100 -0.016 0.000 1.148 344 Y CB 0.064 38.593 38.460 0.116 0.000 0.981 344 Y HN 0.120 nan 8.280 nan 0.000 0.507 345 L N 0.243 121.471 121.223 0.009 0.000 2.046 345 L HA -0.212 4.128 4.340 0.001 0.000 0.208 345 L C 2.346 178.854 176.870 -0.602 0.000 1.077 345 L CA 1.709 56.292 54.840 -0.428 0.000 0.747 345 L CB -1.146 40.703 42.059 -0.349 0.000 0.896 345 L HN 0.284 nan 8.230 nan 0.000 0.432 346 E N -0.534 119.543 120.200 -0.205 0.000 2.085 346 E HA -0.242 4.108 4.350 0.001 0.000 0.194 346 E C 1.617 178.167 176.600 -0.084 0.000 0.994 346 E CA 1.446 57.801 56.400 -0.075 0.000 0.801 346 E CB 0.139 29.849 29.700 0.018 0.000 0.743 346 E HN 0.447 nan 8.360 nan 0.000 0.453 347 D N 0.335 120.674 120.400 -0.101 0.000 2.117 347 D HA -0.141 4.499 4.640 0.001 0.000 0.197 347 D C 2.053 178.318 176.300 -0.058 0.000 0.987 347 D CA 0.916 54.861 54.000 -0.091 0.000 0.829 347 D CB -0.215 40.499 40.800 -0.144 0.000 0.961 347 D HN 0.298 nan 8.370 nan 0.000 0.460 348 I N 0.386 120.897 120.570 -0.098 0.000 2.179 348 I HA -0.304 3.866 4.170 0.001 0.000 0.242 348 I C 2.183 178.361 176.117 0.102 0.000 1.088 348 I CA 0.948 62.260 61.300 0.019 0.000 1.357 348 I CB -0.246 37.691 38.000 -0.104 0.000 1.051 348 I HN -0.004 nan 8.210 nan 0.000 0.409 349 Y N 0.639 120.913 120.300 -0.043 0.000 2.181 349 Y HA -0.201 4.350 4.550 0.001 0.000 0.288 349 Y C 2.942 178.683 175.900 -0.265 0.000 1.146 349 Y CA 0.791 58.800 58.100 -0.153 0.000 1.164 349 Y CB -1.376 37.008 38.460 -0.127 0.000 0.982 349 Y HN 0.109 nan 8.280 nan 0.000 0.515 350 S N -0.097 115.592 115.700 -0.019 0.000 2.368 350 S HA -0.167 4.304 4.470 0.001 0.000 0.225 350 S C 1.633 176.203 174.600 -0.049 0.000 1.030 350 S CA 1.414 59.560 58.200 -0.091 0.000 0.999 350 S CB -0.309 62.862 63.200 -0.049 0.000 0.844 350 S HN 0.445 nan 8.310 nan 0.000 0.459 351 D N 1.300 121.735 120.400 0.058 0.000 2.117 351 D HA -0.046 4.594 4.640 0.001 0.000 0.197 351 D C 1.904 178.383 176.300 0.298 0.000 0.987 351 D CA 1.017 55.114 54.000 0.161 0.000 0.829 351 D CB -0.286 40.631 40.800 0.196 0.000 0.961 351 D HN 0.367 nan 8.370 nan 0.000 0.460 352 M N 0.453 120.214 119.600 0.268 0.000 2.117 352 M HA -0.139 4.341 4.480 0.001 0.000 0.262 352 M C 2.326 178.699 176.300 0.122 0.000 1.065 352 M CA 1.392 56.809 55.300 0.195 0.000 1.114 352 M CB -0.202 32.381 32.600 -0.028 0.000 1.361 352 M HN -0.031 nan 8.290 nan 0.000 0.408 353 A N -0.133 122.524 122.820 -0.271 0.000 1.933 353 A HA -0.212 4.108 4.320 0.001 0.000 0.218 353 A C 2.004 179.526 177.584 -0.104 0.000 1.175 353 A CA 1.873 53.613 52.037 -0.496 0.000 0.628 353 A CB -0.782 17.569 19.000 -1.083 0.000 0.814 353 A HN 0.569 nan 8.150 nan 0.000 0.444 354 E N -0.049 120.121 120.200 -0.049 0.000 2.077 354 E HA -0.162 4.189 4.350 0.001 0.000 0.193 354 E C 1.935 178.552 176.600 0.028 0.000 0.989 354 E CA 2.047 58.447 56.400 0.000 0.000 0.800 354 E CB -0.102 29.600 29.700 0.003 0.000 0.746 354 E HN 0.564 nan 8.360 nan 0.000 0.452 355 V N -2.020 117.912 119.914 0.031 0.000 2.825 355 V HA 0.065 4.185 4.120 0.001 0.000 0.246 355 V C 1.005 177.014 176.094 -0.142 0.000 1.068 355 V CA 0.469 62.726 62.300 -0.072 0.000 1.088 355 V CB -0.475 31.263 31.823 -0.143 0.000 0.733 355 V HN 0.041 nan 8.190 nan 0.000 0.468 356 F N 3.692 123.695 119.950 0.089 0.000 2.640 356 F HA 0.342 4.870 4.527 0.001 0.000 0.354 356 F C 0.988 176.886 175.800 0.164 0.000 1.213 356 F CA -0.645 57.431 58.000 0.127 0.000 1.314 356 F CB -0.294 38.779 39.000 0.122 0.000 1.679 356 F HN 0.315 nan 8.300 nan 0.000 0.622 357 D N -2.135 118.410 120.400 0.243 0.000 2.340 357 D HA -0.051 4.590 4.640 0.001 0.000 0.217 357 D C 1.559 177.998 176.300 0.232 0.000 1.081 357 D CA 0.447 54.576 54.000 0.216 0.000 0.842 357 D CB -0.588 40.295 40.800 0.139 0.000 0.934 357 D HN 0.391 nan 8.370 nan 0.000 0.511 358 T N -4.357 110.361 114.554 0.274 0.000 3.014 358 T HA 0.080 4.431 4.350 0.001 0.000 0.250 358 T C 1.011 175.890 174.700 0.298 0.000 1.060 358 T CA -0.071 62.225 62.100 0.327 0.000 1.040 358 T CB -0.348 68.779 68.868 0.433 0.000 0.971 358 T HN 0.018 nan 8.240 nan 0.000 0.497 359 T N 2.959 117.652 114.554 0.231 0.000 2.919 359 T HA 0.159 4.510 4.350 0.001 0.000 0.302 359 T C 0.809 175.564 174.700 0.092 0.000 1.031 359 T CA 0.019 62.196 62.100 0.129 0.000 1.127 359 T CB 0.556 69.485 68.868 0.102 0.000 0.952 359 T HN 0.486 nan 8.240 nan 0.000 0.540 360 D N 3.709 124.137 120.400 0.047 0.000 2.379 360 D HA 0.124 4.765 4.640 0.001 0.000 0.208 360 D C 0.470 176.729 176.300 -0.068 0.000 1.065 360 D CA 0.134 54.142 54.000 0.014 0.000 0.848 360 D CB 0.337 41.176 40.800 0.065 0.000 0.949 360 D HN 0.481 nan 8.370 nan 0.000 0.509 361 I N -0.269 120.245 120.570 -0.093 0.000 2.828 361 I HA 0.416 4.586 4.170 0.001 0.000 0.302 361 I C -1.394 174.652 176.117 -0.118 0.000 1.101 361 I CA -1.292 59.938 61.300 -0.116 0.000 1.031 361 I CB 2.920 40.885 38.000 -0.057 0.000 1.231 361 I HN -0.227 nan 8.210 nan 0.000 0.427 362 F N 3.829 123.573 119.950 -0.343 0.000 2.507 362 F HA 0.453 4.981 4.527 0.001 0.000 0.325 362 F C -0.489 175.188 175.800 -0.206 0.000 1.116 362 F CA -0.635 57.175 58.000 -0.317 0.000 0.930 362 F CB 1.374 40.114 39.000 -0.434 0.000 1.146 362 F HN 0.477 nan 8.300 nan 0.000 0.447 363 H N 7.521 126.163 119.070 -0.713 0.000 2.519 363 H HA 0.347 4.903 4.556 0.001 0.000 0.316 363 H C -0.180 174.668 175.328 -0.800 0.000 1.065 363 H CA -0.208 55.452 56.048 -0.646 0.000 1.264 363 H CB 1.696 31.108 29.762 -0.583 0.000 1.413 363 H HN 0.847 nan 8.280 nan 0.000 0.465 364 M N 3.550 122.967 119.600 -0.305 0.000 2.356 364 M HA 0.148 4.629 4.480 0.001 0.000 0.262 364 M C 1.420 177.854 176.300 0.224 0.000 1.097 364 M CA 0.395 55.641 55.300 -0.090 0.000 0.991 364 M CB 0.811 33.397 32.600 -0.023 0.000 1.450 364 M HN 0.921 nan 8.290 nan 0.000 0.495 365 G N 1.318 110.363 108.800 0.407 0.000 2.950 365 G HA2 -0.311 3.649 3.960 0.001 0.000 0.299 365 G HA3 -0.311 3.649 3.960 0.001 0.000 0.299 365 G C 0.740 175.979 174.900 0.565 0.000 1.310 365 G CA 0.177 45.595 45.100 0.530 0.000 0.994 365 G HN 0.912 nan 8.290 nan 0.000 0.575 366 G N 0.276 109.379 108.800 0.505 0.000 2.198 366 G HA2 0.087 4.048 3.960 0.001 0.000 0.260 366 G HA3 0.087 4.048 3.960 0.001 0.000 0.260 366 G C -0.048 175.222 174.900 0.616 0.000 1.025 366 G CA 1.388 46.852 45.100 0.606 0.000 0.769 366 G HN 2.018 nan 8.290 nan 0.000 0.507 367 D N -0.220 120.438 120.400 0.430 0.000 2.185 367 D HA 0.470 5.111 4.640 0.001 0.000 0.247 367 D C 0.641 177.007 176.300 0.110 0.000 1.027 367 D CA -0.645 53.506 54.000 0.253 0.000 0.861 367 D CB 0.591 41.324 40.800 -0.112 0.000 1.202 367 D HN 0.506 nan 8.370 nan 0.000 0.453 368 E N -0.752 119.497 120.200 0.082 0.000 2.297 368 E HA -0.147 4.203 4.350 0.001 0.000 0.228 368 E C -0.516 175.912 176.600 -0.285 0.000 1.213 368 E CA 0.055 56.413 56.400 -0.069 0.000 0.712 368 E CB -1.534 28.097 29.700 -0.115 0.000 1.202 368 E HN 0.283 nan 8.360 nan 0.000 0.376 369 V N 1.352 120.986 119.914 -0.467 0.000 2.572 369 V HA 0.081 4.201 4.120 0.001 0.000 0.291 369 V C 0.820 176.527 176.094 -0.644 0.000 1.039 369 V CA 0.507 62.290 62.300 -0.861 0.000 1.055 369 V CB 1.623 32.461 31.823 -1.642 0.000 0.969 369 V HN 0.364 nan 8.190 nan 0.000 0.482 370 S N 3.368 118.649 115.700 -0.698 0.000 2.438 370 S HA 0.236 4.707 4.470 0.001 0.000 0.293 370 S C 1.118 175.395 174.600 -0.538 0.000 1.141 370 S CA -0.778 57.127 58.200 -0.493 0.000 1.080 370 S CB 1.048 64.027 63.200 -0.368 0.000 0.978 370 S HN 0.838 nan 8.310 nan 0.000 0.479 371 E N 5.806 125.776 120.200 -0.383 0.000 2.072 371 E HA -0.062 4.288 4.350 0.001 0.000 0.191 371 E C 1.957 178.288 176.600 -0.449 0.000 0.985 371 E CA 1.522 57.648 56.400 -0.456 0.000 0.801 371 E CB -1.335 28.201 29.700 -0.274 0.000 0.750 371 E HN 0.657 nan 8.360 nan 0.000 0.452 372 A N 1.420 124.088 122.820 -0.254 0.000 1.902 372 A HA -0.174 4.146 4.320 0.001 0.000 0.217 372 A C 2.595 180.170 177.584 -0.016 0.000 1.181 372 A CA 1.813 53.771 52.037 -0.132 0.000 0.623 372 A CB -1.263 17.656 19.000 -0.136 0.000 0.818 372 A HN 0.533 nan 8.150 nan 0.000 0.443 373 C N -1.590 117.686 119.300 -0.040 0.000 2.429 373 C HA -0.110 4.350 4.460 0.001 0.000 0.277 373 C C 2.382 177.391 174.990 0.031 0.000 1.262 373 C CA 1.113 60.133 59.018 0.003 0.000 1.733 373 C CB -1.521 26.147 27.740 -0.121 0.000 2.010 373 C HN 0.717 nan 8.230 nan 0.000 0.483 374 W N 1.235 122.403 121.300 -0.220 0.000 2.381 374 W HA 0.014 4.675 4.660 0.000 0.000 0.301 374 W C 2.492 178.959 176.519 -0.087 0.000 1.205 374 W CA 1.505 58.741 57.345 -0.182 0.000 1.285 374 W CB -1.541 27.797 29.460 -0.204 0.000 1.133 374 W HN 0.422 nan 8.180 nan 0.000 0.521 375 N N 0.423 119.115 118.700 -0.013 0.000 2.364 375 N HA -0.150 4.591 4.740 0.001 0.000 0.183 375 N C 1.736 177.330 175.510 0.140 0.000 1.022 375 N CA 1.645 54.779 53.050 0.140 0.000 0.883 375 N CB -0.376 38.164 38.487 0.088 0.000 0.965 375 N HN 0.057 nan 8.380 nan 0.000 0.438 376 S N -2.073 113.696 115.700 0.115 0.000 2.555 376 S HA 0.059 4.529 4.470 0.001 0.000 0.230 376 S C 0.828 175.474 174.600 0.078 0.000 0.978 376 S CA -0.232 58.032 58.200 0.106 0.000 0.934 376 S CB -0.213 63.061 63.200 0.123 0.000 0.766 376 S HN 0.157 nan 8.310 nan 0.000 0.533 377 S N 1.703 117.459 115.700 0.094 0.000 2.457 377 S HA 0.231 4.702 4.470 0.001 0.000 0.289 377 S C 0.899 175.542 174.600 0.072 0.000 1.163 377 S CA -0.662 57.579 58.200 0.068 0.000 1.078 377 S CB 0.707 63.944 63.200 0.061 0.000 0.987 377 S HN 0.459 nan 8.310 nan 0.000 0.482 378 D N 4.168 124.598 120.400 0.050 0.000 2.097 378 D HA -0.169 4.472 4.640 0.001 0.000 0.195 378 D C 2.043 178.367 176.300 0.040 0.000 0.989 378 D CA 1.566 55.593 54.000 0.045 0.000 0.827 378 D CB -0.820 39.998 40.800 0.030 0.000 0.966 378 D HN 0.652 nan 8.370 nan 0.000 0.456 379 S N 1.245 116.962 115.700 0.028 0.000 2.368 379 S HA -0.141 4.330 4.470 0.001 0.000 0.225 379 S C 2.391 177.010 174.600 0.031 0.000 1.030 379 S CA 0.527 58.741 58.200 0.024 0.000 0.999 379 S CB -0.825 62.377 63.200 0.004 0.000 0.844 379 S HN 0.284 nan 8.310 nan 0.000 0.459 380 I N 1.822 122.401 120.570 0.015 0.000 2.202 380 I HA -0.195 3.976 4.170 0.001 0.000 0.242 380 I C 3.024 179.197 176.117 0.092 0.000 1.091 380 I CA 1.500 62.806 61.300 0.010 0.000 1.368 380 I CB -0.533 37.462 38.000 -0.009 0.000 1.058 380 I HN 0.408 nan 8.210 nan 0.000 0.410 381 Q N 0.468 120.332 119.800 0.107 0.000 2.124 381 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 381 Q C 1.956 177.982 176.000 0.043 0.000 0.977 381 Q CA 1.316 57.180 55.803 0.101 0.000 0.850 381 Q CB -0.238 28.564 28.738 0.107 0.000 0.901 381 Q HN 0.469 nan 8.270 nan 0.000 0.429 382 N N 0.443 119.167 118.700 0.039 0.000 2.166 382 N HA -0.147 4.593 4.740 0.001 0.000 0.186 382 N C 1.336 176.831 175.510 -0.025 0.000 1.019 382 N CA 0.919 53.972 53.050 0.005 0.000 0.856 382 N CB -0.318 38.179 38.487 0.016 0.000 0.993 382 N HN 0.206 nan 8.380 nan 0.000 0.426 383 F N 1.014 120.872 119.950 -0.153 0.000 2.146 383 F HA -0.029 4.499 4.527 0.001 0.000 0.298 383 F C 2.188 177.755 175.800 -0.389 0.000 1.096 383 F CA 1.168 59.022 58.000 -0.243 0.000 1.275 383 F CB -0.129 38.731 39.000 -0.232 0.000 1.008 383 F HN -0.053 nan 8.300 nan 0.000 0.480 384 M N 0.096 119.602 119.600 -0.157 0.000 2.175 384 M HA -0.205 4.276 4.480 0.001 0.000 0.264 384 M C 2.399 178.473 176.300 -0.376 0.000 1.063 384 M CA 2.043 57.124 55.300 -0.365 0.000 1.119 384 M CB -0.504 32.037 32.600 -0.098 0.000 1.377 384 M HN 0.426 nan 8.290 nan 0.000 0.415 385 M N 0.054 119.522 119.600 -0.220 0.000 2.117 385 M HA -0.232 4.249 4.480 0.001 0.000 0.262 385 M C 1.634 177.786 176.300 -0.247 0.000 1.065 385 M CA 1.785 56.983 55.300 -0.171 0.000 1.114 385 M CB -0.697 31.845 32.600 -0.096 0.000 1.361 385 M HN 0.214 nan 8.290 nan 0.000 0.408 386 Q N 0.582 120.185 119.800 -0.328 0.000 2.437 386 Q HA -0.046 4.295 4.340 0.001 0.000 0.210 386 Q C 0.528 176.244 176.000 -0.473 0.000 0.972 386 Q CA 0.905 56.492 55.803 -0.360 0.000 0.903 386 Q CB -0.242 28.274 28.738 -0.371 0.000 0.967 386 Q HN 0.678 nan 8.270 nan 0.000 0.486 387 N N 0.318 118.605 118.700 -0.689 0.000 2.236 387 N HA 0.041 4.781 4.740 0.001 0.000 0.196 387 N C 0.120 175.341 175.510 -0.481 0.000 1.114 387 N CA 0.417 52.990 53.050 -0.796 0.000 0.859 387 N CB 0.506 38.099 38.487 -1.490 0.000 0.982 387 N HN 0.308 nan 8.380 nan 0.000 0.493 388 R N -2.257 118.070 120.500 -0.289 0.000 3.728 388 R HA -0.121 4.220 4.340 0.001 0.000 0.478 388 R C -1.098 175.280 176.300 0.130 0.000 0.932 388 R CA 0.646 56.719 56.100 -0.044 0.000 1.317 388 R CB -2.441 27.870 30.300 0.019 0.000 1.987 388 R HN -0.018 nan 8.270 nan 0.000 0.509 389 W N 2.417 123.658 121.300 -0.098 0.000 2.202 389 W HA 0.492 5.153 4.660 0.001 0.000 0.332 389 W C 0.931 177.387 176.519 -0.105 0.000 1.263 389 W CA -1.004 56.281 57.345 -0.099 0.000 1.223 389 W CB 0.017 29.401 29.460 -0.127 0.000 1.128 389 W HN -0.000 nan 8.180 nan 0.000 0.573 390 D N 0.667 121.149 120.400 0.137 0.000 2.425 390 D HA 0.281 4.921 4.640 0.001 0.000 0.274 390 D C 0.793 177.094 176.300 0.002 0.000 1.242 390 D CA -0.210 53.824 54.000 0.057 0.000 1.060 390 D CB 0.868 41.697 40.800 0.048 0.000 1.112 390 D HN 0.202 nan 8.370 nan 0.000 0.561 391 L N 0.431 121.670 121.223 0.026 0.000 3.014 391 L HA 0.143 4.484 4.340 0.001 0.000 0.263 391 L C 0.587 177.575 176.870 0.197 0.000 1.207 391 L CA -0.401 54.476 54.840 0.062 0.000 1.017 391 L CB 0.043 42.196 42.059 0.156 0.000 1.360 391 L HN 0.266 nan 8.230 nan 0.000 0.560 392 D N -0.400 120.076 120.400 0.127 0.000 2.423 392 D HA 0.057 4.698 4.640 0.001 0.000 0.255 392 D C 0.541 176.992 176.300 0.250 0.000 1.174 392 D CA -0.532 53.573 54.000 0.174 0.000 1.008 392 D CB 1.607 42.469 40.800 0.103 0.000 1.101 392 D HN -0.121 nan 8.370 nan 0.000 0.516 393 K N -0.462 120.083 120.400 0.242 0.000 2.152 393 K HA -0.185 4.136 4.320 0.001 0.000 0.206 393 K C 1.760 178.488 176.600 0.213 0.000 1.048 393 K CA 1.332 57.783 56.287 0.274 0.000 0.933 393 K CB 0.002 32.607 32.500 0.175 0.000 0.721 393 K HN 0.390 nan 8.250 nan 0.000 0.447 394 E N -0.040 120.231 120.200 0.118 0.000 2.347 394 E HA -0.095 4.256 4.350 0.001 0.000 0.196 394 E C 1.652 178.245 176.600 -0.010 0.000 1.008 394 E CA 1.006 57.437 56.400 0.051 0.000 0.852 394 E CB 0.213 29.928 29.700 0.026 0.000 0.783 394 E HN 0.282 nan 8.360 nan 0.000 0.505 395 S N -0.328 115.363 115.700 -0.016 0.000 2.368 395 S HA -0.147 4.324 4.470 0.001 0.000 0.224 395 S C 1.712 176.204 174.600 -0.180 0.000 1.029 395 S CA 0.798 58.907 58.200 -0.151 0.000 0.988 395 S CB -0.558 62.518 63.200 -0.207 0.000 0.838 395 S HN 0.208 nan 8.310 nan 0.000 0.462 396 F N 1.376 121.417 119.950 0.152 0.000 2.234 396 F HA 0.128 4.655 4.527 -0.000 0.000 0.299 396 F C 2.002 177.963 175.800 0.270 0.000 1.087 396 F CA 0.192 58.348 58.000 0.260 0.000 1.340 396 F CB -0.691 38.496 39.000 0.312 0.000 1.031 396 F HN 0.142 nan 8.300 nan 0.000 0.500 397 L N -0.101 121.270 121.223 0.246 0.000 2.131 397 L HA -0.184 4.157 4.340 0.001 0.000 0.210 397 L C 2.367 179.181 176.870 -0.094 0.000 1.092 397 L CA 1.558 56.429 54.840 0.052 0.000 0.759 397 L CB -0.746 41.208 42.059 -0.174 0.000 0.903 397 L HN -0.101 nan 8.230 nan 0.000 0.435 398 K N -0.822 119.455 120.400 -0.204 0.000 2.057 398 K HA -0.122 4.199 4.320 0.001 0.000 0.207 398 K C 2.071 178.558 176.600 -0.188 0.000 1.049 398 K CA 1.137 57.153 56.287 -0.451 0.000 0.931 398 K CB -0.660 31.080 32.500 -1.267 0.000 0.714 398 K HN 0.162 nan 8.250 nan 0.000 0.440 399 L N 0.187 121.454 121.223 0.073 0.000 2.046 399 L HA -0.147 4.193 4.340 0.001 0.000 0.208 399 L C 2.093 179.235 176.870 0.453 0.000 1.077 399 L CA 1.572 56.623 54.840 0.353 0.000 0.747 399 L CB -0.659 41.551 42.059 0.251 0.000 0.896 399 L HN 0.306 nan 8.230 nan 0.000 0.432 400 W N 0.689 122.179 121.300 0.317 0.000 2.358 400 W HA -0.237 4.423 4.660 0.000 0.000 0.303 400 W C 2.520 179.217 176.519 0.296 0.000 1.208 400 W CA 1.826 59.418 57.345 0.412 0.000 1.274 400 W CB -0.899 28.750 29.460 0.315 0.000 1.138 400 W HN 0.441 nan 8.180 nan 0.000 0.515 401 N N -0.894 117.968 118.700 0.271 0.000 2.166 401 N HA -0.276 4.465 4.740 0.001 0.000 0.186 401 N C 1.979 177.650 175.510 0.267 0.000 1.019 401 N CA 1.526 54.653 53.050 0.128 0.000 0.856 401 N CB -0.786 37.700 38.487 -0.002 0.000 0.993 401 N HN 0.212 nan 8.380 nan 0.000 0.426 402 Y N 0.848 121.284 120.300 0.226 0.000 2.165 402 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 402 Y C 2.184 178.223 175.900 0.232 0.000 1.155 402 Y CA 1.790 60.030 58.100 0.234 0.000 1.164 402 Y CB -0.785 37.877 38.460 0.337 0.000 0.978 402 Y HN 0.100 nan 8.280 nan 0.000 0.513 403 F N 1.075 121.217 119.950 0.320 0.000 2.102 403 F HA -0.204 4.324 4.527 0.001 0.000 0.298 403 F C 2.485 178.454 175.800 0.281 0.000 1.105 403 F CA 2.159 60.345 58.000 0.309 0.000 1.239 403 F CB -0.716 38.539 39.000 0.425 0.000 0.991 403 F HN 0.181 nan 8.300 nan 0.000 0.474 404 Q N 0.371 120.337 119.800 0.276 0.000 2.124 404 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 404 Q C 2.125 178.118 176.000 -0.012 0.000 0.977 404 Q CA 1.785 57.676 55.803 0.146 0.000 0.850 404 Q CB -0.454 28.461 28.738 0.296 0.000 0.901 404 Q HN 0.445 nan 8.270 nan 0.000 0.429 405 Q N 0.326 120.116 119.800 -0.018 0.000 2.050 405 Q HA -0.135 4.206 4.340 0.001 0.000 0.202 405 Q C 1.950 177.860 176.000 -0.149 0.000 0.980 405 Q CA 1.682 57.459 55.803 -0.044 0.000 0.840 405 Q CB -0.142 28.585 28.738 -0.019 0.000 0.898 405 Q HN 0.496 nan 8.270 nan 0.000 0.424 406 K N 0.421 120.637 120.400 -0.307 0.000 2.057 406 K HA -0.040 4.281 4.320 0.001 0.000 0.206 406 K C 2.140 178.617 176.600 -0.205 0.000 1.050 406 K CA 1.101 57.149 56.287 -0.398 0.000 0.935 406 K CB -0.191 31.769 32.500 -0.901 0.000 0.715 406 K HN 0.114 nan 8.250 nan 0.000 0.439 407 A N 1.842 124.533 122.820 -0.215 0.000 1.902 407 A HA -0.270 4.051 4.320 0.001 0.000 0.217 407 A C 2.232 179.854 177.584 0.062 0.000 1.181 407 A CA 1.682 53.710 52.037 -0.015 0.000 0.623 407 A CB -0.626 18.249 19.000 -0.209 0.000 0.818 407 A HN 0.413 nan 8.150 nan 0.000 0.443 408 Q N -0.269 119.484 119.800 -0.079 0.000 2.096 408 Q HA -0.288 4.053 4.340 0.001 0.000 0.204 408 Q C 1.771 177.521 176.000 -0.418 0.000 0.982 408 Q CA 2.237 57.885 55.803 -0.257 0.000 0.850 408 Q CB -0.324 28.304 28.738 -0.184 0.000 0.901 408 Q HN 0.721 nan 8.270 nan 0.000 0.422 409 D N -0.269 120.021 120.400 -0.183 0.000 2.117 409 D HA -0.192 4.449 4.640 0.001 0.000 0.197 409 D C 1.668 177.984 176.300 0.027 0.000 0.987 409 D CA 1.286 55.251 54.000 -0.058 0.000 0.829 409 D CB 0.170 40.961 40.800 -0.014 0.000 0.961 409 D HN 0.049 nan 8.370 nan 0.000 0.460 410 K N 0.471 120.922 120.400 0.085 0.000 2.097 410 K HA 0.000 4.321 4.320 0.001 0.000 0.206 410 K C 2.100 178.854 176.600 0.256 0.000 1.049 410 K CA 1.128 57.536 56.287 0.201 0.000 0.933 410 K CB -0.922 31.746 32.500 0.280 0.000 0.717 410 K HN 0.271 nan 8.250 nan 0.000 0.442 411 A N 0.570 123.486 122.820 0.160 0.000 1.902 411 A HA -0.181 4.139 4.320 0.001 0.000 0.217 411 A C 2.008 179.702 177.584 0.183 0.000 1.181 411 A CA 1.326 53.371 52.037 0.014 0.000 0.623 411 A CB -0.735 18.164 19.000 -0.169 0.000 0.818 411 A HN 0.211 nan 8.150 nan 0.000 0.443 412 Y N 0.057 120.423 120.300 0.110 0.000 2.181 412 Y HA -0.160 4.390 4.550 0.001 0.000 0.288 412 Y C 2.344 178.301 175.900 0.096 0.000 1.146 412 Y CA 1.199 59.353 58.100 0.090 0.000 1.164 412 Y CB -0.741 37.751 38.460 0.052 0.000 0.982 412 Y HN 0.366 nan 8.280 nan 0.000 0.515 413 K N 0.109 120.654 120.400 0.241 0.000 2.057 413 K HA -0.147 4.174 4.320 0.001 0.000 0.207 413 K C 2.290 178.949 176.600 0.099 0.000 1.049 413 K CA 1.129 57.505 56.287 0.148 0.000 0.931 413 K CB -0.201 32.369 32.500 0.117 0.000 0.714 413 K HN 0.221 nan 8.250 nan 0.000 0.440 414 A N 0.366 123.234 122.820 0.079 0.000 1.877 414 A HA -0.119 4.201 4.320 0.001 0.000 0.216 414 A C 1.746 179.223 177.584 -0.178 0.000 1.186 414 A CA 1.293 53.284 52.037 -0.076 0.000 0.620 414 A CB -0.643 18.262 19.000 -0.159 0.000 0.822 414 A HN 0.359 nan 8.150 nan 0.000 0.443 415 F N -0.654 119.287 119.950 -0.015 0.000 2.789 415 F HA 0.313 4.840 4.527 0.001 0.000 0.300 415 F C 1.886 177.696 175.800 0.016 0.000 1.132 415 F CA 0.676 58.666 58.000 -0.016 0.000 1.404 415 F CB 0.002 38.975 39.000 -0.045 0.000 1.114 415 F HN 0.379 nan 8.300 nan 0.000 0.584 416 G N 1.358 110.254 108.800 0.159 0.000 2.153 416 G HA2 -0.316 3.645 3.960 0.001 0.000 0.252 416 G HA3 -0.316 3.645 3.960 0.001 0.000 0.252 416 G C 0.131 175.082 174.900 0.086 0.000 0.994 416 G CA 0.692 45.854 45.100 0.102 0.000 0.698 416 G HN 0.549 nan 8.290 nan 0.000 0.521 417 K N -1.933 118.526 120.400 0.099 0.000 2.658 417 K HA 0.585 4.906 4.320 0.001 0.000 0.293 417 K C -0.991 175.568 176.600 -0.068 0.000 1.026 417 K CA -1.158 55.135 56.287 0.010 0.000 0.871 417 K CB 0.924 33.432 32.500 0.013 0.000 1.524 417 K HN 0.139 nan 8.250 nan 0.000 0.400 418 K N 2.569 122.808 120.400 -0.269 0.000 2.276 418 K HA 0.351 4.672 4.320 0.001 0.000 0.285 418 K C -0.547 175.893 176.600 -0.267 0.000 1.062 418 K CA -0.690 55.232 56.287 -0.609 0.000 0.918 418 K CB 0.387 32.464 32.500 -0.705 0.000 1.055 418 K HN 0.615 nan 8.250 nan 0.000 0.477 419 L N 1.920 123.069 121.223 -0.123 0.000 2.350 419 L HA 0.764 5.105 4.340 0.001 0.000 0.260 419 L C -2.735 174.098 176.870 -0.061 0.000 1.015 419 L CA -2.771 52.015 54.840 -0.089 0.000 0.821 419 L CB 1.857 43.839 42.059 -0.129 0.000 1.370 419 L HN 0.418 nan 8.230 nan 0.000 0.416 420 P HA 0.301 nan 4.420 nan 0.000 0.268 420 P C -1.062 176.146 177.300 -0.153 0.000 1.204 420 P CA 0.201 63.233 63.100 -0.113 0.000 0.768 420 P CB 0.712 32.360 31.700 -0.087 0.000 0.842 421 L N 3.245 124.316 121.223 -0.253 0.000 2.334 421 L HA 0.573 4.914 4.340 0.001 0.000 0.273 421 L C 0.237 176.949 176.870 -0.263 0.000 1.013 421 L CA -0.899 53.764 54.840 -0.296 0.000 0.816 421 L CB 1.415 43.200 42.059 -0.457 0.000 1.278 421 L HN 0.210 nan 8.230 nan 0.000 0.431 422 I N 2.810 123.172 120.570 -0.346 0.000 2.474 422 I HA 0.473 4.643 4.170 0.001 0.000 0.294 422 I C -0.990 174.793 176.117 -0.557 0.000 1.005 422 I CA -0.672 60.328 61.300 -0.500 0.000 1.113 422 I CB 2.032 39.502 38.000 -0.884 0.000 1.289 422 I HN 0.247 nan 8.210 nan 0.000 0.436 423 L N 4.666 125.697 121.223 -0.320 0.000 2.388 423 L HA 0.495 4.836 4.340 0.001 0.000 0.264 423 L C -0.874 175.950 176.870 -0.076 0.000 0.998 423 L CA -0.422 54.343 54.840 -0.126 0.000 0.817 423 L CB 1.774 43.876 42.059 0.072 0.000 1.338 423 L HN 0.444 nan 8.230 nan 0.000 0.414 424 W N 0.551 121.968 121.300 0.195 0.000 2.126 424 W HA 0.387 5.047 4.660 0.001 0.000 0.346 424 W C 0.637 177.328 176.519 0.286 0.000 1.279 424 W CA -0.220 57.306 57.345 0.302 0.000 1.259 424 W CB 0.451 30.118 29.460 0.345 0.000 1.133 424 W HN 0.550 nan 8.180 nan 0.000 0.592 425 T N 0.151 115.105 114.554 0.666 0.000 2.928 425 T HA 0.429 4.779 4.350 0.001 0.000 0.305 425 T C 0.164 175.159 174.700 0.492 0.000 1.035 425 T CA -0.227 62.111 62.100 0.397 0.000 1.145 425 T CB 0.750 69.735 68.868 0.194 0.000 0.963 425 T HN 0.554 nan 8.240 nan 0.000 0.545 426 S N 0.982 116.859 115.700 0.296 0.000 2.724 426 S HA 0.386 4.857 4.470 0.001 0.000 0.278 426 S C 0.982 175.691 174.600 0.182 0.000 1.190 426 S CA -0.468 57.919 58.200 0.311 0.000 0.860 426 S CB 0.625 64.081 63.200 0.427 0.000 1.206 426 S HN 0.502 nan 8.310 nan 0.000 0.507 427 T N 1.336 116.027 114.554 0.229 0.000 2.788 427 T HA -0.000 4.350 4.350 0.001 0.000 0.268 427 T C 1.654 176.441 174.700 0.146 0.000 1.044 427 T CA 1.371 63.588 62.100 0.196 0.000 1.139 427 T CB -0.542 68.490 68.868 0.274 0.000 0.867 427 T HN 0.456 nan 8.240 nan 0.000 0.454 428 L N 1.555 122.680 121.223 -0.164 0.000 2.083 428 L HA -0.090 4.250 4.340 0.001 0.000 0.209 428 L C 2.463 179.297 176.870 -0.060 0.000 1.083 428 L CA 1.880 56.462 54.840 -0.429 0.000 0.752 428 L CB -0.792 40.515 42.059 -1.252 0.000 0.899 428 L HN 0.448 nan 8.230 nan 0.000 0.433 429 T N -3.170 111.344 114.554 -0.067 0.000 3.169 429 T HA -0.011 4.339 4.350 0.001 0.000 0.250 429 T C 0.881 175.536 174.700 -0.074 0.000 1.111 429 T CA -0.492 61.565 62.100 -0.071 0.000 1.010 429 T CB -0.638 68.188 68.868 -0.070 0.000 0.984 429 T HN 0.178 nan 8.240 nan 0.000 0.537 430 N N 1.932 120.578 118.700 -0.090 0.000 2.412 430 N HA -0.090 4.651 4.740 0.001 0.000 0.258 430 N C 1.009 176.341 175.510 -0.296 0.000 1.236 430 N CA -0.183 52.728 53.050 -0.233 0.000 0.882 430 N CB 0.441 38.652 38.487 -0.460 0.000 1.066 430 N HN 0.594 nan 8.380 nan 0.000 0.465 431 Y N 3.502 123.675 120.300 -0.212 0.000 2.333 431 Y HA -0.053 4.498 4.550 0.001 0.000 0.290 431 Y C 1.679 177.494 175.900 -0.141 0.000 1.144 431 Y CA 1.115 59.120 58.100 -0.159 0.000 1.228 431 Y CB -0.137 38.259 38.460 -0.106 0.000 0.985 431 Y HN 0.470 nan 8.280 nan 0.000 0.542 432 K N 0.274 120.143 120.400 -0.886 0.000 2.057 432 K HA -0.173 4.148 4.320 0.001 0.000 0.207 432 K C 1.454 177.883 176.600 -0.285 0.000 1.049 432 K CA 1.813 57.732 56.287 -0.614 0.000 0.931 432 K CB -0.424 31.702 32.500 -0.623 0.000 0.714 432 K HN 0.803 nan 8.250 nan 0.000 0.440 433 H N -1.588 117.383 119.070 -0.166 0.000 2.674 433 H HA 0.247 4.803 4.556 0.000 0.000 0.274 433 H C 1.669 176.874 175.328 -0.204 0.000 1.121 433 H CA -0.290 55.663 56.048 -0.158 0.000 1.132 433 H CB 0.088 29.797 29.762 -0.088 0.000 1.606 433 H HN 0.066 nan 8.280 nan 0.000 0.558 434 I N 1.741 122.338 120.570 0.045 0.000 2.286 434 I HA -0.259 3.912 4.170 0.001 0.000 0.248 434 I C 1.283 177.396 176.117 -0.005 0.000 1.115 434 I CA 1.418 62.749 61.300 0.053 0.000 1.392 434 I CB 0.025 37.960 38.000 -0.109 0.000 1.065 434 I HN 0.190 nan 8.210 nan 0.000 0.418 435 D N 0.927 121.334 120.400 0.012 0.000 2.310 435 D HA -0.166 4.474 4.640 0.001 0.000 0.212 435 D C 1.522 177.736 176.300 -0.143 0.000 0.965 435 D CA 0.906 54.913 54.000 0.012 0.000 0.879 435 D CB -0.265 40.556 40.800 0.035 0.000 0.921 435 D HN 0.458 nan 8.370 nan 0.000 0.510 436 D N -0.206 119.971 120.400 -0.371 0.000 2.178 436 D HA -0.138 4.502 4.640 0.001 0.000 0.201 436 D C 1.532 177.465 176.300 -0.612 0.000 0.980 436 D CA 0.960 54.602 54.000 -0.596 0.000 0.842 436 D CB -0.092 40.159 40.800 -0.916 0.000 0.948 436 D HN 0.412 nan 8.370 nan 0.000 0.472 437 Y N -0.707 119.562 120.300 -0.051 0.000 2.559 437 Y HA 0.238 4.788 4.550 0.000 0.000 0.279 437 Y C 0.846 176.686 175.900 -0.100 0.000 1.117 437 Y CA -0.235 57.806 58.100 -0.098 0.000 1.263 437 Y CB 0.172 38.522 38.460 -0.184 0.000 1.230 437 Y HN -0.187 nan 8.280 nan 0.000 0.528 438 L N 0.514 121.759 121.223 0.036 0.000 2.230 438 L HA 0.390 4.730 4.340 0.001 0.000 0.255 438 L C -0.353 176.617 176.870 0.168 0.000 1.039 438 L CA -1.512 53.332 54.840 0.007 0.000 0.846 438 L CB 1.019 42.967 42.059 -0.184 0.000 1.419 438 L HN 0.222 nan 8.230 nan 0.000 0.435 439 N N -0.911 117.953 118.700 0.273 0.000 2.262 439 N HA 0.220 4.961 4.740 0.001 0.000 0.295 439 N C -0.120 175.500 175.510 0.182 0.000 1.161 439 N CA -0.565 52.599 53.050 0.190 0.000 0.767 439 N CB 2.338 40.891 38.487 0.110 0.000 1.499 439 N HN 0.512 nan 8.380 nan 0.000 0.476 440 K N 0.668 120.929 120.400 -0.231 0.000 2.283 440 K HA -0.027 4.294 4.320 0.001 0.000 0.202 440 K C 0.405 176.941 176.600 -0.107 0.000 1.048 440 K CA 1.526 57.544 56.287 -0.449 0.000 0.948 440 K CB -0.041 31.894 32.500 -0.942 0.000 0.742 440 K HN 0.473 nan 8.250 nan 0.000 0.458 441 D N 0.797 121.168 120.400 -0.049 0.000 2.123 441 D HA -0.093 4.548 4.640 0.001 0.000 0.200 441 D C 1.050 177.355 176.300 0.009 0.000 0.976 441 D CA 1.291 55.280 54.000 -0.018 0.000 0.831 441 D CB -0.002 40.785 40.800 -0.023 0.000 0.974 441 D HN 0.271 nan 8.370 nan 0.000 0.469 442 D N -1.194 119.244 120.400 0.065 0.000 2.271 442 D HA -0.017 4.624 4.640 0.001 0.000 0.206 442 D C -0.231 175.965 176.300 -0.173 0.000 0.967 442 D CA 0.622 54.614 54.000 -0.012 0.000 0.867 442 D CB 0.245 41.085 40.800 0.067 0.000 0.960 442 D HN 0.281 nan 8.370 nan 0.000 0.509 443 Y N 0.030 120.382 120.300 0.086 0.000 2.350 443 Y HA 0.423 4.974 4.550 0.002 0.000 0.338 443 Y C 0.141 176.089 175.900 0.080 0.000 0.961 443 Y CA -0.793 57.351 58.100 0.074 0.000 1.100 443 Y CB 1.750 40.274 38.460 0.106 0.000 1.179 443 Y HN -0.330 nan 8.280 nan 0.000 0.454 444 I N 4.972 125.603 120.570 0.102 0.000 2.396 444 I HA 0.298 4.469 4.170 0.001 0.000 0.292 444 I C -0.592 175.511 176.117 -0.023 0.000 0.999 444 I CA -0.609 60.703 61.300 0.020 0.000 1.310 444 I CB 0.887 38.826 38.000 -0.101 0.000 1.404 444 I HN 0.386 nan 8.210 nan 0.000 0.496 445 I N 5.526 126.085 120.570 -0.018 0.000 2.354 445 I HA 0.285 4.456 4.170 0.001 0.000 0.292 445 I C -0.145 175.931 176.117 -0.068 0.000 0.989 445 I CA -0.512 60.761 61.300 -0.045 0.000 1.188 445 I CB 1.359 39.339 38.000 -0.034 0.000 1.342 445 I HN 0.657 nan 8.210 nan 0.000 0.457 446 Q N 5.179 124.926 119.800 -0.088 0.000 2.331 446 Q HA 0.442 4.782 4.340 0.001 0.000 0.257 446 Q C -1.370 174.807 176.000 0.295 0.000 0.957 446 Q CA -0.457 55.308 55.803 -0.062 0.000 0.923 446 Q CB 1.530 29.988 28.738 -0.468 0.000 1.212 446 Q HN 0.532 nan 8.270 nan 0.000 0.443 447 V N 6.679 126.763 119.914 0.284 0.000 2.385 447 V HA 0.168 4.289 4.120 0.001 0.000 0.269 447 V C 0.266 176.676 176.094 0.527 0.000 1.043 447 V CA -0.330 62.168 62.300 0.330 0.000 0.906 447 V CB 0.462 32.371 31.823 0.143 0.000 0.995 447 V HN 0.953 nan 8.190 nan 0.000 0.467 448 W N 4.142 125.695 121.300 0.422 0.000 3.005 448 W HA 0.250 4.911 4.660 0.001 0.000 0.374 448 W C 0.444 177.126 176.519 0.272 0.000 1.076 448 W CA 0.110 57.682 57.345 0.378 0.000 1.794 448 W CB -1.014 28.677 29.460 0.384 0.000 1.113 448 W HN 0.576 nan 8.180 nan 0.000 0.584 449 T N 0.490 114.941 114.554 -0.172 0.000 2.732 449 T HA 0.309 4.660 4.350 0.001 0.000 0.287 449 T C 0.975 175.656 174.700 -0.032 0.000 0.993 449 T CA 0.393 62.391 62.100 -0.170 0.000 0.966 449 T CB 1.034 69.785 68.868 -0.195 0.000 1.047 449 T HN 0.130 nan 8.240 nan 0.000 0.527 450 T N -2.229 112.275 114.554 -0.083 0.000 2.802 450 T HA 0.379 4.730 4.350 0.001 0.000 0.305 450 T C 1.534 176.170 174.700 -0.106 0.000 1.053 450 T CA -0.305 61.677 62.100 -0.197 0.000 1.058 450 T CB 0.316 69.071 68.868 -0.189 0.000 0.988 450 T HN 0.883 nan 8.240 nan 0.000 0.539 451 G N -0.384 108.357 108.800 -0.099 0.000 2.920 451 G HA2 0.183 4.144 3.960 0.001 0.000 0.208 451 G HA3 0.183 4.144 3.960 0.001 0.000 0.208 451 G C 0.844 175.719 174.900 -0.043 0.000 1.159 451 G CA -0.078 44.990 45.100 -0.052 0.000 0.784 451 G HN 0.639 nan 8.290 nan 0.000 0.535 452 V N 0.133 120.016 119.914 -0.052 0.000 3.477 452 V HA 0.132 4.253 4.120 0.001 0.000 0.297 452 V C 0.380 176.451 176.094 -0.038 0.000 1.433 452 V CA -0.383 61.894 62.300 -0.039 0.000 1.052 452 V CB 0.523 32.323 31.823 -0.039 0.000 0.895 452 V HN 0.293 nan 8.190 nan 0.000 0.438 453 D N 0.950 121.324 120.400 -0.045 0.000 2.414 453 D HA 0.076 4.716 4.640 0.001 0.000 0.242 453 D C -1.584 174.691 176.300 -0.042 0.000 1.129 453 D CA -1.280 52.696 54.000 -0.040 0.000 0.885 453 D CB 2.152 42.920 40.800 -0.052 0.000 1.198 453 D HN 0.074 nan 8.370 nan 0.000 0.437 454 P HA -0.096 nan 4.420 nan 0.000 0.220 454 P C 1.199 178.450 177.300 -0.082 0.000 1.148 454 P CA 0.772 63.848 63.100 -0.040 0.000 0.803 454 P CB 0.311 32.018 31.700 0.013 0.000 0.782 455 Q N -0.678 119.107 119.800 -0.026 0.000 2.181 455 Q HA -0.128 4.213 4.340 0.001 0.000 0.205 455 Q C 2.139 178.069 176.000 -0.116 0.000 0.980 455 Q CA 1.214 57.011 55.803 -0.010 0.000 0.862 455 Q CB -0.799 27.952 28.738 0.022 0.000 0.905 455 Q HN 0.375 nan 8.270 nan 0.000 0.429 456 I N 0.479 120.989 120.570 -0.100 0.000 2.142 456 I HA -0.292 3.879 4.170 0.001 0.000 0.240 456 I C 2.528 178.555 176.117 -0.149 0.000 1.078 456 I CA 1.339 62.581 61.300 -0.097 0.000 1.343 456 I CB -0.288 37.678 38.000 -0.057 0.000 1.046 456 I HN 0.126 nan 8.210 nan 0.000 0.405 457 K N 1.126 121.422 120.400 -0.172 0.000 2.057 457 K HA -0.132 4.188 4.320 0.001 0.000 0.207 457 K C 2.152 178.551 176.600 -0.336 0.000 1.049 457 K CA 1.565 57.736 56.287 -0.193 0.000 0.931 457 K CB -0.415 32.008 32.500 -0.128 0.000 0.714 457 K HN 0.357 nan 8.250 nan 0.000 0.440 458 G N 1.300 109.749 108.800 -0.585 0.000 2.418 458 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 458 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 458 G C 1.473 176.042 174.900 -0.551 0.000 1.158 458 G CA 0.769 45.230 45.100 -1.065 0.000 0.771 458 G HN 0.224 nan 8.290 nan 0.000 0.545 459 L N -0.226 120.806 121.223 -0.317 0.000 2.056 459 L HA 0.020 4.361 4.340 0.001 0.000 0.207 459 L C 2.915 179.768 176.870 -0.029 0.000 1.078 459 L CA 0.565 55.367 54.840 -0.063 0.000 0.749 459 L CB -0.325 41.698 42.059 -0.060 0.000 0.901 459 L HN 0.187 nan 8.230 nan 0.000 0.433 460 L N -0.589 120.531 121.223 -0.172 0.000 2.083 460 L HA -0.217 4.123 4.340 0.001 0.000 0.209 460 L C 2.470 179.041 176.870 -0.498 0.000 1.083 460 L CA 1.266 55.926 54.840 -0.298 0.000 0.752 460 L CB -0.426 41.421 42.059 -0.354 0.000 0.899 460 L HN 0.289 nan 8.230 nan 0.000 0.433 461 E N 0.141 120.081 120.200 -0.433 0.000 2.153 461 E HA -0.209 4.142 4.350 0.001 0.000 0.194 461 E C 1.672 178.210 176.600 -0.104 0.000 0.988 461 E CA 0.946 57.181 56.400 -0.276 0.000 0.811 461 E CB 0.083 29.691 29.700 -0.153 0.000 0.746 461 E HN 0.393 nan 8.360 nan 0.000 0.466 462 K N -0.625 119.757 120.400 -0.030 0.000 2.505 462 K HA 0.060 4.381 4.320 0.001 0.000 0.192 462 K C 0.876 177.448 176.600 -0.046 0.000 1.025 462 K CA 0.444 56.761 56.287 0.050 0.000 1.086 462 K CB 0.632 33.264 32.500 0.220 0.000 0.840 462 K HN 0.243 nan 8.250 nan 0.000 0.514 463 G N 0.764 109.515 108.800 -0.081 0.000 2.176 463 G HA2 -0.297 3.664 3.960 0.001 0.000 0.253 463 G HA3 -0.297 3.664 3.960 0.001 0.000 0.253 463 G C -0.201 174.604 174.900 -0.158 0.000 0.979 463 G CA -0.262 44.760 45.100 -0.130 0.000 0.641 463 G HN 0.300 nan 8.290 nan 0.000 0.530 464 Y N 1.209 121.487 120.300 -0.037 0.000 2.511 464 Y HA 0.465 5.016 4.550 0.001 0.000 0.332 464 Y C 1.468 177.353 175.900 -0.024 0.000 1.177 464 Y CA -0.068 58.020 58.100 -0.019 0.000 1.422 464 Y CB 0.508 38.961 38.460 -0.012 0.000 1.271 464 Y HN 0.215 nan 8.280 nan 0.000 0.550 465 R N 3.318 123.894 120.500 0.127 0.000 2.490 465 R HA 0.583 4.924 4.340 0.001 0.000 0.278 465 R C -1.075 175.251 176.300 0.044 0.000 1.069 465 R CA -0.360 55.777 56.100 0.062 0.000 1.080 465 R CB 0.504 30.822 30.300 0.030 0.000 1.030 465 R HN 0.561 nan 8.270 nan 0.000 0.491 466 L N 2.742 123.967 121.223 0.003 0.000 2.354 466 L HA 0.599 4.939 4.340 0.001 0.000 0.264 466 L C -0.568 176.240 176.870 -0.103 0.000 1.008 466 L CA -0.956 53.863 54.840 -0.034 0.000 0.819 466 L CB 1.902 43.955 42.059 -0.011 0.000 1.339 466 L HN 0.467 nan 8.230 nan 0.000 0.420 467 I N 2.367 122.849 120.570 -0.146 0.000 2.389 467 I HA 0.322 4.492 4.170 0.001 0.000 0.288 467 I C -0.445 175.627 176.117 -0.074 0.000 0.999 467 I CA -0.495 60.679 61.300 -0.210 0.000 1.129 467 I CB 1.826 39.574 38.000 -0.420 0.000 1.288 467 I HN 0.389 nan 8.210 nan 0.000 0.444 468 M N 4.861 124.430 119.600 -0.051 0.000 2.105 468 M HA 0.229 4.710 4.480 0.001 0.000 0.350 468 M C 0.127 176.493 176.300 0.110 0.000 1.308 468 M CA 0.261 55.579 55.300 0.030 0.000 1.108 468 M CB 0.609 33.199 32.600 -0.016 0.000 1.622 468 M HN 0.427 nan 8.290 nan 0.000 0.468 469 S N 2.870 118.715 115.700 0.242 0.000 2.740 469 S HA 0.130 4.601 4.470 0.001 0.000 0.244 469 S C 0.097 174.965 174.600 0.446 0.000 1.101 469 S CA -0.885 57.544 58.200 0.382 0.000 1.123 469 S CB -0.086 63.459 63.200 0.575 0.000 1.012 469 S HN 0.726 nan 8.310 nan 0.000 0.491 470 N N 1.909 120.759 118.700 0.250 0.000 2.454 470 N HA -0.075 4.666 4.740 0.001 0.000 0.260 470 N C 0.906 176.474 175.510 0.097 0.000 1.218 470 N CA -0.177 52.964 53.050 0.152 0.000 0.904 470 N CB 0.364 38.864 38.487 0.022 0.000 1.065 470 N HN 0.545 nan 8.380 nan 0.000 0.462 471 Y N 1.299 121.538 120.300 -0.101 0.000 2.333 471 Y HA -0.151 4.399 4.550 0.001 0.000 0.290 471 Y C 1.481 177.289 175.900 -0.153 0.000 1.144 471 Y CA 1.407 59.260 58.100 -0.411 0.000 1.228 471 Y CB -0.342 37.736 38.460 -0.636 0.000 0.985 471 Y HN 0.547 nan 8.280 nan 0.000 0.542 472 D N 0.717 120.731 120.400 -0.644 0.000 2.312 472 D HA -0.066 4.574 4.640 0.001 0.000 0.211 472 D C 1.605 177.812 176.300 -0.154 0.000 0.964 472 D CA 1.245 54.976 54.000 -0.448 0.000 0.877 472 D CB -0.179 40.320 40.800 -0.502 0.000 0.924 472 D HN 0.552 nan 8.370 nan 0.000 0.515 473 A N -0.713 122.077 122.820 -0.050 0.000 2.226 473 A HA 0.288 4.609 4.320 0.001 0.000 0.207 473 A C 1.351 179.040 177.584 0.175 0.000 1.293 473 A CA -0.146 51.917 52.037 0.043 0.000 0.968 473 A CB 0.476 19.497 19.000 0.034 0.000 1.044 473 A HN 0.142 nan 8.150 nan 0.000 0.493 474 L N -0.799 120.568 121.223 0.241 0.000 3.069 474 L HA 0.370 4.711 4.340 0.001 0.000 0.271 474 L C -0.725 176.396 176.870 0.418 0.000 1.201 474 L CA -0.044 54.972 54.840 0.294 0.000 1.015 474 L CB -0.733 41.449 42.059 0.205 0.000 1.371 474 L HN 0.424 nan 8.230 nan 0.000 0.574 475 Y N -0.968 119.475 120.300 0.237 0.000 2.535 475 Y HA 0.088 4.639 4.550 0.002 0.000 0.349 475 Y C 1.173 177.270 175.900 0.329 0.000 0.992 475 Y CA -0.676 57.587 58.100 0.272 0.000 1.248 475 Y CB 0.689 39.338 38.460 0.315 0.000 1.124 475 Y HN -0.003 nan 8.280 nan 0.000 0.520 476 F N 1.360 121.332 119.950 0.036 0.000 2.365 476 F HA -0.187 4.340 4.527 0.001 0.000 0.300 476 F C 2.132 177.963 175.800 0.053 0.000 1.090 476 F CA 0.757 58.739 58.000 -0.029 0.000 1.408 476 F CB -0.376 38.566 39.000 -0.097 0.000 1.060 476 F HN 0.598 nan 8.300 nan 0.000 0.534 477 D N -0.825 119.745 120.400 0.283 0.000 2.224 477 D HA -0.118 4.523 4.640 0.001 0.000 0.205 477 D C 0.806 177.318 176.300 0.353 0.000 0.965 477 D CA 0.338 54.514 54.000 0.295 0.000 0.852 477 D CB -1.175 39.795 40.800 0.283 0.000 0.947 477 D HN 0.124 nan 8.370 nan 0.000 0.494 478 c N 0.233 118.982 118.600 0.249 0.000 2.703 478 c HA 0.512 5.083 4.570 0.001 0.000 0.411 478 c C 1.979 176.154 174.090 0.140 0.000 1.290 478 c CA 0.608 57.016 56.329 0.132 0.000 2.054 478 c CB -0.012 42.502 42.510 0.007 0.000 2.732 478 c HN 0.727 nan 8.230 nan 0.000 0.650 479 G N 0.542 109.389 108.800 0.078 0.000 2.213 479 G HA2 -0.199 3.762 3.960 0.001 0.000 0.226 479 G HA3 -0.199 3.762 3.960 0.001 0.000 0.226 479 G C -0.076 174.737 174.900 -0.146 0.000 0.992 479 G CA 0.091 45.178 45.100 -0.022 0.000 0.632 479 G HN 0.676 nan 8.290 nan 0.000 0.511 480 Y N 0.794 121.179 120.300 0.143 0.000 2.314 480 Y HA 0.517 5.068 4.550 0.001 0.000 0.359 480 Y C 1.772 177.739 175.900 0.112 0.000 1.360 480 Y CA 0.330 58.499 58.100 0.115 0.000 1.697 480 Y CB -0.113 38.423 38.460 0.126 0.000 1.630 480 Y HN 0.275 nan 8.280 nan 0.000 0.583 481 G N -0.394 108.580 108.800 0.291 0.000 2.636 481 G HA2 0.377 4.338 3.960 0.001 0.000 0.246 481 G HA3 0.377 4.338 3.960 0.001 0.000 0.246 481 G C -0.623 174.414 174.900 0.229 0.000 1.216 481 G CA -0.208 45.013 45.100 0.200 0.000 0.854 481 G HN 0.792 nan 8.290 nan 0.000 0.572 482 A N 0.964 123.888 122.820 0.173 0.000 2.445 482 A HA 0.379 4.700 4.320 0.001 0.000 0.242 482 A C 0.976 178.695 177.584 0.226 0.000 1.075 482 A CA 0.130 52.265 52.037 0.163 0.000 0.777 482 A CB 0.089 19.133 19.000 0.072 0.000 1.013 482 A HN 1.100 nan 8.150 nan 0.000 0.493 483 W N 2.029 123.383 121.300 0.090 0.000 3.107 483 W HA 0.379 5.040 4.660 0.002 0.000 0.293 483 W C -0.324 176.221 176.519 0.043 0.000 1.239 483 W CA 0.713 58.093 57.345 0.058 0.000 1.653 483 W CB -0.958 28.530 29.460 0.046 0.000 1.068 483 W HN 0.689 nan 8.180 nan 0.000 0.615 484 V N -0.191 119.503 119.914 -0.366 0.000 2.540 484 V HA 0.915 5.035 4.120 0.001 0.000 0.302 484 V C 0.480 176.512 176.094 -0.102 0.000 1.035 484 V CA -0.174 61.964 62.300 -0.271 0.000 0.873 484 V CB 0.729 32.281 31.823 -0.451 0.000 0.992 484 V HN 0.529 nan 8.190 nan 0.000 0.428 485 G N 3.163 111.952 108.800 -0.019 0.000 2.562 485 G HA2 0.326 4.287 3.960 0.001 0.000 0.250 485 G HA3 0.326 4.287 3.960 0.001 0.000 0.250 485 G C 0.100 175.013 174.900 0.022 0.000 1.269 485 G CA 0.212 45.315 45.100 0.005 0.000 0.919 485 G HN 2.437 nan 8.290 nan 0.000 0.574 486 A N -2.009 120.825 122.820 0.024 0.000 2.483 486 A HA 1.227 5.548 4.320 0.001 0.000 0.286 486 A C 1.267 178.874 177.584 0.039 0.000 1.207 486 A CA 1.221 53.280 52.037 0.037 0.000 0.764 486 A CB 1.010 20.029 19.000 0.031 0.000 1.341 486 A HN 3.090 nan 8.150 nan 0.000 0.428 487 G N -0.112 108.715 108.800 0.045 0.000 2.578 487 G HA2 -0.078 3.883 3.960 0.001 0.000 0.232 487 G HA3 -0.078 3.883 3.960 0.001 0.000 0.232 487 G C -0.410 174.530 174.900 0.067 0.000 1.176 487 G CA 0.181 45.310 45.100 0.047 0.000 0.968 487 G HN 1.219 nan 8.290 nan 0.000 0.583 488 N N 0.660 119.404 118.700 0.073 0.000 2.405 488 N HA 0.570 5.311 4.740 0.001 0.000 0.285 488 N C -0.086 175.500 175.510 0.127 0.000 1.262 488 N CA -0.317 52.790 53.050 0.096 0.000 0.773 488 N CB 1.194 39.719 38.487 0.063 0.000 1.490 488 N HN 1.016 nan 8.380 nan 0.000 0.486 489 N N 0.198 119.002 118.700 0.174 0.000 2.326 489 N HA -0.033 4.707 4.740 0.001 0.000 0.239 489 N C 1.045 176.662 175.510 0.179 0.000 1.301 489 N CA -0.515 52.676 53.050 0.236 0.000 0.909 489 N CB 0.246 38.944 38.487 0.351 0.000 1.156 489 N HN 0.764 nan 8.380 nan 0.000 0.462 490 W N 0.525 121.905 121.300 0.133 0.000 2.342 490 W HA -0.146 4.514 4.660 0.001 0.000 0.297 490 W C 0.587 177.165 176.519 0.098 0.000 1.213 490 W CA 1.020 58.416 57.345 0.085 0.000 1.251 490 W CB -1.462 28.031 29.460 0.054 0.000 1.136 490 W HN 0.527 nan 8.180 nan 0.000 0.526 491 c N 1.308 119.337 118.600 -0.950 0.000 2.778 491 c HA 0.529 5.099 4.570 0.001 0.000 0.294 491 c C 0.988 174.884 174.090 -0.323 0.000 1.331 491 c CA -0.780 54.974 56.329 -0.958 0.000 1.741 491 c CB -1.566 39.976 42.510 -1.613 0.000 2.106 491 c HN 0.043 nan 8.230 nan 0.000 0.603 492 S N 3.715 119.319 115.700 -0.160 0.000 2.573 492 S HA 0.401 4.871 4.470 0.001 0.000 0.277 492 S C -1.466 173.106 174.600 -0.046 0.000 1.346 492 S CA 0.025 58.190 58.200 -0.059 0.000 1.034 492 S CB 0.435 63.631 63.200 -0.007 0.000 0.879 492 S HN 0.654 nan 8.310 nan 0.000 0.528 493 P HA 0.178 nan 4.420 nan 0.000 0.279 493 P C -0.838 176.459 177.300 -0.005 0.000 1.282 493 P CA -0.623 62.469 63.100 -0.014 0.000 0.788 493 P CB 0.337 32.031 31.700 -0.010 0.000 1.139 494 Y N 0.407 120.632 120.300 -0.124 0.000 2.620 494 Y HA 0.153 4.704 4.550 0.001 0.000 0.330 494 Y C 0.442 176.283 175.900 -0.099 0.000 1.186 494 Y CA 0.260 58.278 58.100 -0.136 0.000 1.467 494 Y CB -0.160 38.173 38.460 -0.212 0.000 1.262 494 Y HN 0.080 nan 8.280 nan 0.000 0.550 495 I N 7.255 127.506 120.570 -0.531 0.000 2.301 495 I HA 0.231 4.402 4.170 0.001 0.000 0.292 495 I C 0.989 176.844 176.117 -0.437 0.000 1.046 495 I CA -0.313 60.772 61.300 -0.358 0.000 1.282 495 I CB 0.335 38.199 38.000 -0.228 0.000 1.409 495 I HN 0.808 nan 8.210 nan 0.000 0.484 496 G N 6.209 114.896 108.800 -0.187 0.000 2.606 496 G HA2 -0.021 3.939 3.960 0.001 0.000 0.252 496 G HA3 -0.021 3.939 3.960 0.001 0.000 0.252 496 G C 0.794 175.619 174.900 -0.125 0.000 1.206 496 G CA -0.516 44.521 45.100 -0.105 0.000 0.861 496 G HN 0.959 nan 8.290 nan 0.000 0.561 497 W N 0.761 121.980 121.300 -0.134 0.000 2.374 497 W HA -0.140 4.521 4.660 0.001 0.000 0.288 497 W C 1.423 177.907 176.519 -0.059 0.000 1.218 497 W CA 1.030 58.334 57.345 -0.069 0.000 1.245 497 W CB -0.405 29.035 29.460 -0.034 0.000 1.126 497 W HN 0.564 nan 8.180 nan 0.000 0.545 498 Q N 1.478 120.503 119.800 -1.292 0.000 2.096 498 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 498 Q C 2.289 177.946 176.000 -0.571 0.000 0.982 498 Q CA 2.596 57.476 55.803 -1.539 0.000 0.850 498 Q CB -0.642 26.823 28.738 -2.123 0.000 0.901 498 Q HN 0.336 nan 8.270 nan 0.000 0.422 499 K N 0.173 120.354 120.400 -0.365 0.000 2.057 499 K HA -0.116 4.205 4.320 0.001 0.000 0.206 499 K C 2.027 178.637 176.600 0.018 0.000 1.050 499 K CA 1.157 57.368 56.287 -0.128 0.000 0.935 499 K CB -0.177 32.251 32.500 -0.122 0.000 0.715 499 K HN 0.222 nan 8.250 nan 0.000 0.439 500 V N 0.086 120.047 119.914 0.078 0.000 2.407 500 V HA -0.244 3.877 4.120 0.001 0.000 0.248 500 V C 1.883 178.136 176.094 0.266 0.000 1.055 500 V CA 1.720 64.141 62.300 0.201 0.000 1.049 500 V CB -0.603 31.400 31.823 0.300 0.000 0.662 500 V HN 0.448 nan 8.190 nan 0.000 0.455 501 Y N 1.481 121.913 120.300 0.220 0.000 2.145 501 Y HA -0.165 4.386 4.550 0.001 0.000 0.286 501 Y C 2.231 178.257 175.900 0.211 0.000 1.145 501 Y CA 2.345 60.624 58.100 0.299 0.000 1.148 501 Y CB -0.183 38.554 38.460 0.462 0.000 0.981 501 Y HN 0.353 nan 8.280 nan 0.000 0.507 502 D N 0.077 120.694 120.400 0.361 0.000 2.348 502 D HA -0.107 4.534 4.640 0.001 0.000 0.216 502 D C 0.041 176.418 176.300 0.128 0.000 0.970 502 D CA 0.578 54.731 54.000 0.255 0.000 0.889 502 D CB -0.665 40.284 40.800 0.247 0.000 0.912 502 D HN 0.235 nan 8.370 nan 0.000 0.524 503 N N 0.329 119.089 118.700 0.100 0.000 2.405 503 N HA 0.034 4.774 4.740 0.001 0.000 0.260 503 N C -1.185 174.350 175.510 0.043 0.000 1.152 503 N CA 0.013 53.100 53.050 0.060 0.000 0.948 503 N CB 0.535 39.058 38.487 0.060 0.000 1.111 503 N HN -0.285 nan 8.380 nan 0.000 0.485 504 S N 4.182 119.904 115.700 0.037 0.000 2.498 504 S HA 0.472 4.943 4.470 0.001 0.000 0.317 504 S C -1.848 172.770 174.600 0.030 0.000 1.090 504 S CA -1.798 56.423 58.200 0.037 0.000 1.089 504 S CB 1.189 64.419 63.200 0.050 0.000 0.997 504 S HN 0.456 nan 8.310 nan 0.000 0.470 505 P HA 0.010 nan 4.420 nan 0.000 0.218 505 P C 1.287 178.631 177.300 0.073 0.000 1.149 505 P CA 1.039 64.134 63.100 -0.008 0.000 0.817 505 P CB 0.100 31.695 31.700 -0.175 0.000 0.785 506 A N -0.517 122.381 122.820 0.131 0.000 1.902 506 A HA -0.147 4.173 4.320 0.001 0.000 0.217 506 A C 2.337 179.961 177.584 0.067 0.000 1.181 506 A CA 1.748 53.856 52.037 0.118 0.000 0.623 506 A CB -1.681 17.384 19.000 0.108 0.000 0.818 506 A HN 0.029 nan 8.150 nan 0.000 0.443 507 V N 0.145 120.091 119.914 0.053 0.000 2.358 507 V HA -0.252 3.868 4.120 0.001 0.000 0.246 507 V C 2.408 178.521 176.094 0.031 0.000 1.047 507 V CA 2.014 64.336 62.300 0.036 0.000 1.035 507 V CB -0.646 31.196 31.823 0.033 0.000 0.658 507 V HN 0.573 nan 8.190 nan 0.000 0.452 508 I N 0.307 120.894 120.570 0.029 0.000 2.286 508 I HA -0.200 3.971 4.170 0.001 0.000 0.248 508 I C 2.354 178.487 176.117 0.027 0.000 1.115 508 I CA 1.652 62.962 61.300 0.018 0.000 1.392 508 I CB -0.352 37.652 38.000 0.007 0.000 1.065 508 I HN 0.299 nan 8.210 nan 0.000 0.418 509 A N -0.545 122.303 122.820 0.047 0.000 2.197 509 A HA 0.280 4.601 4.320 0.001 0.000 0.210 509 A C 1.446 179.086 177.584 0.092 0.000 1.180 509 A CA -0.103 51.979 52.037 0.075 0.000 0.846 509 A CB 0.094 19.148 19.000 0.090 0.000 0.884 509 A HN 0.293 nan 8.150 nan 0.000 0.487 510 L N -1.252 120.005 121.223 0.057 0.000 6.079 510 L HA -0.394 3.946 4.340 0.001 0.000 0.053 510 L C 2.124 178.993 176.870 -0.002 0.000 2.483 510 L CA 1.645 56.501 54.840 0.027 0.000 1.581 510 L CB -1.129 40.942 42.059 0.019 0.000 2.843 510 L HN 0.604 nan 8.230 nan 0.000 1.020 511 E N 0.667 120.822 120.200 -0.076 0.000 2.333 511 E HA -0.178 4.173 4.350 0.001 0.000 0.198 511 E C 1.321 177.786 176.600 -0.225 0.000 1.007 511 E CA 2.274 58.564 56.400 -0.183 0.000 0.845 511 E CB -0.471 29.058 29.700 -0.285 0.000 0.766 511 E HN 0.857 nan 8.360 nan 0.000 0.507 512 H N 0.293 119.366 119.070 0.006 0.000 2.538 512 H HA 0.297 4.854 4.556 0.001 0.000 0.286 512 H C 1.497 176.841 175.328 0.027 0.000 1.035 512 H CA -0.218 55.836 56.048 0.010 0.000 1.169 512 H CB 0.216 29.981 29.762 0.004 0.000 1.417 512 H HN 0.068 nan 8.280 nan 0.000 0.567 513 R N 0.105 120.670 120.500 0.108 0.000 2.105 513 R HA -0.172 4.169 4.340 0.001 0.000 0.239 513 R C 1.382 177.759 176.300 0.128 0.000 1.135 513 R CA 1.750 57.922 56.100 0.121 0.000 0.967 513 R CB -0.067 30.281 30.300 0.079 0.000 0.861 513 R HN 0.325 nan 8.270 nan 0.000 0.442 514 D N 0.406 120.854 120.400 0.080 0.000 2.264 514 D HA -0.128 4.513 4.640 0.001 0.000 0.208 514 D C 1.471 177.821 176.300 0.083 0.000 0.966 514 D CA 0.925 54.963 54.000 0.062 0.000 0.864 514 D CB 0.195 41.008 40.800 0.022 0.000 0.933 514 D HN 0.227 nan 8.370 nan 0.000 0.499 515 Q N -0.735 119.123 119.800 0.096 0.000 2.435 515 Q HA 0.058 4.398 4.340 0.001 0.000 0.207 515 Q C -0.139 175.908 176.000 0.078 0.000 0.956 515 Q CA 0.150 56.000 55.803 0.079 0.000 0.917 515 Q CB 0.778 29.561 28.738 0.075 0.000 0.997 515 Q HN 0.137 nan 8.270 nan 0.000 0.497 516 V N 1.933 121.916 119.914 0.114 0.000 2.389 516 V HA 0.016 4.136 4.120 0.001 0.000 0.264 516 V C 1.154 177.330 176.094 0.137 0.000 1.049 516 V CA 0.134 62.485 62.300 0.084 0.000 0.932 516 V CB 0.872 32.736 31.823 0.068 0.000 1.011 516 V HN 0.342 nan 8.190 nan 0.000 0.475 517 L N 4.332 125.587 121.223 0.052 0.000 2.201 517 L HA 0.210 4.551 4.340 0.001 0.000 0.212 517 L C 1.326 178.269 176.870 0.122 0.000 1.105 517 L CA 1.377 56.268 54.840 0.085 0.000 0.775 517 L CB -0.419 41.637 42.059 -0.005 0.000 0.913 517 L HN 0.902 nan 8.230 nan 0.000 0.440 518 G N -1.495 107.259 108.800 -0.077 0.000 2.347 518 G HA2 0.327 4.288 3.960 0.001 0.000 0.224 518 G HA3 0.327 4.288 3.960 0.001 0.000 0.224 518 G C -1.089 173.697 174.900 -0.190 0.000 1.318 518 G CA -0.378 44.604 45.100 -0.197 0.000 1.016 518 G HN 0.252 nan 8.290 nan 0.000 0.469 519 G N -0.919 107.864 108.800 -0.029 0.000 2.672 519 G HA2 0.712 4.672 3.960 0.001 0.000 0.292 519 G HA3 0.712 4.672 3.960 0.001 0.000 0.292 519 G C -1.620 173.363 174.900 0.138 0.000 1.375 519 G CA 0.271 45.376 45.100 0.009 0.000 0.890 519 G HN 0.746 nan 8.290 nan 0.000 0.476 520 E N -0.255 120.004 120.200 0.100 0.000 2.291 520 E HA 0.564 4.915 4.350 0.001 0.000 0.276 520 E C -0.287 176.292 176.600 -0.035 0.000 0.896 520 E CA -0.844 55.612 56.400 0.094 0.000 0.774 520 E CB 1.822 31.635 29.700 0.187 0.000 1.227 520 E HN 0.786 nan 8.360 nan 0.000 0.413 521 A N 2.941 125.634 122.820 -0.211 0.000 2.409 521 A HA 0.627 4.947 4.320 0.001 0.000 0.262 521 A C -0.161 177.096 177.584 -0.545 0.000 1.113 521 A CA 0.203 51.901 52.037 -0.565 0.000 0.790 521 A CB 0.626 18.982 19.000 -1.073 0.000 1.046 521 A HN 0.564 nan 8.150 nan 0.000 0.496 522 A N 2.458 124.958 122.820 -0.534 0.000 2.271 522 A HA 0.585 4.906 4.320 0.001 0.000 0.317 522 A C -0.663 176.547 177.584 -0.624 0.000 1.245 522 A CA -0.415 51.235 52.037 -0.646 0.000 0.857 522 A CB 0.434 18.992 19.000 -0.738 0.000 1.175 522 A HN 1.336 nan 8.150 nan 0.000 0.512 523 L N 3.732 124.571 121.223 -0.641 0.000 2.356 523 L HA 0.557 4.898 4.340 0.001 0.000 0.264 523 L C -1.092 175.480 176.870 -0.497 0.000 1.029 523 L CA -0.637 53.967 54.840 -0.392 0.000 0.897 523 L CB -0.258 41.663 42.059 -0.230 0.000 1.256 523 L HN 0.727 nan 8.230 nan 0.000 0.444 524 W N 3.105 124.260 121.300 -0.241 0.000 2.202 524 W HA 0.325 4.986 4.660 0.002 0.000 0.332 524 W C 1.114 177.564 176.519 -0.113 0.000 1.263 524 W CA -0.376 56.830 57.345 -0.231 0.000 1.223 524 W CB 0.895 30.210 29.460 -0.242 0.000 1.128 524 W HN 0.465 nan 8.180 nan 0.000 0.573 525 S N 1.127 116.912 115.700 0.142 0.000 2.601 525 S HA 0.007 4.477 4.470 0.001 0.000 0.244 525 S C 0.970 175.541 174.600 -0.049 0.000 1.001 525 S CA -0.367 57.889 58.200 0.094 0.000 0.984 525 S CB 0.001 63.342 63.200 0.235 0.000 0.842 525 S HN 0.500 nan 8.310 nan 0.000 0.474 526 E N 2.050 122.146 120.200 -0.173 0.000 2.160 526 E HA -0.116 4.235 4.350 0.001 0.000 0.195 526 E C 1.114 177.461 176.600 -0.422 0.000 0.991 526 E CA 1.113 57.200 56.400 -0.522 0.000 0.810 526 E CB 0.010 29.128 29.700 -0.970 0.000 0.742 526 E HN 0.512 nan 8.360 nan 0.000 0.466 527 Q N -0.709 118.962 119.800 -0.215 0.000 2.129 527 Q HA 0.334 4.674 4.340 0.001 0.000 0.274 527 Q C -0.881 175.042 176.000 -0.129 0.000 0.854 527 Q CA -0.212 55.502 55.803 -0.148 0.000 1.123 527 Q CB 1.493 30.180 28.738 -0.084 0.000 1.226 527 Q HN -0.076 nan 8.270 nan 0.000 0.454 528 S N 0.743 116.393 115.700 -0.084 0.000 2.537 528 S HA 0.540 5.011 4.470 0.001 0.000 0.270 528 S C -1.878 172.645 174.600 -0.127 0.000 1.142 528 S CA -0.533 57.636 58.200 -0.052 0.000 0.870 528 S CB 1.415 64.654 63.200 0.064 0.000 1.112 528 S HN 0.408 nan 8.310 nan 0.000 0.466 529 D N 0.825 121.027 120.400 -0.330 0.000 3.236 529 D HA 0.322 4.962 4.640 0.001 0.000 0.325 529 D C 0.863 176.694 176.300 -0.782 0.000 1.352 529 D CA -0.159 53.320 54.000 -0.869 0.000 0.979 529 D CB -0.373 40.152 40.800 -0.458 0.000 1.410 529 D HN 0.368 nan 8.370 nan 0.000 0.588 530 T N -0.131 114.056 114.554 -0.611 0.000 2.720 530 T HA -0.093 4.258 4.350 0.001 0.000 0.268 530 T C 1.812 176.455 174.700 -0.095 0.000 1.037 530 T CA 2.201 64.164 62.100 -0.229 0.000 1.144 530 T CB -0.489 68.318 68.868 -0.102 0.000 0.864 530 T HN 0.393 nan 8.240 nan 0.000 0.444 531 S N 1.087 116.724 115.700 -0.106 0.000 2.382 531 S HA -0.101 4.370 4.470 0.001 0.000 0.228 531 S C 2.356 176.939 174.600 -0.029 0.000 1.027 531 S CA 1.668 59.836 58.200 -0.053 0.000 0.991 531 S CB -0.386 62.781 63.200 -0.055 0.000 0.823 531 S HN 0.837 nan 8.310 nan 0.000 0.469 532 T N -0.492 114.038 114.554 -0.040 0.000 3.040 532 T HA 0.264 4.615 4.350 0.001 0.000 0.250 532 T C 1.584 176.312 174.700 0.045 0.000 1.058 532 T CA 0.053 62.146 62.100 -0.012 0.000 0.988 532 T CB -0.204 68.629 68.868 -0.058 0.000 0.993 532 T HN 0.242 nan 8.240 nan 0.000 0.519 533 L N 1.766 123.044 121.223 0.092 0.000 2.042 533 L HA -0.017 4.324 4.340 0.001 0.000 0.210 533 L C 1.716 178.668 176.870 0.137 0.000 1.076 533 L CA 2.056 56.998 54.840 0.171 0.000 0.749 533 L CB -0.676 41.561 42.059 0.296 0.000 0.893 533 L HN -0.007 nan 8.230 nan 0.000 0.432 534 D N 0.209 120.701 120.400 0.155 0.000 2.097 534 D HA -0.120 4.521 4.640 0.001 0.000 0.195 534 D C 2.193 178.618 176.300 0.209 0.000 0.989 534 D CA 1.566 55.713 54.000 0.245 0.000 0.827 534 D CB -0.696 40.208 40.800 0.175 0.000 0.966 534 D HN 0.538 nan 8.370 nan 0.000 0.456 535 G N 0.656 109.527 108.800 0.118 0.000 2.422 535 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 535 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 535 G C 1.737 176.678 174.900 0.069 0.000 1.146 535 G CA 0.282 45.437 45.100 0.092 0.000 0.769 535 G HN 0.102 nan 8.290 nan 0.000 0.547 536 R N 0.057 120.590 120.500 0.056 0.000 2.081 536 R HA 0.070 4.410 4.340 0.001 0.000 0.235 536 R C 2.585 178.855 176.300 -0.051 0.000 1.131 536 R CA 0.814 56.943 56.100 0.049 0.000 0.960 536 R CB -0.790 29.553 30.300 0.073 0.000 0.856 536 R HN 0.419 nan 8.270 nan 0.000 0.436 537 L N -1.939 119.171 121.223 -0.187 0.000 2.249 537 L HA 0.046 4.387 4.340 0.001 0.000 0.207 537 L C 0.249 176.618 176.870 -0.835 0.000 1.090 537 L CA 0.372 54.870 54.840 -0.569 0.000 0.802 537 L CB -0.129 41.319 42.059 -1.019 0.000 0.947 537 L HN 0.062 nan 8.230 nan 0.000 0.453 538 W N -0.034 121.292 121.300 0.043 0.000 2.632 538 W HA 0.374 5.035 4.660 0.002 0.000 0.328 538 W C -1.965 174.520 176.519 -0.056 0.000 1.044 538 W CA -1.622 55.714 57.345 -0.016 0.000 1.225 538 W CB 0.592 30.027 29.460 -0.042 0.000 1.396 538 W HN -0.312 nan 8.180 nan 0.000 0.499 539 P HA 0.119 nan 4.420 nan 0.000 0.268 539 P C 1.006 178.354 177.300 0.079 0.000 1.329 539 P CA 0.157 63.327 63.100 0.118 0.000 0.899 539 P CB 0.413 32.038 31.700 -0.125 0.000 1.378 540 R N 0.592 121.093 120.500 0.001 0.000 2.105 540 R HA -0.069 4.272 4.340 0.001 0.000 0.239 540 R C 2.204 178.658 176.300 0.257 0.000 1.135 540 R CA 1.697 57.803 56.100 0.011 0.000 0.967 540 R CB -0.874 29.150 30.300 -0.461 0.000 0.861 540 R HN 0.141 nan 8.270 nan 0.000 0.442 541 A N 0.987 123.945 122.820 0.231 0.000 2.019 541 A HA -0.080 4.241 4.320 0.001 0.000 0.219 541 A C 2.292 180.083 177.584 0.345 0.000 1.164 541 A CA 1.493 53.656 52.037 0.210 0.000 0.644 541 A CB -0.433 18.365 19.000 -0.337 0.000 0.805 541 A HN 0.403 nan 8.150 nan 0.000 0.449 542 A N -0.077 122.987 122.820 0.408 0.000 1.972 542 A HA 0.169 4.490 4.320 0.001 0.000 0.219 542 A C 2.442 180.420 177.584 0.656 0.000 1.169 542 A CA 1.856 54.153 52.037 0.433 0.000 0.635 542 A CB -0.831 18.207 19.000 0.063 0.000 0.810 542 A HN 0.988 nan 8.150 nan 0.000 0.446 543 A N -0.449 122.716 122.820 0.576 0.000 1.902 543 A HA -0.023 4.298 4.320 0.001 0.000 0.217 543 A C 2.102 179.990 177.584 0.508 0.000 1.181 543 A CA 1.678 54.185 52.037 0.783 0.000 0.623 543 A CB -0.577 18.911 19.000 0.814 0.000 0.818 543 A HN 0.661 nan 8.150 nan 0.000 0.443 544 L N -0.189 121.268 121.223 0.391 0.000 2.046 544 L HA -0.056 4.285 4.340 0.001 0.000 0.208 544 L C 2.655 179.674 176.870 0.249 0.000 1.077 544 L CA 2.127 57.121 54.840 0.256 0.000 0.747 544 L CB -0.812 41.363 42.059 0.194 0.000 0.896 544 L HN 0.345 nan 8.230 nan 0.000 0.432 545 A N -0.786 122.233 122.820 0.331 0.000 1.908 545 A HA -0.284 4.036 4.320 0.001 0.000 0.218 545 A C 2.330 180.066 177.584 0.253 0.000 1.181 545 A CA 1.890 54.115 52.037 0.314 0.000 0.627 545 A CB -0.727 18.494 19.000 0.368 0.000 0.818 545 A HN 0.613 nan 8.150 nan 0.000 0.445 546 E N -0.701 119.632 120.200 0.221 0.000 2.072 546 E HA -0.236 4.114 4.350 0.001 0.000 0.191 546 E C 2.235 178.807 176.600 -0.046 0.000 0.985 546 E CA 1.309 57.681 56.400 -0.047 0.000 0.801 546 E CB -0.082 29.412 29.700 -0.342 0.000 0.750 546 E HN 0.422 nan 8.360 nan 0.000 0.452 547 R N 0.734 121.182 120.500 -0.087 0.000 2.091 547 R HA -0.106 4.234 4.340 0.001 0.000 0.238 547 R C 2.159 178.508 176.300 0.081 0.000 1.136 547 R CA 1.627 57.656 56.100 -0.118 0.000 0.959 547 R CB -0.693 29.531 30.300 -0.127 0.000 0.856 547 R HN 0.294 nan 8.270 nan 0.000 0.437 548 L N -1.242 120.079 121.223 0.163 0.000 2.072 548 L HA -0.132 4.208 4.340 0.001 0.000 0.205 548 L C 2.500 179.559 176.870 0.316 0.000 1.079 548 L CA 1.199 56.214 54.840 0.292 0.000 0.752 548 L CB -0.726 41.471 42.059 0.230 0.000 0.906 548 L HN 0.357 nan 8.230 nan 0.000 0.436 549 W N 1.173 122.509 121.300 0.061 0.000 2.379 549 W HA -0.151 4.509 4.660 0.001 0.000 0.307 549 W C 2.115 178.603 176.519 -0.052 0.000 1.200 549 W CA 1.973 59.317 57.345 -0.002 0.000 1.297 549 W CB 0.159 29.591 29.460 -0.047 0.000 1.140 549 W HN 0.136 nan 8.180 nan 0.000 0.507 550 A N -0.650 122.255 122.820 0.140 0.000 2.108 550 A HA 0.096 4.417 4.320 0.001 0.000 0.206 550 A C 0.767 178.330 177.584 -0.035 0.000 1.212 550 A CA 0.301 52.352 52.037 0.023 0.000 0.843 550 A CB -0.325 18.692 19.000 0.028 0.000 0.902 550 A HN 0.180 nan 8.150 nan 0.000 0.477 551 E N -0.159 120.039 120.200 -0.003 0.000 2.228 551 E HA -0.137 4.213 4.350 0.001 0.000 0.213 551 E C -2.297 174.297 176.600 -0.010 0.000 1.282 551 E CA 0.667 57.073 56.400 0.009 0.000 0.707 551 E CB -1.574 28.137 29.700 0.018 0.000 1.150 551 E HN 0.441 nan 8.360 nan 0.000 0.362 552 P HA 0.039 nan 4.420 nan 0.000 0.268 552 P C 0.705 178.035 177.300 0.050 0.000 1.205 552 P CA 0.595 63.709 63.100 0.024 0.000 0.771 552 P CB 0.823 32.567 31.700 0.074 0.000 0.858 553 A N 2.539 125.389 122.820 0.051 0.000 1.969 553 A HA -0.032 4.288 4.320 0.001 0.000 0.218 553 A C 1.012 178.638 177.584 0.070 0.000 1.169 553 A CA 1.397 53.464 52.037 0.050 0.000 0.635 553 A CB -1.420 17.602 19.000 0.037 0.000 0.810 553 A HN 0.653 nan 8.150 nan 0.000 0.445 554 T N -0.743 113.868 114.554 0.096 0.000 2.813 554 T HA 0.454 4.804 4.350 0.001 0.000 0.297 554 T C 0.489 175.300 174.700 0.184 0.000 1.036 554 T CA -0.057 62.108 62.100 0.109 0.000 1.044 554 T CB 1.091 70.027 68.868 0.113 0.000 0.993 554 T HN 0.576 nan 8.240 nan 0.000 0.535 555 S N 1.211 116.983 115.700 0.120 0.000 2.745 555 S HA 0.312 4.783 4.470 0.001 0.000 0.292 555 S C 1.445 176.092 174.600 0.078 0.000 1.127 555 S CA -0.761 57.528 58.200 0.150 0.000 1.007 555 S CB 0.365 63.560 63.200 -0.009 0.000 1.165 555 S HN 1.009 nan 8.310 nan 0.000 0.544 556 W N 1.212 122.506 121.300 -0.010 0.000 2.342 556 W HA -0.159 4.502 4.660 0.001 0.000 0.297 556 W C 1.588 178.029 176.519 -0.128 0.000 1.213 556 W CA 1.446 58.622 57.345 -0.281 0.000 1.251 556 W CB -1.129 28.046 29.460 -0.476 0.000 1.136 556 W HN 0.811 nan 8.180 nan 0.000 0.526 557 Q N 0.848 120.120 119.800 -0.881 0.000 2.170 557 Q HA -0.185 4.156 4.340 0.001 0.000 0.203 557 Q C 1.388 177.196 176.000 -0.321 0.000 0.976 557 Q CA 1.645 56.999 55.803 -0.749 0.000 0.858 557 Q CB -1.129 27.012 28.738 -0.994 0.000 0.907 557 Q HN 0.299 nan 8.270 nan 0.000 0.433 558 D N 1.532 121.797 120.400 -0.225 0.000 2.219 558 D HA -0.034 4.607 4.640 0.001 0.000 0.205 558 D C 1.393 177.672 176.300 -0.034 0.000 0.970 558 D CA 1.518 55.450 54.000 -0.114 0.000 0.851 558 D CB 0.108 40.888 40.800 -0.033 0.000 0.943 558 D HN 0.443 nan 8.370 nan 0.000 0.488 559 A N 0.445 123.276 122.820 0.017 0.000 2.308 559 A HA 0.012 4.333 4.320 0.001 0.000 0.217 559 A C 1.880 179.631 177.584 0.279 0.000 1.216 559 A CA 0.085 52.211 52.037 0.149 0.000 0.864 559 A CB -0.055 18.962 19.000 0.028 0.000 0.902 559 A HN 0.117 nan 8.150 nan 0.000 0.499 560 E N -0.234 120.109 120.200 0.237 0.000 2.058 560 E HA -0.235 4.116 4.350 0.001 0.000 0.194 560 E C 1.369 178.143 176.600 0.289 0.000 0.997 560 E CA 1.695 58.319 56.400 0.375 0.000 0.801 560 E CB -0.308 29.622 29.700 0.383 0.000 0.746 560 E HN 0.812 nan 8.360 nan 0.000 0.450 561 Y N 0.005 120.436 120.300 0.220 0.000 2.181 561 Y HA -0.144 4.407 4.550 0.001 0.000 0.288 561 Y C 2.719 178.737 175.900 0.197 0.000 1.146 561 Y CA 0.704 58.914 58.100 0.182 0.000 1.164 561 Y CB -0.137 38.394 38.460 0.118 0.000 0.982 561 Y HN -0.017 nan 8.280 nan 0.000 0.515 562 R N -0.362 120.360 120.500 0.370 0.000 2.096 562 R HA -0.196 4.145 4.340 0.001 0.000 0.235 562 R C 2.252 178.669 176.300 0.196 0.000 1.127 562 R CA 1.652 57.982 56.100 0.384 0.000 0.968 562 R CB -0.352 30.267 30.300 0.531 0.000 0.861 562 R HN 0.316 nan 8.270 nan 0.000 0.440 563 M N 0.951 120.535 119.600 -0.026 0.000 2.159 563 M HA -0.097 4.384 4.480 0.001 0.000 0.263 563 M C 1.743 177.785 176.300 -0.431 0.000 1.063 563 M CA 1.634 56.555 55.300 -0.631 0.000 1.110 563 M CB -0.215 31.795 32.600 -0.983 0.000 1.374 563 M HN 0.084 nan 8.290 nan 0.000 0.411 564 L N -1.151 119.986 121.223 -0.142 0.000 2.083 564 L HA -0.250 4.090 4.340 0.001 0.000 0.209 564 L C 2.807 179.561 176.870 -0.194 0.000 1.083 564 L CA 1.637 56.413 54.840 -0.108 0.000 0.752 564 L CB -1.228 40.917 42.059 0.143 0.000 0.899 564 L HN 0.518 nan 8.230 nan 0.000 0.433 565 H N 0.156 119.190 119.070 -0.059 0.000 2.326 565 H HA -0.190 4.367 4.556 0.001 0.000 0.301 565 H C 2.283 177.507 175.328 -0.174 0.000 1.081 565 H CA 1.897 57.908 56.048 -0.061 0.000 1.334 565 H CB 0.184 30.027 29.762 0.134 0.000 1.385 565 H HN 0.224 nan 8.280 nan 0.000 0.504 566 I N 1.452 121.872 120.570 -0.250 0.000 2.286 566 I HA -0.213 3.957 4.170 0.001 0.000 0.248 566 I C 2.828 178.701 176.117 -0.406 0.000 1.115 566 I CA 0.940 62.021 61.300 -0.365 0.000 1.392 566 I CB -0.534 37.159 38.000 -0.511 0.000 1.065 566 I HN 0.117 nan 8.210 nan 0.000 0.418 567 R N 0.637 120.897 120.500 -0.400 0.000 2.091 567 R HA -0.182 4.159 4.340 0.001 0.000 0.238 567 R C 1.983 178.090 176.300 -0.323 0.000 1.136 567 R CA 1.627 57.534 56.100 -0.322 0.000 0.959 567 R CB -0.476 29.646 30.300 -0.297 0.000 0.856 567 R HN 0.374 nan 8.270 nan 0.000 0.437 568 E N 0.393 120.347 120.200 -0.410 0.000 2.110 568 E HA -0.194 4.157 4.350 0.001 0.000 0.193 568 E C 2.038 178.428 176.600 -0.349 0.000 0.988 568 E CA 0.866 57.029 56.400 -0.395 0.000 0.804 568 E CB -0.338 29.067 29.700 -0.491 0.000 0.745 568 E HN 0.333 nan 8.360 nan 0.000 0.458 569 R N 0.395 120.641 120.500 -0.423 0.000 2.081 569 R HA -0.079 4.261 4.340 0.001 0.000 0.235 569 R C 2.542 178.684 176.300 -0.264 0.000 1.131 569 R CA 0.896 56.799 56.100 -0.329 0.000 0.960 569 R CB -0.215 29.889 30.300 -0.326 0.000 0.856 569 R HN 0.117 nan 8.270 nan 0.000 0.436 570 L N -0.100 120.954 121.223 -0.280 0.000 2.046 570 L HA -0.176 4.165 4.340 0.001 0.000 0.208 570 L C 2.387 179.128 176.870 -0.215 0.000 1.077 570 L CA 0.959 55.631 54.840 -0.280 0.000 0.747 570 L CB -0.412 41.461 42.059 -0.310 0.000 0.896 570 L HN 0.038 nan 8.230 nan 0.000 0.432 571 V N -0.119 119.682 119.914 -0.188 0.000 2.407 571 V HA -0.272 3.849 4.120 0.001 0.000 0.248 571 V C 2.705 178.716 176.094 -0.138 0.000 1.055 571 V CA 1.856 64.069 62.300 -0.145 0.000 1.049 571 V CB -0.638 31.104 31.823 -0.135 0.000 0.662 571 V HN 0.427 nan 8.190 nan 0.000 0.455 572 R N 0.587 120.992 120.500 -0.157 0.000 2.120 572 R HA -0.064 4.277 4.340 0.001 0.000 0.234 572 R C 1.998 178.218 176.300 -0.133 0.000 1.123 572 R CA 1.750 57.767 56.100 -0.139 0.000 0.975 572 R CB -0.615 29.596 30.300 -0.147 0.000 0.866 572 R HN 0.491 nan 8.270 nan 0.000 0.446 573 M N -0.981 118.529 119.600 -0.151 0.000 2.549 573 M HA 0.117 4.598 4.480 0.001 0.000 0.260 573 M C 1.039 177.267 176.300 -0.120 0.000 1.076 573 M CA 1.313 56.526 55.300 -0.145 0.000 1.090 573 M CB 0.168 32.656 32.600 -0.185 0.000 1.418 573 M HN 0.511 nan 8.290 nan 0.000 0.486 574 G N 0.742 109.475 108.800 -0.111 0.000 2.157 574 G HA2 -0.185 3.776 3.960 0.001 0.000 0.239 574 G HA3 -0.185 3.776 3.960 0.001 0.000 0.239 574 G C 0.079 174.930 174.900 -0.081 0.000 0.982 574 G CA -0.529 44.520 45.100 -0.085 0.000 0.650 574 G HN 0.339 nan 8.290 nan 0.000 0.527 575 I N 1.365 121.868 120.570 -0.111 0.000 2.496 575 I HA 0.180 4.350 4.170 0.001 0.000 0.285 575 I C 0.583 176.674 176.117 -0.044 0.000 1.080 575 I CA -0.125 61.119 61.300 -0.094 0.000 1.404 575 I CB 1.113 38.992 38.000 -0.202 0.000 1.403 575 I HN 0.091 nan 8.210 nan 0.000 0.539 576 Q N 5.224 125.030 119.800 0.009 0.000 3.184 576 Q HA 0.321 4.661 4.340 0.001 0.000 0.288 576 Q C 0.298 176.328 176.000 0.051 0.000 1.412 576 Q CA -0.291 55.523 55.803 0.017 0.000 0.991 576 Q CB 0.104 28.855 28.738 0.020 0.000 1.688 576 Q HN 0.642 nan 8.270 nan 0.000 0.554 577 A N 1.556 124.397 122.820 0.035 0.000 2.445 577 A HA 0.110 4.431 4.320 0.001 0.000 0.242 577 A C 0.618 178.221 177.584 0.031 0.000 1.075 577 A CA -0.301 51.775 52.037 0.065 0.000 0.777 577 A CB 0.489 19.498 19.000 0.016 0.000 1.013 577 A HN 0.325 nan 8.150 nan 0.000 0.493 578 E N 0.684 120.912 120.200 0.046 0.000 2.418 578 E HA 0.110 4.461 4.350 0.001 0.000 0.261 578 E C 0.208 176.802 176.600 -0.010 0.000 1.070 578 E CA 0.325 56.739 56.400 0.024 0.000 0.931 578 E CB 0.936 30.662 29.700 0.043 0.000 0.954 578 E HN 0.566 nan 8.360 nan 0.000 0.439 579 S N 2.486 118.177 115.700 -0.015 0.000 2.475 579 S HA 0.195 4.666 4.470 0.001 0.000 0.281 579 S C 0.800 175.394 174.600 -0.009 0.000 1.198 579 S CA -0.675 57.509 58.200 -0.026 0.000 1.063 579 S CB 0.407 63.595 63.200 -0.019 0.000 0.972 579 S HN 0.349 nan 8.310 nan 0.000 0.486 580 L N 4.115 125.329 121.223 -0.015 0.000 2.221 580 L HA 0.419 4.760 4.340 0.001 0.000 0.202 580 L C 0.981 177.896 176.870 0.074 0.000 1.074 580 L CA 1.475 56.335 54.840 0.032 0.000 0.795 580 L CB -0.555 41.498 42.059 -0.011 0.000 0.960 580 L HN 0.741 nan 8.230 nan 0.000 0.458 581 Q N -1.821 118.020 119.800 0.069 0.000 2.626 581 Q HA 0.417 4.757 4.340 0.001 0.000 0.300 581 Q C -2.455 173.607 176.000 0.103 0.000 0.988 581 Q CA -1.909 53.961 55.803 0.112 0.000 0.761 581 Q CB 0.874 29.716 28.738 0.174 0.000 1.494 581 Q HN -0.159 nan 8.270 nan 0.000 0.439 582 P HA -0.016 nan 4.420 nan 0.000 0.269 582 P C 0.016 177.429 177.300 0.189 0.000 1.209 582 P CA 0.187 63.380 63.100 0.155 0.000 0.776 582 P CB 0.621 32.438 31.700 0.195 0.000 0.876 583 E N 1.174 121.471 120.200 0.162 0.000 2.209 583 E HA -0.208 4.143 4.350 0.001 0.000 0.196 583 E C 1.377 178.118 176.600 0.235 0.000 0.993 583 E CA 0.804 57.306 56.400 0.171 0.000 0.819 583 E CB -0.198 29.574 29.700 0.121 0.000 0.745 583 E HN 0.573 nan 8.360 nan 0.000 0.477 584 W N 0.347 121.697 121.300 0.084 0.000 2.342 584 W HA -0.284 4.377 4.660 0.001 0.000 0.297 584 W C 2.144 178.717 176.519 0.090 0.000 1.213 584 W CA 1.515 58.898 57.345 0.064 0.000 1.251 584 W CB -0.413 29.061 29.460 0.024 0.000 1.136 584 W HN 0.147 nan 8.180 nan 0.000 0.526 585 c N -0.988 117.820 118.600 0.346 0.000 2.429 585 c HA -0.234 4.337 4.570 0.001 0.000 0.277 585 c C 2.466 176.601 174.090 0.074 0.000 1.262 585 c CA 1.215 57.684 56.329 0.232 0.000 1.733 585 c CB -1.853 40.849 42.510 0.321 0.000 2.010 585 c HN 0.527 nan 8.230 nan 0.000 0.483 586 Y N 1.743 122.030 120.300 -0.022 0.000 2.224 586 Y HA -0.206 4.345 4.550 0.001 0.000 0.289 586 Y C 2.503 178.296 175.900 -0.179 0.000 1.146 586 Y CA 1.742 59.795 58.100 -0.079 0.000 1.182 586 Y CB -0.612 37.821 38.460 -0.046 0.000 0.983 586 Y HN 0.432 nan 8.280 nan 0.000 0.524 587 Q N -0.465 119.207 119.800 -0.213 0.000 2.378 587 Q HA -0.050 4.291 4.340 0.001 0.000 0.205 587 Q C -0.173 175.676 176.000 -0.253 0.000 0.954 587 Q CA 0.983 56.631 55.803 -0.258 0.000 0.901 587 Q CB -0.031 28.645 28.738 -0.104 0.000 0.981 587 Q HN 0.515 nan 8.270 nan 0.000 0.483 588 N N 1.101 119.531 118.700 -0.450 0.000 2.765 588 N HA 0.136 4.876 4.740 0.001 0.000 0.277 588 N C -1.600 173.783 175.510 -0.212 0.000 1.750 588 N CA -0.144 52.639 53.050 -0.445 0.000 0.827 588 N CB 0.984 38.785 38.487 -1.145 0.000 1.200 588 N HN 0.048 nan 8.380 nan 0.000 0.494 589 E N 0.044 120.091 120.200 -0.254 0.000 2.465 589 E HA 0.204 4.555 4.350 0.001 0.000 0.260 589 E C 1.072 177.587 176.600 -0.142 0.000 0.980 589 E CA 0.726 56.922 56.400 -0.341 0.000 0.927 589 E CB 0.422 29.669 29.700 -0.755 0.000 0.934 589 E HN 0.641 nan 8.360 nan 0.000 0.459 590 G N 2.443 111.258 108.800 0.025 0.000 2.241 590 G HA2 -0.361 3.599 3.960 0.001 0.000 0.244 590 G HA3 -0.361 3.599 3.960 0.001 0.000 0.244 590 G C 0.652 175.608 174.900 0.093 0.000 0.998 590 G CA 0.212 45.334 45.100 0.037 0.000 0.621 590 G HN 0.646 nan 8.290 nan 0.000 0.519 591 Y N 0.306 120.756 120.300 0.250 0.000 2.439 591 Y HA 0.190 4.740 4.550 0.001 0.000 0.292 591 Y C 1.885 178.062 175.900 0.462 0.000 1.130 591 Y CA 0.959 59.295 58.100 0.394 0.000 1.254 591 Y CB 0.272 39.004 38.460 0.453 0.000 1.000 591 Y HN 0.343 nan 8.280 nan 0.000 0.554 592 c N 1.510 120.436 118.600 0.543 0.000 2.264 592 c HA 0.511 5.081 4.570 0.001 0.000 0.322 592 c C -0.739 173.589 174.090 0.396 0.000 1.210 592 c CA -1.034 55.526 56.329 0.386 0.000 1.539 592 c CB -1.973 40.763 42.510 0.377 0.000 2.167 592 c HN 0.372 nan 8.230 nan 0.000 0.463 593 Y N 0.919 121.343 120.300 0.207 0.000 2.670 593 Y HA 0.881 5.431 4.550 0.001 0.000 0.334 593 Y C -0.519 175.469 175.900 0.147 0.000 1.185 593 Y CA -0.816 57.392 58.100 0.179 0.000 1.053 593 Y CB 1.029 39.571 38.460 0.135 0.000 1.298 593 Y HN 0.443 nan 8.280 nan 0.000 0.459 594 S N 0.000 115.862 115.700 0.270 0.000 2.498 594 S HA 0.000 4.471 4.470 0.001 0.000 0.327 594 S CA 0.000 58.300 58.200 0.166 0.000 1.107 594 S CB 0.000 63.243 63.200 0.072 0.000 0.593 594 S HN 0.000 nan 8.310 nan 0.000 0.517